LIST OF PUBLICATIONS - BERNHARD RUPP

 

Journal Articles

Recent references available in EndNote® format

 

113

Antibody elbow angles are influenced by their light chain class. R.L. Stanfield, A. Zemla, I.A. Wilson and B. Rupp. J. Mol. Biology, submitted (2005).

112

Molecular modeling and virtual screening: In silico approaches to guide experiments in structure-based drug discovery and fundamental biochemistry. K. A. Kantardjieff and B. Rupp. Invited review. Springer, in press (2005)

111

Crystal structure of a putative pyridoxine 5'-phosphate oxidase (Rv2607) from Mycobacterium tuberculosis. J.-D. Pédelacq, B.-S. Rho, G.S. Waldo, C.-Y. Kim, T.P. Lekin, B.W. Segelke, B. Rupp, L.-W. Hung, S.-I. Kim, and T.C. Terwilliger. Protein Science, in press (2005)

110

Co-crystal structures of NC6.8 Fab identify key interactions for high potency sweetener recognition: Implications for the design of synthetic sweeteners.  K. Gokulan, S. Khare, D. Ronning, S.D. Linthicum, J.C. Sacchettini, and B. Rupp. Biochemistry 44: 9889-9898 (2005)

109

Automated High Throughput Drug Target Crystallography. B.Rupp. American Pharmaceutical Review (2005), in press

108

High throughput protein crystallography - a platform for structure guided drug discovery. Invited. B. Rupp. Trends in Drug Discovery 1 (2005):24-26

107

Automation and robotics in high throughput protein crystallography. B. Rupp. European Biopharm. Rev. 4 (2005).

106

Distributions of pI vs pH provide strong prior information for the design of crystallization screening experiments. K. A. Kantardjieff, M. Jamshidian and B. Rupp. Bioinformatics 20(14): 2171-2174 (2004)

105

Structure of pyrR (Rv1379) from Mycobacterium tuberculosis: A persistence gene and protein drug target. K.A. Kantardjieff, C. Vasquez, P. Castro, N. M. Warfel, B.-S. Rho, T. Lekin, C.-Y. Kim, B. W. Segelke, T. C. Terwilliger, B. Rupp.  Acta Crystallogr. D61: 355-364 (2005)

104

The crystal structure of Rv1347c, a putative antibiotic resistance protein from Mycobacterium tuberculosis, reveals a GCN5-related fold. G.L. Card, C.A. Smith, B. Rupp, B.M. Schick & E.N. Baker. J. Biol. Chem. 280:13978-13986 (2005). JBC paper of the week.

103

A guide to automation and data handling in protein crystallization. B. Rupp. In Crystallization Strategies for Structural Genomics, N. Chayen, Ed., International University Line (Spring 2005). 

102

Predictive models for protein crystallization. B. Rupp and J. Wang. Invited. Methods 34: 390-407 (2004)

101

Crystal Structure of C. Botulinum Neurotoxin Protease in a Product Bound State: Evidence for Non-Canonical Zinc Protease Activity. Segelke BW, Knapp M, Kadhkodayan S, Balhorn R, Rupp B. Proc. Natl. Acad. Sci. U.S.A. 101:6888-6893 (2004).

100

Mycobacterium  tuberculosis rmlC epimerase (Rv3465): a promising drug target structure in the rhamnose pathway. K.A. Kantardjieff, C.-Y. Kim, C. Naranjo, G.S. Waldo, T. Lekin, B.W. Segelke, A. Zemla, M.S. Park, T.C. Terwilliger and B. Rupp. Acta Crystallogr D 60: 895-902 (2004), Journal Cover.

99

Structural Bioinformatics Approaches to the Discovery of New Antimycobacterial Drugs. K. A. Kantardjieff and B. Rupp. Invited. Current Pharmaceutical Design 10 (26): 3195-3211 (2004), Journal Cover.

98

The TB structural genomics consortium: a resource for Mycobacterium tuberculosis biology. T.C. Terwilliger, M.S. Park, G.S. Waldo, J. Berendzen, L.-W. Hung, C.-Y. Kim, C.V. Smith, J.C. Sacchettini, M. Bellinzoni, R. Bossi, E. De Rossi, A. Mattevi, A. Milano, G. Riccardi, M. Rizzi, M.M. Roberts, A.R. Coker, G. Fossati, P. Mascagni, A.R.M. Coates, S.P. Wood, C.W. Goulding, M.I. Apostol, D.H. Anderson, H.S. Gill, D.S. Eisenberg, B. Taneja, S. Mande, E. Pohl, V. Lamzin, P. Tucker, M. Wilmanns, C. Colovos, W. Meyer-Klaucke, A.W. Munro, K.J. McLean, K.R. Marshall, D. Leys, J.K. Yang, H.-J. Yoon, B.I. Leel, M.G. Lee, J.E. Kwak, B.W. Han, J.Y. Lee, S.-H. Baek, S.W. Suh, M.M. Komen, V.L. Arcus, E.N. Baker, J.S. Lott, W. Jacobs Jr., T. Alber, and B. Rupp. Tuberculosis 83: 223-249 (2003)

97

Protein Isoelectric Point as a Predictor for Increased Crystallization Screening Efficiency. K. A. Kantardjieff and B. Rupp. Bioinformatics 20(14):  2162-2168 (2004)

96

Laboratory scale structural genomics. B.W. Segelke, J. Schafer, M.A. Coleman, T.P. Lekin, D. Toppani, K.J. Skowronek, K.A. Kantardjieff and B. Rupp. J. Struct. Funct. Genomics 5: 147-157 (2004)

95

High throughput protein crystallography. B.Rupp. In Structural Proteomics, Sundstrom, M., Norin, M.,  Edwards, A., Eds., CRC Press, 7/26/2005, ISBN: 0824753356

94

Crystal structure of Mycobacterium tuberculosis diaminopimelate decarboxylase, an essential enzyme in bacterial lysine biosynthesis. K. Gokulan, B. Rupp, M.S. Pavelka, Jr., W.R. Jacobs, Jr., and J.C. Sacchettini. J. Biol. Chem. 278(20):18588-18596 (2003)

93

Matthews coefficient probabilities: Improved estimates for unit cell contents of proteins, DNA, and protein-nucleic acid complex crystals. K. Kantardjieff  and B. Rupp. (Protein Science 12:1865-1871 (2003)

92

Maximum Likelihood Crystallization. B. Rupp. J. Struct. Biol. 142:162-169 (2003)

91

Effective electron density map improvement and structure validation on a Linux multi-CPU web cluster: The TB Structural Genomics Consortium Bias Removal Web Service. V. Reddy, S.Swanson, B. Segelke, K. A. Kantardjieff , J. C. Sacchettini and B. Rupp.  Acta Crystallogr. D59, 2200-2210 (2003)

90

High throughput crystallography at an affordable cost: The TB structural genomics crystallization facility. B.Rupp. Invited, Accounts of Chemical Research 36:173-181 (2003)

89

High resolution crystal structure of ferricytochrome c’ from Rhodobacter sphaeroides. L. Ramirez, H. Axelrod, S. Herron, B. Rupp, J. Allen and K. Kantardjieff. J. Chem. Cryst. 33:413-424 (2003)

88

Crystallography quo vadis? K.Kantardjieff and B.Rupp. Zeitschrift für Kristallographie 217(8) : 328-329 (2002)

87

The TB Structural Genomics Consortium: Providing a Structural Foundation for Drug Discovery. Goulding C.W., Apostol M., Anderson D.H., Gill S.D., Smith C.V., Yang  J.K., Waldo J.S., Suh S.W., Chauhan R.,  Kale A., Bachhawat A., Mande S.C., Johnston J.M., Baker E.N., Arcus V.L., Leys D., McLean K.J., Munro A.W., Berendzen J.,  Park M.S., Eisenberg D., Sacchettini J., Alber T., Rupp B., Jacobs W. Jr., Terwilliger T.C. Current Drug Targets - Infectious Disorders 2 : 121-141 (2002) .

86

The TB Structural Genomics Consortium Crystallization Facility: Towards automation from protein to electron density. B. Rupp, B. W. Segelke, H. I. Krupka, T. Lekin, J. Schafer, A. Zemla, D.Toppani, G. Snell and T.Earnest. Acta Crystallographica D58 : 1514-1518 (2002).

