1Q0Y
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![BU of 1q0y by Molmil](/molmil-images/mine/1q0y) | Anti-Morphine Antibody 9B1 Complexed with Morphine | Descriptor: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, Fab 9B1, Heavy chain, ... | Authors: | Pozharski, E, Wilson, M.A, Hewagama, A, Shanafelt, A.B, Petsko, G, Ringe, D. | Deposit date: | 2003-07-17 | Release date: | 2004-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Anchoring a cationic ligand: the structure of the Fab fragment of the anti-morphine antibody 9B1 and its complex with morphine J.Mol.Biol., 337, 2004
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1OT5
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![BU of 1ot5 by Molmil](/molmil-images/mine/1ot5) | The 2.4 Angstrom Crystal Structure of Kex2 in complex with a peptidyl-boronic acid inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ac-Ala-Lys-boroArg N-acetylated boronic acid peptide inhibitor, ... | Authors: | Holyoak, T, Wilson, M.A, Fenn, T.D, Kettner, C.A, Petsko, G.A, Fuller, R.S, Ringe, D. | Deposit date: | 2003-03-21 | Release date: | 2003-06-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2.4 A Resolution Crystal Structure of the Prototypical Hormone-Processing Protease Kex2 in Complex with an Ala-Lys-Arg Boronic Acid Inhibitor Biochemistry, 42, 2003
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1S5N
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![BU of 1s5n by Molmil](/molmil-images/mine/1s5n) | Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift | Descriptor: | HYDROXIDE ION, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Fenn, T.D, Ringe, D, Petsko, G.A. | Deposit date: | 2004-01-21 | Release date: | 2004-02-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,). Biochemistry, 43, 2004
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1RTQ
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![BU of 1rtq by Molmil](/molmil-images/mine/1rtq) | The 0.95 Angstrom Resolution Crystal Structure of the Aminopeptidase from Aeromonas proteolytica | Descriptor: | Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ... | Authors: | Desmarais, W, Bienvenue, D.L, Krzysztof, B.P, Holz, R.C, Petsko, G.A, Ringe, D. | Deposit date: | 2003-12-10 | Release date: | 2004-02-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The high-resolution structures of the neutral and the low pH crystals of aminopeptidase from Aeromonas proteolytica. J.Biol.Inorg.Chem., 11, 2006
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2ACQ
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![BU of 2acq by Molmil](/molmil-images/mine/2acq) | AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D. | Deposit date: | 1994-04-15 | Release date: | 1994-07-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate. Biochemistry, 33, 1994
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2AB0
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![BU of 2ab0 by Molmil](/molmil-images/mine/2ab0) | Crystal Structure of E. coli protein YajL (ThiJ) | Descriptor: | YajL | Authors: | Wilson, M.A, Ringe, D, Petsko, G.A. | Deposit date: | 2005-07-14 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Atomic Resolution Crystal Structure of the YajL (ThiJ) Protein from Escherichia coli: A Close Prokaryotic Homologue of the Parkinsonism-associated Protein DJ-1. J.Mol.Biol., 353, 2005
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1P5F
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![BU of 1p5f by Molmil](/molmil-images/mine/1p5f) | Crystal Structure of Human DJ-1 | Descriptor: | RNA-binding protein regulatory subunit | Authors: | Wilson, M.A, Collins, J.L, Hod, Y, Ringe, D, Petsko, G.A. | Deposit date: | 2003-04-26 | Release date: | 2003-08-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The 1.1 A resolution crystal structure of DJ-1, the protein mutated in autosomal recessive early onset Parkinson's disease Proc.Natl.Acad.Sci.USA, 100, 2003
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5RAT
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![BU of 5rat by Molmil](/molmil-images/mine/5rat) | |
5RHN
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![BU of 5rhn by Molmil](/molmil-images/mine/5rhn) | HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN (HINT) FROM RABBIT COMPLEXED WITH 8-BR-AMP | Descriptor: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN | Authors: | Brenner, C, Garrison, P, Gilmour, J, Peisach, D, Ringe, D, Petsko, G.A, Lowenstein, J.M. | Deposit date: | 1997-02-26 | Release date: | 1997-06-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal structures of HINT demonstrate that histidine triad proteins are GalT-related nucleotide-binding proteins. Nat.Struct.Biol., 4, 1997
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2ACS
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![BU of 2acs by Molmil](/molmil-images/mine/2acs) | AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE | Descriptor: | ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D. | Deposit date: | 1994-04-15 | Release date: | 1994-07-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate. Biochemistry, 33, 1994
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2ACR
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![BU of 2acr by Molmil](/molmil-images/mine/2acr) | AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE | Descriptor: | ALDOSE REDUCTASE, CACODYLATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D. | Deposit date: | 1994-04-15 | Release date: | 1994-07-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate. Biochemistry, 33, 1994
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5T4J
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![BU of 5t4j by Molmil](/molmil-images/mine/5t4j) | PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, HTH-type transcriptional regulatory protein GabR, PYRIDOXAL-5'-PHOSPHATE | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2016-08-29 | Release date: | 2017-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5T4K
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![BU of 5t4k by Molmil](/molmil-images/mine/5t4k) | PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | Descriptor: | (4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid, HTH-type transcriptional regulatory protein GabR | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2016-08-29 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5T4L
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![BU of 5t4l by Molmil](/molmil-images/mine/5t4l) | PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | Descriptor: | (4R)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid, Aspartate aminotransferase | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2016-08-29 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2ANP
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![BU of 2anp by Molmil](/molmil-images/mine/2anp) | Functional Glutamate 151 to Histidine mutant of the aminopeptidase from Aeromonas Proteolytica. | Descriptor: | SODIUM ION, ZINC ION, leucyl aminopeptidase | Authors: | Bzymek, K.P, Moulin, A, Swierczek, S.I, Ringe, D, Petsko, G.A, Holz, R.C. | Deposit date: | 2005-08-11 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Kinetic, Spectroscopic, and X-ray Crystallographic Characterization of the Functional E151H Aminopeptidase from Aeromonas proteolytica. Biochemistry, 44, 2005
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5UCD
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![BU of 5ucd by Molmil](/molmil-images/mine/5ucd) | Benzaldehyde Dehydrogenase, a Class 3 Aldehyde Dehydrogenase, with bound NADP+ and Benzoate Adduct | Descriptor: | NAD(P)-dependent benzaldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zahniser, M.P.D, Prasad, S, Kneen, M.M, Kreinbring, C.A, Petsko, G.A, Ringe, D, McLeish, M.J. | Deposit date: | 2016-12-22 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure and mechanism of benzaldehyde dehydrogenase from Pseudomonas putida ATCC 12633, a member of the Class 3 aldehyde dehydrogenase superfamily. Protein Eng. