1F1W
 
 | | SRC SH2 THREF1TRP MUTANT COMPLEXED WITH THE PHOSPHOPEPTIDE S(PTR)VNVQN | | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, S(PTR)VNVQN PHOSPHOPEPTIDE | | Authors: | Kimber, M.S, Nachman, J, Cunningham, A.M, Gish, G.D, Pawson, T, Pai, E.F. | | Deposit date: | 2000-05-20 | | Release date: | 2000-07-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for specificity switching of the Src SH2 domain.
Mol.Cell, 5, 2000
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1F2F
 | | SRC SH2 THREF1TRP MUTANT | | Descriptor: | PHOSPHATE ION, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | Authors: | Kimber, M.S, Nachman, J, Cunningham, A.M, Gish, G.D, Pawson, T, Pai, E.F. | | Deposit date: | 2000-05-24 | | Release date: | 2000-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for specificity switching of the Src SH2 domain.
Mol.Cell, 5, 2000
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2P8L
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN | | Descriptor: | gp41 peptide, nmAb 2F5, heavy chain, ... | | Authors: | Julien, J.P, Bryson, S, Pai, E.F. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
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2P1F
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2PW2
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELDKWKSL | | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, peptide epitope | | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | | Deposit date: | 2007-05-10 | | Release date: | 2007-05-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
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2PW1
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELDKWNSL | | Descriptor: | 2F5 Fab fragment heavy chain, 2F5 Fab fragment light chain, peptide epitope | | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | | Deposit date: | 2007-05-10 | | Release date: | 2007-05-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
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4PAU
 | | Hypothetical protein SA1058 from S. aureus. | | Descriptor: | CHLORIDE ION, Nitrogen regulatory protein A | | Authors: | Battaile, K.P, Wu-Brown, J, Romanov, V, Jones, K, Lam, R, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-04-10 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hypothetical protein SA1058 from S. aureus.
To Be Published
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1HYB
 | | CRYSTAL STRUCTURE OF AN ACTIVE SITE MUTANT OF METHANOBACTERIUM THERMOAUTOTROPHICUM NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE, SULFATE ION | | Authors: | Saridakis, V, Christendat, D, Kimber, M.S, Edwards, A.M, Pai, E.F. | | Deposit date: | 2001-01-18 | | Release date: | 2001-03-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into ligand binding and catalysis of a central step in NAD+ synthesis: structures of Methanobacterium thermoautotrophicum NMN adenylyltransferase complexes.
J.Biol.Chem., 276, 2001
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3BAR
 | | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-azido-UMP | | Descriptor: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Liu, Y, Bello, A.M, Poduch, E, Lau, W, Kotra, L.P, Pai, E.F. | | Deposit date: | 2007-11-08 | | Release date: | 2008-01-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase.
J.Med.Chem., 51, 2008
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1U8P
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ECDKWCS | | Descriptor: | ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE | | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | | Deposit date: | 2004-08-06 | | Release date: | 2004-10-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications
J.Virol., 83, 2009
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3BQU
 | | Crystal Structure of the 2F5 Fab'-3H6 Fab Complex | | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, 3H6 Fab heavy chain, ... | | Authors: | Bryson, S, Julien, J.-P, Isenman, D.E, Kunert, R, Katinger, H, Pai, E.F. | | Deposit date: | 2007-12-20 | | Release date: | 2008-10-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the complex between the F(ab)' fragment of the cross-neutralizing anti-HIV-1 antibody 2F5 and the F(ab) fragment of its anti-idiotypic antibody 3H6.
J.Mol.Biol., 382, 2008
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3BK0
 | | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-UMP | | Descriptor: | 5-CYANO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL, SULFATE ION, ... | | Authors: | Liu, Y, Tang, H.L, Avina, M.E.M, Kotra, L.P, Pai, E.F. | | Deposit date: | 2007-12-05 | | Release date: | 2008-11-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-UMP
To be Published
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1LOS
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1LP6
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1LOL
 | | Crystal structure of orotidine monophosphate decarboxylase complex with XMP | | Descriptor: | 1,3-BUTANEDIOL, XANTHOSINE-5'-MONOPHOSPHATE, orotidine 5'-monophosphate decarboxylase | | Authors: | Wu, N, Pai, E.F. | | Deposit date: | 2002-05-06 | | Release date: | 2002-08-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of inhibitor complexes reveal an alternate binding mode in orotidine-5'-monophosphate decarboxylase.
J.Biol.Chem., 277, 2002
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1M8K
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1LVW
 | | Crystal structure of glucose-1-phosphate thymidylyltransferase, RmlA, complex with dTDP | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Dong, A, Christendat, D, Pai, E.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-05-29 | | Release date: | 2003-07-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of glucose-1-phosphate thymidylyltransferase, RmlA, complex with dTDP
To be Published
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3RI0
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | BB_2cx5_001, GLYCEROL, SULFATE ION | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-12 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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1N5X
 | | Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound | | Descriptor: | 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Okamoto, K, Eger, B.T, Nishino, T, Kondo, S, Pai, E.F, Nishino, T. | | Deposit date: | 2002-11-07 | | Release date: | 2003-03-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | An Extremely Potent Inhibitor of Xanthine Oxidoreductase: Crystal Structure of the Enzyme-Inhibitor Complex and Mechanism of Inhibition
J.BIOL.CHEM., 278, 2003
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2F5A
 | | CRYSTAL STRUCTURE OF FAB' FROM THE HIV-1 NEUTRALIZING ANTIBODY 2F5 | | Descriptor: | PROTEIN (ANTIBODY 2F5 (HEAVY CHAIN)), PROTEIN (ANTIBODY 2F5 (LIGHT CHAIN)) | | Authors: | Bryson, S, Julien, J.P, Hynes, R.C, Pai, E.F. | | Deposit date: | 1999-04-08 | | Release date: | 2003-07-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
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3O79
 | | Crystal Structure of Wild-type Rabbit PrP 126-230 | | Descriptor: | CHLORIDE ION, GLYCEROL, Rabbit PrP, ... | | Authors: | Sweeting, B, Chakrabartty, A, Pai, E.F. | | Deposit date: | 2010-07-30 | | Release date: | 2010-11-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Prion disease susceptibility is affected by beta-structure folding propensity and local side-chain interactions in PrP.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3R3U
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/apo | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, NICKEL (II) ION | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R41
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/apo | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-17 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R3W
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R3V
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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