85

The High-speed Hydra-Plus-One System for automated High-Throughput Protein Crystallization. H. I. Krupka, B. Rupp, B. W. Segelke, T.P. Lekin, D. Wright, H.-C. Wu, P. Todd and A. Azarani.  Acta Crystallographica D58 : 1523-1526 (2002)

84

ApoE4 forms a molten globule state: A potential basis for its association with disease. JA Morrow, B. Lu, P. Hoechtl, KA Oberg, B. Rupp and K. Weisgraber. J. Biological Chem. 277(52):50380-50385 (2002).

83

Making sense of structural biology. B. Rupp. Trends in Biochemical Sciences 27(4):215 (2002).

82

Concanavalin in a dimeric crystal form: revisiting structural accuracy and molecular flexibility. K.Kantardjieff, P.Höchtl, B.Segelke, F.-M. Tao and B.Rupp. Acta Crystallogr D58:735-743 (2002)

81

Questions about the structure of the botulinum neurotoxin B light chain in complex with a target peptide. B. Rupp and B.Segelke. Nature Structural Biology 8 (8):663-664 (2001)

80

Structural Basis for Abrogated Binding Between Staphylococcal Enterotoxin A Superantigen Vaccine and MHC-II alpha. Krupka HI, Segelke BW, Ulrich RG, Ringhofer S, Knapp M. and Rupp B. Protein Science 11:642-651 (2002)

79

Interaction of the N-Terminal Domain of Apolipoprotein E4 with Heparin. J. Dong, C. Peters-Libeu, K. H. Weisgraber, B. W. Segelke, B.Rupp, I. Capila, M.J. Hernáiz, L.A. LeBrun, R.J. Linhardt. Biochemistry 40(9):2826-34 (2001)

78

Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism. Beernink PT, Segelke BW, Hadi M., Erzberger JP, Wilson DM and Rupp B. J. Mol. Biol. 307(4):1023-1034 (2001)

77

Three-Dimensional Theory of Emittance in Compton Scattering and X-ray Protein Crystallography. F.V. Hartemann, H.A. Baldis, A. K. Kerman, A. Le Foll, N.C. Luhmann, Jr,  and B. Rupp. Phys Rev E 64: 16501 (2000)

76

Structure of Polyglutamine. Altschuler EL, Hud NV, Mazrimas JA, Rupp B. FEBS Letters 472:166-168 (2000)

75

Differences in stability among the human apolipoprotein E isoforms are determined by the amino-terminal domain. JA Morrow, ML Segall, S Lund-Katz, MC Phillips, M Knapp, B Rupp, KH Weisgraber, Biochemistry 39(38):11657-66 (2000)

74

Cloning, expression, and one-step purification of the minimal essential Domain of the light chain of botulinum neurotoxin type A. S.Kadhkodayan, M.Knapp, J.Schmitt, S.Fabes, B.Rupp and R.Balhorn, Protein Expr Purif  19(1):125-130 (2000)

73

Conformational flexibility in the Apolipoprotein E amino-terminal domain structure determined from three new crystal forms : Implication for lipid binding. Brent W. Segelke, M. Forstner, M.Knapp. S.Trakhanov, S.Parkin, Y.Newhouse, H.D.Bellamy, K.H.Weisgraber and B.Rupp. Protein Science 9(5):886-97 (2000)

72

Binding of an Antibody Mimetic of the Human Low Density Lipoprotein Receptor is Governed through Electrostatic Forces. R.Raffaii, K.Weisgraber, R.MacKenzie, B.Rupp, E.Rassart, T.Hirama, TL Innerarity and R.Milne, Journal of Biological Chemistry  275(10):7109-7116 (2000)

71

Carboxyl-Terminal Domain Of Human Apo-Lipoprotein E: Expression, Purification And Crystallization. M.Forstner, C.Peters-Libeu, E.Contreras, Y.Newhouse, M.Knapp, B.Rupp and K.Weisgraber,  Protein Expr Purif 17 (2), 267-272 (1999)

70

Isolation and Crystallization of the Distal BRCT Domain of the Human XRCC1 DNA Repair Protein. K.Thornton, M.Forstner, M.R.Shen, MG West, B.Rupp and MP Thelen, Protein Expr Purif 16, 236-242 (1999)

69

Cadmium induced crystalization of proteins : II. Crystallization of the Salmonella typhimurium Histidine binding protein in complex with L-histidine, L-arginine or L-lysine,  S. Trakhanov, D.L.Kreimer, S.Parkin, G. F.-L. Ames and B.Rupp, Protein Science 7, 600-604 (1998)

68

Crystal structure of a monoclonal 2E8 Fab antibody fragment specific to the low density lipoprotein receptor binding region of Apolipoprotein E refined at 1.9 Å. S. Trakhanov, S.Parkin, R.Raffai, R.Milne, Y.Newhouse, K. Weisgraber and B.Rupp, Acta Cryst D 55, 122-128 (1999).

67

Random Coil Conformation for Extended Polyglutamine Stretches in Aqueous Soluble Peptides, E. L. Altschuler, N. V. Hud, J. A. Mazrimas and B. Rupp, Journal of Peptide Research 50 , 73 (1997)

66

Novel mechanism for defective receptor binding of apolipoptotein E2 in type-III hyperlipoproteinemia,  Li-Ming Dong, Sean Parkin, B.Rupp, K.S.Arnold, Y.M.Newhouse, T.Simmons, T.L.Innerarity and K.H.Weisgraber, Nature Structural Biology 3(8), 718 (1996)

65

Atomic resolution structure of Concanavalin A at 120K,  Sean Parkin,  B.Rupp and H.Hope, Acta Crystallogr. D52 ,  1161 (1996)

64

Crystallization of the Aa - subunit of protein phosphatase 2A, M.O.Skidmore, M.R.Sawaya, S.Parkin, B.Rupp, H.Hope, S.J.Everese and G.Walter, Protein Science 5 (6), 1198 (1996)

63

Crystallization And Preliminary X-Ray Analysis Of Two New Crystal Forms Of Calmodulin, B.Rupp, D.Marshak and S.Parkin, Acta Crystallogr. D 52, 411 (1996)

62

The Structure of Bovine Pancreatic Trypsin Inhibitor (BPTI) at  125K: Definition Of Carboxyl-Residues Glycine-57 And Alanine-58,  S.Parkin, B.Rupp and H.Hope,  Acta Crystallogr. D 52, 18-29 (1996)

61

A Helium Flushed Beam Tunnel, S. Parkin and B.Rupp, J.Appl.Crystallogr. 28, 243 (1995)

60

The combustion synthesis of the ferroelectric material BaTiO3 studied by time-resolved X-ray diffraction. Larson EM, Wong J, Holt JB, Waide PA, Rupp B. Powder Diffraction 14(2):111-113 (1999)

59

SEXIE 3.0 - an updated Microcomputer Program for the Calculation of Coordination Shells and Geometries, Anne Tabor-Morris and B.Rupp, Comp.Phys.Commun.  82, 23 (1994)

58

Cerium Moment Collapse in Ternary Silicides CePd2-xMnxSi2 , B.Rupp, Phys.Rev.B 49 (17), 12278 (1994)

57

Crystal Chemistry and Magnetism of Ternary Actinoid Boron Carbides UB1-xCx and U1-xMxB2C with M=Sc,Lu and Th, P.Rogl, B.Rupp, I.Felner and P.Fischer, J.Sol. State Chem. 103, 5665 (1993)

56

Characterization of the LiSr(Al,Cr)F6 Solid Solution for Cr-Laser Applications, W.L.Kway, B.Rupp and J.B.Tassano, J.Crystal Growth128, 1036 (1993)

55

Chromium site specific chemistry and crystal structure of LiCaCrF6 and related chromium doped Laser materials B.Rupp, W.L.Kway, J.Wong, P.Rogl and P.Fischer J.Sol.State Chem. 107, 471 (1993)

53

The Calculation and Analysis of the Adiabatic Temperature of Solid Combustion Reactions, B.Rupp, J.B.Holt and Joe Wong, Calphad 16, 377 (1992)

52

The Solid Combustion Synthesis of small REBa2Cu3Ox samples (RE = Y, Er), B.Rupp, J.Wong, J.B.Holt and P.Waide, J. Alloys and Compounds 209, 25 (1994)

51

A Time Resolved Diffraction Study of the Ta - C Solid Combustion System, E.M.Larson, J.B.Holt, J.Wong, P.A.Waide, G.Nutt, B.Rupp and L.Terminello, J.Mater.Res. 8, 1533 (1993)

