3R40
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | 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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3R3X
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate | 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 (1.8 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
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3RIJ
| Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | GLYCEROL, SC_2cx5 | 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: | 2011-04-13 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 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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3RZ4
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3SGU
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3S9Y
| Crystal Structure of P. falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP in space group P21, produced from 5-fluoro-6-azido-UMP | Descriptor: | 6-amino-5-fluorouridine 5'-(dihydrogen phosphate), DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ... | Authors: | Liu, Y, Kotra, L.P, Pai, E.F. | Deposit date: | 2011-06-02 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-activity relationships of orotidine-5'-monophosphate decarboxylase inhibitors as anticancer agents. J.Med.Chem., 52, 2009
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3SSJ
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1DVJ
| CRYSTAL STRUCTURE OF OROTIDINE MONOPHOSPHATE DECARBOXYLASE COMPLEXED WITH 6-AZAUMP | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | Authors: | Wu, N, Mo, Y, Gao, J, Pai, E.F. | Deposit date: | 2000-03-30 | Release date: | 2000-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Electrostatic stress in catalysis: structure and mechanism of the enzyme orotidine monophosphate decarboxylase. Proc.Natl.Acad.Sci.USA, 97, 2000
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1DV7
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3SZE
| Crystal structure of the passenger domain of the E. coli autotransporter EspP | Descriptor: | Serine protease espP | Authors: | Khan, S, Mian, H.S, Sandercock, L.E, Battaile, K.P, Lam, R, Chirgadze, N.Y, Pai, E.F. | Deposit date: | 2011-07-18 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Passenger Domain of the Escherichia coli Autotransporter EspP. J.Mol.Biol., 413, 2011
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3SW6
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3THQ
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1EP0
| HIGH RESOLUTION CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM | Descriptor: | DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE | Authors: | Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-03-24 | Release date: | 2000-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP. J.Biol.Chem., 275, 2000
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1EPZ
| CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOASE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH BOUND LIGAND. | Descriptor: | DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE, THYMIDINE-5'-DIPHOSPHATE | Authors: | Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C, Edwards, A.M. | Deposit date: | 2000-03-30 | Release date: | 2000-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP. J.Biol.Chem., 275, 2000
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1EJ2
| Crystal structure of methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase with bound NAD+ | Descriptor: | NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Saridakis, V, Christendat, D, Kimber, M.S, Edwards, A.M, Pai, E.F, Midwest Center for Structural Genomics (MCSG), Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-02-29 | Release date: | 2001-03-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 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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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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1FO4
| CRYSTAL STRUCTURE OF XANTHINE DEHYDROGENASE ISOLATED FROM BOVINE MILK | Descriptor: | 2-HYDROXYBENZOIC ACID, CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... | Authors: | Enroth, C, Eger, B.T, Okamoto, K, Nishino, T, Nishino, T, Pai, E.F. | Deposit date: | 2000-08-24 | Release date: | 2000-10-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of bovine milk xanthine dehydrogenase and xanthine oxidase: structure-based mechanism of conversion. Proc.Natl.Acad.Sci.USA, 97, 2000
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1FIQ
| CRYSTAL STRUCTURE OF XANTHINE OXIDASE FROM BOVINE MILK | Descriptor: | 2-HYDROXYBENZOIC ACID, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Enroth, C, Eger, B.T, Okamoto, K, Nishino, T, Nishino, T, Pai, E.F. | Deposit date: | 2000-08-04 | Release date: | 2000-10-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of bovine milk xanthine dehydrogenase and xanthine oxidase: structure-based mechanism of conversion. Proc.Natl.Acad.Sci.USA, 97, 2000
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3UNC
| Crystal Structure of Bovine Milk Xanthine Dehydrogenase to 1.65A Resolution | Descriptor: | 2-HYDROXYBENZOIC ACID, CALCIUM ION, CARBONATE ION, ... | Authors: | Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F. | Deposit date: | 2011-11-15 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Protein conformational gating of enzymatic activity in xanthine oxidoreductase. J.Am.Chem.Soc., 134, 2012
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3UM9
| Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Bpro0530 | Descriptor: | Haloacid dehalogenase, type II, NICKEL (II) ION, ... | Authors: | Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-11-12 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published
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3UMC
| Crystal Structure of the L-2-Haloacid Dehalogenase PA0810 | Descriptor: | CHLORIDE ION, SODIUM ION, haloacid dehalogenase | Authors: | Petit, P, Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-11-13 | Release date: | 2012-11-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published
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3UNI
| Crystal Structure of Bovine Milk Xanthine Dehydrogenase with NADH Bound | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-HYDROXYBENZOIC ACID, CALCIUM ION, ... | Authors: | Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F. | Deposit date: | 2011-11-15 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein conformational gating of enzymatic activity in xanthine oxidoreductase. J.Am.Chem.Soc., 134, 2012
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3UMB
| Crystal Structure of the L-2-Haloacid Dehalogenase RSc1362 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Petit, P, Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-11-12 | Release date: | 2012-11-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published
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3UMG
| Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Rha0230 | Descriptor: | CHLORIDE ION, Haloacid dehalogenase | Authors: | Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-11-13 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published
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