Protein Data Bank Entries - Rupp Lab  

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 Description of entry (unlinked entries are on hold until publication. Please contact me for pre-release coordinates)
  1YNL
1.9 Å		 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. Structure of NC6.8-TES
complex. (2005)
1YNK
2.6 Å		 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. Structure of NC6.8-SC45647
complex. (2005)
Rv1379
1W30
1.9 Å		 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.  Protein Data Bank Entry 1w30 (2004)
1HKV 2.6 Å LysA-PLP-
Lysine complex

Crystal Structure of Mycobacterium tuberculosis Diaminopimelate Decarboxylase, an Essential Enzyme in Bacterial Lysine Biosynthesis (LysA, Rv1237)

 

Kuppan Gokulan, Bernhard Rupp, Martin S. Pavelka, Jr., William R. Jacobs, Jr., and James C. Sacchettini

 J. Biol. Chem. 278(20):18588-18596 (2003)
1HKW 2.8 Å
LysA-PLP-
Lysine complex

Crystal Structure of Mycobacterium tuberculosis Diaminopimelate Decarboxylase, an Essential Enzyme in Bacterial Lysine Biosynthesis (lysA, Rv1237)

 

Kuppan Gokulan, Bernhard Rupp, Martin S. Pavelka, Jr., William R. Jacobs, Jr., and James C. Sacchettini

J. Biol. Chem. 278(20):18588-18596 (2003)
1MQ7
Rv2697c
1.9 Å		 TB consortium target structure, solved at UCLA with LLNL data
Rv3465
1UPI
1.7 Å		 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 B Rupp. Acta Crystallogr D 60: 895-902 (2004), Journal Cover.
Rv1347c
2.5 Å
1YK3		 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).
1GQA
1.8 Å

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)

1GS9
1.7 Å

 A new crystal form of Apoliporotein E4. J.Verderame, K.Kantradjieff, B.Segelke, K.Weisgraber and B.Rupp.  (2001)

1EA8
1.9 Å

 ApoE3 lipoprotein mutant K146E. J.Verderame, K.Kantradjieff, C. Peters-Libeu, K.Weisgraber and B.Rupp.  (2001)

1H7I
1.9 Å

 ApoE3 lipoprotein mutant K146Q. J.Verderame, K.Kantradjieff, C. Peters-Libeu, K.Weisgraber and B.Rupp.  (2001)
1UP5
1.6 Å		 New insights in the flexibility and domain librations in Calmodulin, M.Wilson and B.Rupp (2003)

1HD7
1.8 Å

 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)

 1E9N
2.2 Å

 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)

1E1H
1.8 Å

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)
1GKB
1.56 Å 		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)
1DYQ
1.54 Å 		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)
1B68
1.8 Å  		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)
1OR3
1.8 Å 		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)
1OR2
2.5 Å 		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)
1BZ4
1.85 Å		 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)
 1A8D
 1.57 Å		 The crystal structure of the ganglioside-binding  C-terminal fragment of Clostridium tetani:  solving the phase problem with combined MAD and MIR. M.Knapp, B.Segelke and B.Rupp. (1998)
12E8
1.9 Å		 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).
1NFO
2.0 Å		 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)
1NFN
1.8 Å		 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)

 

 1JBC
1.2 Å		 Atomic resolution structure of Concanavalin A at 120K,  Sean Parkin,  B.Rupp and H.Hope, Acta Crystallogr. D52 ,  1161 (1996)

 

 1BPI
1.1 Å		 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)