50

Time-Resolved Diffraction Studies of Fast Solid Combustion Reactions at High Temperatures, J.Wong, E.M.Larson, J.B.Holt, P.A.Waide, B.Rupp, R.Frahm and G.L.Nutt, Proc. Conference on Synchrotron Radiation and Dynamic Phenomena, Grenoble, France (1992)

49

Real Time Probe of Reaction Centers in Solid Combustions by QEXAFS on the Subsecond Time Scale, R.Frahm, J.Wong, J.B.Holt, E.M.Larson, B.Rupp and P.A.Waide, Jpn. J. Appl. Phys. 32 (2), 185 (1992)

48

Solid Combustion Reactions Characterized by Time-Resolved X-Ray Absorption Spectroscopy, R.Frahm, J.Wong, J.B.Holt, E.M.Larson, B.Rupp and P.A.Waide, Proc. Conference on Synchrotron Radiation and Dynamic Phenomena, Grenoble, France, (1992)

47

Real-time Probe of Reaction Centers in Solid Combustions by QEXAFS on the Subsecond Time Scale, R.Frahm, J.Wong, J.B.Holt, E.M.Larson, B.Rupp and P.A.Waide, Phys. Rev. B 46, 9205 (1992)

46

SEXIE - a Microcomputer Program for the Calculation of Coordination Shells and Geometries, B.Rupp, B.Smith and Joe Wong, Comp. Phys. Commun. 67, 543 (1992)

45

Time Resolved Studies of Fast Solid Combustion Reactions at High Temperature, J.Wong, E.M.Larson, J.B.Holt, P.A.Waide, B.Rupp and R.Frahm, Proceedings XAFS VI Conference, Aug. 5-11, York, UK (1990)

44

A Microcomputer Program for the Calculation of Coordination Shells and Geometries, B.Rupp, B.Smith and Joe Wong, J.Appl.Cryst. 24, 263 (1991)

43

Time Resolved Diffraction Study of Solid Combustion Reactions using Synchrotron Radiation, J.Wong, E.M.Larson, J.B.Holt, P.A.Waide, B.Rupp and R.Frahm, Science 249, 1906 (1990)

42

A New Experimental Approach to Study Solid Combustion Reactions Using Synchrotron Radiation, J.B.Holt, J.Wong, E.M.Larson, P.Waide, B.Rupp and R.Frahm, Presented at 'The First US-Japanese Workshop on Combustion Synthesis', January 11-12, Ibaraki, Japan (1990)

41

Strengths and limitations of physical methods in surface characterization of biomaterials. (Möglichkeiten und Grenzen moderner physikalischer Methoden in der Oberflächencharakterisierung biokompatibler Implantat-Materialien), B.Rupp, P.Hotz and F.Tuppy, Z.Stomatologie 88(7), 337-356 (1991)

40

Environmental Effects on the X-ray Line Profiles of Fatigued Low Alloy Steel, H.J.Maier and B.Rupp, Scripta Metall. 24(2), 353 (1990)

39

Structure of ErBa2Cu3Ox in the Composition Range 6.1 < x < 7.0 , E.Pörschke, P.Meuffels and B.Rupp, MRS Symposion Proceedings 166, Neutron Diffraction for Materials Science, S.M.Shapiro, S.C.Moss and J.D.Jorgensen, Eds., Boston, MA, (1989)

38

Magnetic structure of Cu in Antiferromagnetic REBa2Cu3Ox, H.Lütgemeier, R.A.Brand, Ch.Sauer, B.Rupp, P.M.Meuffels and W.Zinn, M2S-HTSC Conference, Stanford, CA, July 23-28, 1989, Physica C 162-164, 1367 (1989)

37

Non-Superconducting and rendered Superconducting YBa2Cu3Ox: an in situ study, B.Dauth, P.Sen, B.Rupp, W.Gudat, Ch.Ziegler and W.Göpel, Z.Phys.B 79 169 (1990)

36

Charge redistribution in the CuO2-planes in ErBa2Cu3Ox determined by Neutron Crystal-Field Spectroscopy, P.Allenspach, A.Furrer and B.Rupp, Proc. Int. Seminar on HTSC, Dubna, USSR, in: Progress in High Temp. Supercond. 21, 318 (1989) V.L.Ashkenov, N.N.Bogolubov, N.M.Plakida, Eds., World Scientific Publishing Co, Singapore (1989)

35

On the correlation of secondary structural effects, superconductivity and crystal field interaction in ErBa2Cu3Ox  - new evidence for a charge transfer mechanism? B.Rupp, P.Allenspach, P.Fischer and A.Furrer M2S-HTSC Conference, Stanford, CA, July 23-28, 1989, Physica C 162-164, 538 (1989)

34

Oxygen-vacancy induced changes of the Crystal Field Interaction in ErBa2Cu3Ox determined by Inelastic Neutron Scattering, P.Allenspach, A.Furrer, B.Rupp and H.Blank, Physica C 161, 671 (1989)

33

Neutron Diffraction Study of ErBa2Cu3Ox in the Concentration Range 6.1<x<7.0, B.Rupp, E.Pörschke, P.Meuffels, P.Fischer and P.Allenspach, Phys.Rev.B 40, 4472 (1989)

32

On the Suppression of Superconductivity in ErBa2Cu3Ox , H.Maletta, E.Pörschke, B.Rupp and P.Meuffels, Z. Phys.B (Condensed Matter) 77, 181 (1989)

31

CHIPLOT - NLLSQ Refinement for Paramagnetic Data, B.Rupp, Scripta Metall. 22, I (1988)

30

XLAT - Least Squares Refinement of Cell Constants, B.Rupp, Scripta Metall. 22, I (1988)

29

Photoemission from Y-Ba-Cu-O Samples: Normal and Rendered Superconducting in Situ: A Comperative Study, B.Dauth, P.Sen, B.Rupp, Ch.Ziegler, W.Göpel and W.Gudat, presented at VIII. Gen.Conf.of Cond. Matter Div. of the EPS, Budapest (1988)

28

Observation of Antiferromagnetic Order in YBa2Cu3O6.15 by Cu NQR, H.Lütgemeier and B.Rupp, Int. Conference on Magnetism (ICM 88), Paris, Jul. 25-29, 1988, J. de Physique 49(C8), 2147 (1988)

27

The Sign of the Elextric Field Gradient in Semiconducting and Grain Oriented High-Tc YBa2(Cu1-x57Fex)3Oy by Mössbauer Spectroscopy , R.A.Brand, Ch.Sauer, H.Lütgemeier, B.Rupp and W.Zinn, Physica C 156, 539 (1988)

26

Mössbauer Studies of the EFG in Semiconducting and Grain Oriented High-Tc YBa2(Cu1-x57Fex)3Oy, R.A.Brand, Ch.Sauer, H.Lütgemeier, B.Rupp and W.Zinn, Int. Conference on Nuclear Methods in Magnetism, Munich, Aug. 1-4, 1988, Hyperfine Interact. 50, 541 (1989)

25

Role of Cu in High-Tc Superconductors: A Photoemission Study, P.Sen, B.Dauth, T.Kachel, B.Rupp and W.Gudat, M2S-HTSC Conference, Interlaken, Switzerland, Feb. 28 - March 4, 1988, Physica C 153-155, 153 (1988)

24

Temperature dependent X-Ray Photoemission of Ceramic High-Tc Superconductors and related Systems, T.Kachel, P.Sen, B.Dauth, B.Rupp and W.Gudat, 52. Physikertagung der Deutschen Physikalischen Gesellschaft, Karlsruhe, FRG, Mar.14-18, 1988, Verh. Dtsch. Phys. Ges. 23(4), TT3.3 (1988)

23

NMR and NQR in High - Tc Superconductors, H.Lütgemeier, B.Rupp, H.Riesemeier, K.Lüders and V.Müller, 52. Physikertagung der Deutschen Physikalischen Gesellschaft, Karlsruhe, FRG, Mar.14-18, 1988, Verh. Dtsch. Phys. Ges. 23(4), TT7.14 (1988)

22

Quadrupole Coupling in Superconducting and Semiconducting YBa2Cu3O6.39 and GdBa2Cu3O6.39, H.Lütgemeier, M.W.Pieper, W.Böhner, U.Köbler, J.Hauck, K.Fischer, F.Zucht, B.Rupp and H.Ebert, M2S-HTSC Conference, Interlaken, Switzerland, Feb. 28 - March 4, 1988, Physica C 153-155, 731 (1988)

21

Neutron Diffraction Study of Highly Oxygen Deficient Superconducting YBa2Cu3O6.39 , B.Rupp, P.Fischer, E.Pörschke, R.R.Arons and P.Meuffels , Physica C 156, 559 (1988), Research Article

20

Physical and Structural Properties of YBa2Cu3Ox prepared by a Defined Oxygen Sorption Procedure, P.Meuffels, B.Rupp and E.Pörschke, Physica C 156, 441 (1988)

19

Physical Properties and Structural Chemistry of YBa2Cu3Ox prepared by a Defined Oxygen Sorption Procedure, P.Meuffels, B.Rupp and H.Wenzl, Int. Disc. Meeting on High-Tc Supercond., Mauterndorf, Austria, Feb. 1988, High-Tc Superconductors (Ed. H.W.Weber), p.67-73, Plenum Publishing, N.Y., (1988)

18

Magnetic Interactions in High Tc Superconductors and Related Oxides, H.R.Ott, P.Birrer, F.G.Gygax, B.Hitti, E.Lippelt, A.Schenck, M.Weber, S.Barth, F.Hulliger, P.Allenspach, S.-W.Cheong, P.Fischer, Z.Fisk, A.Furrer and B.Rupp, Strong Correlations and Superconductivity, Springer Series in Solid State Science 89, 329; H.Fukuyama, S.Maekawa, A.P.Malozemoff, Eds., (1989)

17

Magnetic Properties and Antiferromagnetic Cu Ordering in Pr2CuO4 , P.Allenspach, S.-W. Cheong, A. Dommann, P. Fischer, Z. Fisk, A. Furrer, H.R. Ott, and B.Rupp, Z.Phys.B (Condensed Matter) 77, 185 (1989)

16

Crystal Chemistry and Magnetism of Ternary Actinoid Boron Carbides UB1-xCx and U1-xMxB2C with M=Sc,Lu and Th, P.Rogl, B.Rupp, I.Felner and P.Fischer, J.Sol. State Chem. 103, 5665 (1993)

15

Magnetic and Specific Heat Measurements of Alloys CePd2-x+yMnxSi2-y , B.Rupp, P.Rogl, N.Pillmayer, G.Hilscher, G.Schaudy and I.Felner, Phys.Rev.B 41, 9315 (1990)

14

Magnetism and Structural Chemistry of Ternary Borides RECo2B2, B.Rupp, P.Rogl and F.Hulliger, J.Less-Common Met. 135, 113 (1987)

13

Magnetic Behavior of NdCo4B4-type Ternary Borides, B.Rupp, P.Rogl and R.Sobczak, Mat.Res.Bull. 14, 1301 (1979)

12

Phase Relations and Hydrogen Absorption of Nd-Fe-B Alloys B.Rupp, A.Resnik, D.Shaltiel and P.Rogl, J.Mat.Sci. 23, 2133 (1988)

11

Magnetic and Structural Properties of a Novel Ternary Hydride: Nd2Fe17Hx (0<x<5), B.Rupp and G.Wiesinger, J.Mag.Magn.Mater. 71, 269 (1988)

10

Hydrogen Absorption and Phase Relations of Nd-Fe-B Alloys, B.Rupp, A.Resnik, D.Shaltiel and P.Rogl, Proc. IX. Int. Symp. on Boron, Borides and Related Compounds, Duisburg, FRG (1987)

9

Surface Study on Thin Layers of Oxidized Titanium Iron Alloys as Semiconducting Photoelectrodes for the Production of Hydrogen B.Rupp, R.Brener, K.J.Hartig and J.Hauck, V. Int. Symp. on the Properties and Applications of Metal Hydrides, Maubuisson, France, 1986, J.Less-Common Met. 130, 529 (1987)

8

Diffraction Study of Thin Oxidized Titanium Iron Alloys as Semiconducting Photoelectrodes for Production of Hydrogen, B.Rupp, Mat.Res.Bull. 21, 1195 (1986)

7

Electrochemical Properties of Thin Layers of Oxidized Ti-Fe Alloys as Semiconducting Photoelectrodes, K.J.Hartig, A.Erm and B.Rupp, VI. Int. World Hydrogen Conf., Vienna, Austria, Hydrogen Energy Progress 6(2), 531 (1986)

6

Nuclear Magnetic Resonance and Magnetization Studies in Ti4-xFe2+x OyHx ; M.Stioui, A.Resnik, M.Reshotko, A.Grayevsky, D.Shaltiel, N.Kaplan and B.Rupp, J.Less-Common Met. 141(2), 177 (1988)

5

Reinvestigation of the Oxygen Stabilized Ti2Ni- Type Phase Ti4-xFe2+x Oy by Neutron Diffraction, B.Rupp and P.Fischer, J.Less-Common Met. 144, 275 (1988)

4

A Neutron Diffraction Study of the -Phase Ti9Fe3O3H7, P.Rogl, B.Rupp, P.Fischer and G.Wiesinger, J.Less-Common Met. 113, 103 (1985)

3

A new Ti-Fe-O Hydride Phase: -Ti9Fe3O3H7, B.Rupp and E.Tuscher, J.Less-Common Met. 104, L1 (1984)

2

Magnetic Properties of Ternary Oxides Ti4-xFe2+x Oy and their Corresponding Hydrides, B.Rupp and G.Wiesinger, IV. Int. Symp. on the Properties and Applications of Metal Hydrides, Eilat, Israel, 1984, J.Less-Common Met. 104, 65 (1984)

1

Activation Behavior of Ternary Oxides Ti4-xFe2+x Oy , B.Rupp, IV.Int.Symp.on the Properties and Applications of Metal Hydrides, Eilat, Israel, 1984, J.Less-Common Met. 104, 51 (1984)

 

 

Crystallographic Data Base Entries (PDB and ICDD)

49

Co-crystal structures of NC6.8 Fab identify key interactions for high potency sweetenerrecognition: Implications for the design of synthetic sweeteners. K. Gokulan, S.Khare, D. Ronning, S.D. Linthicum, J.C. Sacchettini, and B. Rupp. Structure of NC6.8-SC45647 complex. Entry 1YNK (2005)

48

Co-crystal structures of NC6.8 Fab identify key interactions for high potency sweetenerrecognition: Implications for the design of synthetic sweeteners. K. Gokulan, S.Khare, D. Ronning, S.D. Linthicum, J.C. Sacchettini, and B. Rupp. Structure of NC6.8-TEScomplex. Entry 1YNL (2005)

47

The crystal structure of Rv1347c, a putative antibiotic resistance protein from mycobacterium tuberculosis, reveals a GCN5-related fold and suggests an alternative function in siderophore biosynthesis. G.L. Card, C.A. Smith, B. Rupp, B.M. Schick & E.N. Baker. J. Biological Chem. 280(14): 13978-13986 (2005). JBC paper of the week, April 2005. Entry 1YK3 (2005)

46

Mycobacterium tuberculosis PyrR as a potential drug target structure. K. A. Kantardjieffstext,etextbb B.-S. Rho, T. Lekin, C.-Y. Kim, B. W. Segelke, T. Terwilliger and etext B.Rupp. Protein Data Bank Entry 1W30 (2004)

45

Mycobacterium  tuberculosis rmlC epimerase (Rv3465): a promising drug target structure in the rhamnose pathway. KA Kantardjieff, C-Y Kim, C Naranjo, GS  Waldo, T Lekin, BW Segelke, A Zemla, MS Park, TC Terwilliger and etextB.Rupp. Protein Data Bank Entry 1UPI  (2003)

44

LysA from TB complexed with PLP and Lysine. K.Gokulan, J.Sacchettini, and B.Rupp. Protein Data Bank Entry 1HKV (2003)

43

LysA from TB complexed with Lysine. K.Gokulan, J.Sacchettini, and B.Rupp. Protein Data Bank Entry 1HKW (2003)

42

ApoE3 K146E mutant structure. B.Rupp, C.Peters-Libeu, J.Verderame. Protein Data Bank Entry 1EA8 (2001)

41

ApoE3 K146Q mutant structure. B.Rupp, C.Peters-Libeu, J.Verderame. Protein Data Bank Entry 1H7I (2001)

40

New insights on the flexibility and domain librations in Calmodulin, M.Wilson and B.Rupp. Protein Data Bank Entry 1UP5 (2003)

39

A new crystal form of Apoliporotein E4. J.Verderame, K.Kantradjieff, B.Segelke, K.Weisgraber and B.Rupp. Protein Data Bank Entry 1GS9 (2001)

38

Cytochrome C’ from Rhodobacter Spheroides. K,Kantardjieff, H. Axelrod, J.Allen and B.Rupp. Protein Data Bank Entry 1GQA (2001)

37

Concanavalin in a dimeric crystal form : revisiting structural accuracy and molecular flexibility. K.Kantardjieff,  P.Höchtl, B.Segelke, F.-M. Tao and B.Rupp. Protein Data Bank Entry 1GKB (2001), new refinement, supercedes 1E0I

36

Apolipoprotein E3 22Kd Fragment Lys146Gln Mutant. J.Verderame, C. Peters-Libeu, K.Kantardjieff,, K.Weisgraber and B.Rupp. Protein Data Bank Entry 1H7I (2001)

35

Apolipoprotein E3 22Kd Fragment, Lys146Glu Mutant. J.Verderame, C. Peters-Libeu, K.Kantardjieff,, K.Weisgraber and B.Rupp. Protein Data Bank Entry 1EA8 (2001)

34

Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism.. P.T.Beerning, B.Segelke, and B.Rupp. Protein Data Bank Entry 1HD7 (2000)

33

Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism.. P.T.Beerning, B.Segelke, and B.Rupp. Protein Data Bank Entry 1E9N (2000)

32

Crystal structure of recombinant Botulinum neurotoxin type A light chain, a self inhibiting Zn Endopeptidase. M.Knapp and B.Rupp. Protein Data Bank Entry 1E1H (2000)

31

Concanavalin A in a dimeric crystal form at 1.6 Å. P.Höchtl and B.Rupp. Protein Data Bank Entry 1E0I (2000)

30

Staphylococcal Enterotoxin A mutant superantigen vaccine at 1.54 Å. Protein Data Bank Entry 1DYQ (2000)

29

Apolipoprotein E4 at 1.8 A. Clare Peters-Libeu and Bernhard Rupp. Protein Data Bank Entry 1B68 (1999)

28

Structure Determination of ApoE3 in Three New Crystal Forms by MAD or Molecular Replacement Techniques. Bernhard Rupp and Brent Segelke. Protein Data Bank Entry 1OR3 (1999)

27

Structure Determination of ApoE3 in Three New Crystal Forms by MAD or Molecular Replacement Techniques. Bernhard Rupp and Brent Segelke. Protein Data Bank Entry 1OR2 (1999)

26

Structure Determination of ApoE3 in Three New Crystal Forms by MAD or Molecular Replacement Techniques. Bernhard Rupp and Brent Segelke. Protein Data Bank Entry 1BZ4 (1998)

25

The crystal structure of the ganglioside-binding  C-terminal fragment of Clostridium tetani at 1.6 Å. :  solving the phase problem with combined MAD and MIR. M.Knapp, B.Segelke and B.Rupp. Protein Data Bank Entry 1A8D (1998)

24

Crystal structure of a monoclonal 2E8 Fab antibody fragment specific to the low density lipoprotein receptor binding region of Apolipoprotein E refined at 1.9 Å. B.Rupp and S.Trakhanov, Protein Data Bank Entry 12E8 (1998)

23

Apolipoptotein E2 (Asp154Ala mutation), in type-III hyperlipoproteinemia, Sean Parkin and B.Rupp, Protein Data Bank Entry 1NFO (1996)

22

Apolipoprotein E3 (22kD receptor binding domain) at 1.8 A, Sean Parkin and B.Rupp. Protein Data Bank Entry 1NFN, (1996)

21

Atomic resolution structure of Concanavalin A at 120K,  Sean Parkin,  B.Rupp and H.Hope. Protein Data Bank Entry 1JBC (1996)

20

The Structure Of Bovine Pancreatic Trypsin Inhibitor,  S.Parkin, B.Rupp, H.Hope. Protein Data Bank Entry 1BPI (1995)

19

ASTM Powder Diffraction File Entry  48-1647 : LiSrGaF6 , PDF 48, 164 (1998)

18

ASTM Powder Diffraction File Entry  48-1640 : LiSrAlF6 , PDF 48, 164 (1998)

17

ASTM Powder Diffraction File Entry  48-1641 : LiSrAl0.8Cr0.2F6 , PDF 48, 164 (1998)

16

ASTM Powder Diffraction File Entry  48-1642 : LiSrAl0.6Cr0.4F6 , PDF 48, 164 (1998)

15

ASTM Powder Diffraction File Entry  48-1643 : LiSrAl0.4Cr0.6F6 , PDF 48, 164 (1998)

14

ASTM Powder Diffraction File Entry  48-1644 : LiSrAl0.2Cr0.8F6 , PDF 48, 164 (1998)

13

ASTM Powder Diffraction File Entry  48-1645 : LiSrAl0.94Cr0.06F6 , PDF 48, 164 (1998)

12

ASTM Powder Diffraction File Entry  48-1646 : LiSrCrF6 , PDF 48,1646 (1998)

11

ASTM Powder Diffraction File Entry  39-1313 : ErCo2B2 , PDF 39, 1313 (1989)

10

ASTM Powder Diffraction File Entry  39-1312 : HoCo2B2 , PDF 39, 1312 (1989)

9

ASTM Powder Diffraction File Entry  39-1311 : SmCo2B2 , PDF 39, 1311 (1989)

8

ASTM Powder Diffraction File Entry  39-1310 : NdCo2B2 , PDF 39, 1310 (1989)

7

ASTM Powder Diffraction File Entry  39-1309 : PrCo2B2 , PDF 39, 1309 (1989)

6

ASTM Powder Diffraction File Entry  39-1308 : CeCo2Si2 , PDF 39, 1308 (1989)

5

ASTM Powder Diffraction File Entry  39-1307 : CeCoSi3 , PDF 39, 1307 (1989)

4

ASTM Powder Diffraction File Entry  39-1306 : Nd2Fe17H4.8 , PDF 39, 1306 (1989)

3

ASTM Powder Diffraction File Entry  36-1387 : k-Ti3FeOH2.3 , PDF 36, 1387 (1986)

2

ASTM Powder Diffraction File Entry  36-1386 : b-Ti4FeH8.5 , PDF 36, 1386 (1986)

1

ASTM Powder Diffraction File Entry  36-1385 : h-Ti2FeO0.2H2.8 , PDF 36, 1385 (1986)

 

Patents and Records of Invention

16

Automated macromolecular crystallization screening. BW Segelke, H.I Krupka and B Rupp. (2003), WTO international patent application filed

15

Automated macromolecular crystal detection system and method. AT Christian, BW Segelke, D Toppani and B.Rupp. US patent application filed May 2003.

14

Augmented Automated Macromolecular Crystal Detection From Light Microscopy Images. AT Christian, BW Segelke, D Toppani and B.Rupp. Record of Invention IL-11022 (2002).

13

Automated macromolecular crystallization screening. BW Segelke, HI Krupka and B Rupp. Record of Invention IL-10986 (2002), US patent 6,860,940 (2005)

12

A compact Peltier driven protein sample cooling system with standard SBS footprint. B.Rupp, H.Krupka, D.Noecker. Record of Invention, Case No. IL-10920 (2001)

11

Protein Crystallography PreScreen Kit. H.Krupka, B.Segelke, B.Rupp. Record of Invention, Case No. IL-10922 (2001), US patent application filed

10

Ring Femtosecond Laser-Electron X-ray Source. Hartemann FV, Baldis HA, Barty C, Gibson DJ and Rupp B.  US patent 6,724,782 B2 (2004) 

9

Ring Femtosecond Laser-Electron X-ray (ReFLEX) Source. Hartemann FV, Baldis HA, Barty C, Gibson DJ and Rupp B.  Invention Case No. IL-10882 (2001)

8

Sample containment slide for 24 well plates for vapor diffusion protein crystallization, Emily A. Quinnan and B.Rupp, Invention Case No. IL-10594 (1999)

7

Automated comprehensive high throughput screening and diffraction analysis of protein crystals, B.Rupp and Brent Segelke, Invention record No. IL-10290 (1998).

6

System and Method for forming synthetic protein crystals to determine the conformational structure by crystallography, G.Craig, R.Glass and B.Rupp, U.S. Patent  5,597,457 (1997)

5

Microelectrocrystallization of Proteins, Invention Case No. IL-9801, G.Craig, R.Glass and B.Rupp (1995)

4

A helium flushed X-ray Beam Collimator, Invention Case No. IL-9618, B.Rupp and Sean Parkin (1994)

3

Electrorheological Crystallography, G. Craig and B.Rupp, U.S. Patent 5,525,198 (1996)

2

Electrorheological Crystallography, Invention Case No. IL-9474, G. Craig and B.Rupp (1994)

1

Crystal Garage, Invention Case No. IL-9442, George Craig and B.Rupp (1993)

 

Recent Presentations

80

Teaching biomolecular crystallography: A holisitc approach. B. Rupp. Invited. 229th Annual Meeting of the American Chemical Society, March 15-17, 2005, San Diego, CA.

79

Experimental and in silico approaches to structure guided design of antimycobacterialdrugs. B.Rupp. Invited. XVII Meeting of the SBCr, Feb 22-Feb 26, 2005, Campinas, Brazil.

78

Automation and data handling in protein crystallization. B. Rupp. Keynote. ProteinCrystallography in Drug Discovery, Jan 17-18, 2004, San Francisco, USA.

77

High throughput protein crystallography - a platform for structure guided drug discovery. Invited. B. Rupp. Nov. 29, 2004, UMIT Innsbruck, Austria.

76

Automation, process integration, and data handling in structural proteomics. B. Rupp. Invited. Laboratory Automation Europe, Nov. 16-17, 2004, Olympia Conference Centre, London, UK.

75

Drug target crystallography for structure based drug design. B. Rupp. Invited. Symposium Strukturbiologie, Universität Salzburg, Austria, July 15-16, 2004

74

Protein crystallization in the year twenty-two AM: What have we learned from high throughput crystallization and structural genomics we did not know before? B. Rupp. Invited, Fankuchen Award Session, American Crystallographic Association Annual Meeting, July 17 to July 22, 2004.

73

When Less is More: Teaching Crystallography to Bioscientists. B. Rupp. Invited, Teaching Advanced Crystallography Session, American Crystallographic Association Annual Meeting, July 17 to July 22, 2004.

72

Designing More Efficient Crystallization Screening Experiments: Consider Protein Isoelectric Point. K. A. Kantardjieff and B. Rupp. American Crystallographic Association Annual Meeting, July 17 to July 22, 2004.

71

High Resolution Crystal Structures of the C-Fragment of Tetanus Toxin Heavy Chain. M. Shen, K.A. Kantardjieff, B. Segelke, M. Knapp, and B. Rupp. American Crystallographic Association Annual Meeting, July 17 to July 22, 2004.

70

Efficient sub-microliter, high throughput protein crystallization screening with a 96-tip, contactless microsolenoid dispenser. B Rupp, BW Segelke, T Lekin, D Toppani, M Cornett, C Storms, J Johnson. Invited. Protein Crystallography in Drug Discovery, 30-31 March 2004 Boston, MA, USA

69

Structure of pyrR (Rv1379) from Mycobacterium tuberculosis: A persistence gene and protein drug target. C. Vasquez, K.A. Kantardjieff, B-S. Rho, T. Lekin, C.Y. Kim, B.W. Segelke, T. Terwilliger, B. Rupp. 16th Annual CSUPERB Biotechnology Symposium. Proteomics and Plumbing the Proteome: Innovations and Solutions in the Molecular Life Sciences and Medicine. Jan 16-18, 2004, San Jose, CA.

68

Challenges in automated high throughput protein crystallization and crystallization data analysis. B.Rupp. Invited. EMBL Outstation Hamburg, Dec 03, 2003.

67

How to convey that protein model structure is a local property. B.Rupp. Invited. European Structural Biology Forum, ESBF, Trieste, Italy, Dec 1-2nd, 2003

66

High Throughput Crystallography of Drug Target Structures. B.Rupp. Invited. Protein Interactions: Applications for Therapeutic Discovery Through Advances in Protein Design, Expression and Analysis. Oct. 8-10, 2003, San Diego, CA, USA

65

Matthews Coefficient Probabilities: Improved Estimates for Unit Cell Contents. K. Kantardjieff and B. Rupp. American Crystallographic Association Meeting Series 30: 114 (2003). Cincinnati, OH, July 25-31, 2003

64

Beyond random screening and towards predictive frameworks for protein crystallization. B. Rupp. American Crystallographic Association Meeting Series 30: 85 (2003). Cincinnati, OH, July 25-31, 2003

63

CRYSFIND, a new crystal detection software. D. Toppani, B. Rupp, C. Thomas, A. Christian and B. Segelke. American Crystallographic Association Meeting Series 30: 85 (2003). Cincinnati, OH, July 25-31, 2003

62

Automated CRYSTOOL Crystallization Screening at the TB Structural Genomics Crystallization Facility. B. Segelke, T. Lekin, D. Toppani, J. Schafer, B. Rupp. American Crystallographic Association Meeting Series 30: 84 (2003). Cincinnati, OH, July 25-31, 2003

61

FEL driven femto-second pump probe X-ray diffraction experiments. W.Brown, B.Rupp, F.Hartemann, R.J.Boyce, J.Lidestri and W.A.Hendrickson. Eighth International Conference on Synchrotron Radiation Instrumentation, Aug 2003, San Francisco, CA

60

High throughput crystallography of drug target structures. B.Rupp. University of California, Riverside, Feb 27, 2003 (invited)

59

Biomacromolecules and biomolecular techniques. B.Rupp. American Crystallographic Association Newsletter 3: 29-30 (2002)

58

High throughput crystallography: Is it for you? Efficiency considerations for modest budget and academic environment. B.Rupp. International Union for Crystallography XIX General Assembly, August 6-14 2002, Geneva, Switzerland (invited).

57

Towards automated molecular replacement using adaptive template generation, effective bias removal, and map reconstruction. B.Rupp, BW Segelke, A.Zemla.  American Crystallographic Association Meeting Series 29: 30 (2002). San Antonio, TX, May 24-29, 2002 (invited)

56

Phase bias removal and map improvement. B.Rupp. American Crystallographic Association Meeting 2002, San Antonio, TX, May 24-29, 2002 (invited, CCP4 workshop)

55

Automated CRYSTOOL: A random screening method for efficient high throughput crystallization. H. Krupka, B.Rupp, BW Segelke. American Crystallographic Association Meeting Series 29: 75-76 (2002). San Antonio, TX, May 24-29, 2002 (invited, HK presenting)

54

The TB Structural Genomics Consortium Crystallization Facility: Towards automation from protein to electron density. B. Rupp, B. W. Segelke, H. I. Krupka, T. Lekin, J. Schäfer, A. Zemla, D.Toppani, G. Snell and T.Earnest. ICCBM 9, March 23-29, 2002, Jena, FRG (invited)

53

Protein Crystallography and Structural Genomics. B.Rupp. University of California, Riverside, Jan 29, 2002 (invited)

52

Frontiers of Crystallization. B.Rupp. American Crystallographic Association Newsletter 3: 37 (2001)

51

Bacterial toxin structures and a cautionary tale in protein crystallography. B.Rupp. University of Calgary, Oct 17-18, 2001 (invited)

50

The Challenge of High Throughput Protein Crystallization at an Affordable Cost. B.Rupp. Western Canadian Structural Biology Workshop and Meeting, Alberta Synchrotron Institute, Banff, Oct 18-21, 2001 (invited)

49

The crystal structure of cytochrome c’ from the purple bacterium rhodobacter sphaeroides. K. Kantardjieff, L. Ramirez, H. Axelrod, B. Schick, B. Rupp, J. Allen. American Crystallographic Association Meeting Series 28: 128 (2001). Los Angeles, CA.

48

Structural Basis for Abrogated Binding Between Staphylococcal Enterotoxin A Superantigen Vaccine and MHC-II alpha. Krupka HI, Segelke BW, Ulrich RG, Ringhofer S, Knapp M. and Rupp B. American Crystallographic Association Meeting Series 28: 165 (2001). Los Angeles, CA.

47

Statistical Analysis of Protein Crystallization Parameters. B.Schick, B.W. Segelke, B. Rupp. ACA Meeting 2001, American Crystallographic Association Meeting Series 28: 166 (2001). Los Angeles, CA.

46

Effective phase bias removal and structure validation using Shake&wARP. B.Segelke and B.Rupp. American Crystallographic Association Meeting Series 28: 149 (2001). Los Angeles, CA.

45

Improving the Review of Macromolecular Structures.  B.Rupp. American Crystallographic Association Meeting Series 28: 146 (2001). Los Angeles, CA.

44

High Resolution Structure of Cytochrome c’ from Rhodobacter sphaeroides. K.Kantardjieff, H.Axelrod, L.Ramirez,B.Schick, B.Rupp, J.Allen. 15th West Coast Protein Crystallography Workshop, Asilomar, March 2001

43

Towards statistically valid testing of protein crystallization parameters. K.Kantardjieff, J.Madrid, A.Kataoka, R.Baumbach, D.Keisman, WY Chang, B.Segelke and B.Rupp. 15th West Coast Protein Crystallography Workshop, Asilomar, March 2001

42

Challenges of high throughput protein crystallization. B.Rupp. Keystone Meeting on Molecular and Cellular Aspects of Tuberculosis Research in the Post Genome Era, Taos, NM, Jan 25 – 30, 2001 (invited)

41

Correlations in protein crystallization parameters : A bioinformatic study. R. Baumbach, A Kataoake, D.Keisman, J.Madrid, KA Kantardjieff and B Rupp. Proceedings Thirteenth Annual CSU Biotechnology Symposium, Pomona, CA, Jan 3-13, 2001.

40

A multi-structure comparison of Concanavalin A. KA Kantardjieff, P.Hoechtl, B.Segelke, J.Madrid, F-M Tao and B Rupp. Proceedings Thirteenth Annual CSU Biotechnology Symposium, Pomona, CA, Jan 3-13, 2001

39

Towards the elucidation of the three-dimensional structure of the aminoglycoside acetyltransferase AAC(6’)-Ib: Cloning, expression and purification of a tagged truncated version of the protein. N.Weinsetel, M.Knapp, B.Schick, B. Rupp, K.Kantardjieff and M. Tolmasky. Proceedings Thirteenth Annual CSU Biotechnology Symposium, Pomona, CA, Jan 3-13, 2001

38

Three-Dimensional Theory of Emittance in Compton Scattering. F.V. Hartemann, A. Le Foll, A.K. Kerman, B.Rupp,  D.J. Gibson, E.C. Landahl, A.L. Troha, N.C. Luhmann, Jr,  H.A. Baldis. 2000. AIP Proceedings of the 9th Workshop on Advanced Accelerator Concepts, Santa Fe, June 10-16, 2000

36

Differential Stability, Folding Intermediates and Lipid Binding of Apolipoprotein E. Morrow J, Lu B, Höchtl P, Segal M, Rupp B, Phillips M, Lund-Katz S, Weisgraber K. 14th  Symposium of the Protein Society, 2000

35

The yop virulon of yersinia pestis: a mini-proteomics pilot project. Ringhofer S, Höchtl P,  Segelke B, SouzaB  and Rupp B. 14th  Symposium of the Protein Society, 2000

34

 Rapid Screening of engineered BRCT domains and their complexes by fluorescence reporter. Höchtl P, Segelke B, Ringhofer S, Rupp B. 14th  Symposium of the Protein Society, 2000

33

New insights into superantigen vaccine structure : SEA vaccine at 1.5Å resolution. S.Ringhofer, R. Ulrich, B.Segelke, M.Knapp, B.Rupp. ACA Golden Aniversary Meeting, July 22-27, 2000, St.Paul. MN. ACA Meeting Series 27, 111

32

1.8Å Structure of recombinantly expressed Botulinum neurotoxin type A light chain M. Knapp, B. Segelke, S. Kadkhodayan and B.Rupp, ACA Golden Aniversary Meeting, July 22-27, 2000, St.Paul. MN. ACA Meeting Series 27, 95

31

New model building and scaling procedures in a multi structure comparison of Concanavalin A. P. Höchtl, B. Segelke, S. Ringhofer and B.Rupp, ACA Golden Aniversary Meeting, July 22-27, 2000, St.Paul. MN. ACA Meeting Series 27, 88

30

Structure determination from multiple crystal forms: revisiting structural accuracy. B.Rupp, ACA Golden Aniversary Meeting, July 22-27, 2000, St.Paul. MN. ACA Meeting Series 27, 113

29

High troughput crystallization screening at a reasonable cost. B. Segelke and B.Rupp. ICCBM VIII, May 14-19, 2000, Sandestin, FL

28

Superantigen Vaccines : The structure of an inactive SEA mutant at 1.5 Å,  S.Ringhofer, B.Segelke, M.Knapp, R. Ulrich, B.Rupp. ALS User’s Meeting, Oct 18-20, 1999, Berkeley, CA

27

Conformational Flexibilty in Proteins : Can X-ray Crystallography Provide Insights? B.Rupp, 26th Annual SSRL User’s Meeting, October 11-12, 1999, Stanford, CA

26

The High Throughput Challenge: Structural Genomics from a crystallographer’s perspective. B.Rupp, CSUF Fullerton, Oct 6, 1999 (invited)

25

Are you MAD about phasing? B.Rupp, 35th American Chemical Association Western Regional Meeting, Ontario, CA, Oct. 6-8, 1999 (invited)

24

Tetanus Toxin ganglioside binding domain: 1.57 Å native and derivative structures. M.Knapp, B.Segelke and B.Rupp, IUCr XVIII Congress, August 4-13, 1999, Glasgow, Scotland

23

Critical assessment of crystallographic phase correction methods : wARP and EDEN. S.Ringhofer, B.Segelke, H.Szoke, A.Szoke and B.Rupp, 14th West Coast Protein Crystallography Workshop, March 14-17, 1999, Asilomar, California.

22

Combating model bias after molecular replacement in the refinement of isoforms of apolipoprotein E. C.Peters-Libeu, B.Segelke, B.Rupp and K.Weisgraber, 14th West Coast Protein Crystallography Workshop, March 14-17, 1999, Asilomar, California

21

Structure Determination of ApoE3 in three spacegroups by MAD or MR techniques. M.Forstenr, B.Segelke, Y.Newhouse, K.Weisgraber and B.Rupp, 14th West Coast Protein Crystallography Workshop, March 14-17, 1999, Asilomar, California

20

Crystool, a web service for generating highly efficient crystallization screens. B.Segelke and B.Rupp, 14th West Coast Protein Crystallography Workshop, March 14-17, 1999, Asilomar, California

19

 The 1.57 Å native and derivative structures of the Tetanus toxin ganglioside binding domain. M.Knapp, B.Segelke and B.Rupp, 14th West Coast Protein Crystallography Workshop, March 14-17, 1999, Asilomar, California.

18

Advanced Methods in Macromolecular Crystallography, B.Rupp, CSUF Fullerton, Nov 2, 1998 (invited)

17

Modern Biomolecular Crystallography : Cryo-Cooling,  MAD Phasing, and Multiple Crystal Forms. Habil Kolloqium, May 19, 1998. University of Vienna, Austria. Invited talk

16

Expression and Purification of the Lipid-Binding Domain of Apolipoprotein E. Michael Forstner, Emeline Contreras, Bernhard Rupp and Karl Weisgraber. Protein Purification and Production, La Jolla, CA April 6-8 (1998)

15

Crystallization and MAD phasing of the functional domains of apolipoprotein E. Michael Forstner, Clare Peters-Libeu, Brent Segelke, Sergei Trakhanov, Yvonne Newhouse, Karl Weisgraber and Bernhard Rupp. American Crystallographic Association Annual Meeeting, July 18-23, 1998, Arlington, VA. ACA Meeting Series 25, 130 (1998)

14

 The crystal structure of the ganglioside-binding  C-terminal fragment of Clostridium tetani at 1.6 Å. :  solving the phase problem with combined MAD and MIR. M.Knapp, B.Segelke and B.Rupp.  American Crystallographic Association Annual Meeeting, July 18-23, 1998, Arlington, VA. ACA Meeting Series 25, 90 (1998)

13

Structure Determination of ApoE3 in Three Spacegroups by MAD or Molecular Replacement Techniques. Bernhard Rupp, Brent Segelke, Michael Forstner, Sergei Trakhanov, Yvonne Newhouse, and Karl Weisgraber. American Crystallographic Association Annual Meeeting, July 18-23, 1998, Arlington, VA. ACA Meeting Series 25, 139 (1998)

12

Beyond the Sparse Matrix Screen: A Web Service for Randomly Generating Crystallization Experiments Brent W. Segelke and Bernhard Rupp, American Crystallographic Association Annual Meeting, July 18-23, 1998, Arlington, VA. ACA Meeting Series 25, 78 (1998)

11

Advanced  Methods in Modern Biomolecular Crystallography : Cryo-Cooling and MAD Phasing of Multiple Crystal Forms of ApoE. 1998 Deuel Conference on Lipids, March 11-15, Monterey, CA. Invited talk.

10

Crystallization and MAD phasing of apolipoprotein E and its functional domains. M. Forstner, S. Trakhanov, Y. Newhouse, K.Weisgraber and B Rupp. 1998. VII. International Conference on the Crystallization of Biologiocal Macromolecules, May 2-9, 1998, Granda, Spain

9

Cadmium-induced protein crystallization : A useful approach to improve crystal morphology and resolution. S. Trakhanov and B.Rupp. 1998. VII. International Conference on the Crystallization of Biologiocal Macromolecules, May 2-9, 1998, Granda, Spain.

8

 The structure of Subtilisin from Bacillus lentus at room and low temperature: Extension to true atomic resolution, M.Knapp, B.Rupp, S.Parkin, G.Ewans, A.Joachimiac, M.Westbrook, E.Westbrook, G.Ganshaw, J.Dauberman and R.Bott, West coast protein crystallography workshop, Asilomar, March 1997

7

Three-dimensional structure of aop-enzyme Actinoxanthin at 1.35 A (room temperature) and 1.0 A (130K), A.P.Kuzin, S.Parkin, S.D.Trakhanov, B.Rupp, D.K.Wilson and F.A.Quiocho, American Crystallographic Association Annual Meeting, July 19-25, 1997, St.Louis, ACA Meeting Series 24, 147 (1997)

6

Novel mechanism for defective receptor binding of apolipoptotein E2,  L.-M. Dong, S. Parkin, S.D.Trakhanov, B.Rupp, K.S.Arnold, Y.M.Newhouse, T.Simmons, T.L.Innerarity and K.H.Weisgraber, 10th Protein Society Symposium, August 3-7, 1996,  Protein Science  5 (supplement 1), 163 (1996)

5

Cryogenic Mounting, Archiving and Transportation of Biological Macromolecular Crystals. Sean Parkin, Bernhard Rupp and Håkon Hope, International Union for Crystallography XVII. Congress and General Assembly, Aug. 8-17, 1996, Seattle, Washington

4

M.Weber, A.West, B.Rupp, M.Berrondo and J.F.Rivas-Silva, Dense Lead and Bismuth Scintillators,  Intl. Conference on Scintillator Materials, August 1995, Delft, Netherlands

3

Developments in cryo-crystallography : Application of new techniques to Concanvalin A, H.Hope, S. Parkin, and B.Rupp, European Crystallography Meeting XVI, August 6-11, 1995, Lund, Sweden. Book of abstracts ECM16, 80 (1995)

2

Atomic resolution cryocrystallography : BPTI and Concanavalin A, B.Rupp, H.Hope and S.Parkin, American Crystallographic Association Annual Meeting, July 23-28, 1995, Montreal, Canada, ACA Meeting Series 23, 105 (1995)

1

High resolution cryo-crystallography of biological macromolecules, B.Rupp, Sean Parkin and H.Hope, Proc. Intl. Conference on Molecular Structural Biology 1995, Sept 17-22, 1995, Vienna, Austria, Eds. A.Kungel, P.Andrews and H.Schreiber

 

    

Books, Book Chapters, Thesis Work

6

Modern Biomolecular Crystallography. A web-supported graduate textbook, expected 2005, Taylor and Francis, NY

5

A guide to automation and data handling in protein crystallization. B. Rupp. In Crystallization Strategies for Structural Genomics, N. Chayen, Ed., International University Line (Fall 2004). 

4

High throughput protein crystallography. B.Rupp. In Structural Proteomics, Sundstrom, M., Norin, M.,  Edwards, A., Eds., CRC Press, spring 2005, ISBN: 0-8247-5335-6, in press.

3

DOS 4.0 Power User's Guide, A Practical Handbook, by B. Rupp, 1989, Hüthig, Heidelberg, 225 pages, ISBN 3-7785-1809-7

2

Investigation of Hydrogen Absorption in Ternary Oxides Ti4-xFe2+xOy, Doctoral Thesis, University of Vienna, 1984

1

Structural Chemistry and Hydrogen Absorption in Zr-Fe-(O) Alloys Diploma (MS) Thesis, Univ. Vienna, 1982

    

Program Packages and Adaptations

7

LIGPLOT 4.2.2., Windows NT/XP version, Wallace A C, Laskowski R A & Thornton J M (1995). LIGPLOT: A program to generate schematic diagrams of protein-ligand interactions. Prot. Eng., 8, 127-134.

6

FCALC, a macromolecular structure factor and diffraction data simulation program for anomalous diffraction data, B.Rupp (2000)

5

Procheck 3.4 Windows NT version, Laskowski R A, MacArthur M W, Moss D S & Thornton J M (1993). PROCHECK: a program to check the stereochemical quality of protein structures. J. Appl. Cryst., 26, 283-291 (1993)

4

Profile Refinement Program, after A.Hewat, updated MS-DOS Version, includes Significance Test Supplement for Profile Description (1988)

3

Profile Refinement and Difference Fourier Package, adapted from A.Hewat and J.Dellaca, VAX/VMS Version (1987)

2

LPLOT Graphic Powder Profile Simulation Package, IBM PC Version (1987-1990)

1

Updated Interactive VAX/VMS version of program LAZY PULVERIX (K.Yvon, W.Jeitschko and E.Parthe, J.Appl.Cryst. 10, 1977)

 

 

Educational On-Line Publications

1

World Wide Web site www-structure.llnl.gov, conceived and maintained by Bernhard Rupp, interactive tutorial on Macromolecular Crystallography, tutorials on CD-spectroscopy, crystallographic Computing and CGI-programming.

 

Contributions to the Annual LNS Progress Reports

1

A Neutron Diffraction Study of the -Phase Ti9Fe3O3H7, P.Rogl, B.Rupp, P.Fischer and G.Wiesinger, LNS 131, 69 (1985)

2

Neutron Diffraction Investigation Deuterated -Phase Ti9Fe3O3H7, P.Rogl, B.Rupp and P.Fischer , LNS 134, 87 (1986)

3

Neutron Diffraction Study of -Ti-Fe-O , B.Rupp and P.Fischer, LNS 137, 24 (1987)

4

Crystallographic and Magnetic Structure of Nd2Fe17Dx , B.Rupp and P.Fischer, LNS 141, 83 (1988)

5

Neutron Diffraction Study of ErBa2Cu3Ox in the Concentration Range 6.1 < x < 7.0 , B.Rupp, E.Pörschke, P.Meuffels, P.Fischer and P.Allenspach, LNS 146, 24 (1989)

6

Oxygen-vacancy dependence of the Crystalline-Electric Field in ErBa2Cu3Ox , P.Allenspach, A.Furrer, B.Rupp, E.Poerschke and P.Meuffels, LNS 146, 28 (1989)

7

Neutron Diffraction Studies on Superconducting Ceramics (6 < x < 7), P.Meuffels, E.Poerschke, H.Maletta, P.Fischer B.Rupp, LNS 146, 32 (1989)

8

Neutron Diffraction, Single Crystal X-Ray diffraction and X-Rray Absorption Fine Structure of LiCaCrF6 , B.Rupp, W.L.Kway, J.Wong, P.Fischer and P.Rogl, LNS 161, 124 (1992)

9

Crystal Chemistry and Magnetism of Ternary Actinoid Boron Carbides UB1-xCx and U1-xMxB2C with M=Sc,Lu and Th P.Rogl, B.Rupp, I.Felner and P.Fischer, LNS 161, 116 (1992)

 

Work in Progress

1

Domain motion in triclinic superstructure crystals of native and engineered Calmodulin, MA Wilson, B.Rupp. MS in preparation, (2003)

2

Multiconformer refinement of the ganglioside binding fragment of the Tetanus toxin at 1.57 Å. M.Knapp, J. Verderame, B.Segelke, K. Kantardjieff and B. Rupp. MS in preparation (2003)

3

Implication of conformational changes in Apolipoptotein E4 for isoform differences. J.Verderame, K.Kantardjieff, B.Segelke, K.Weisgraber and Rupp B. MS in preparation (2003)

4

Broad bandwidth single anomalous dispersion phasing with Compton-type X-ray sources. F. Hartemann and B. Rupp. MS in preparation (2003)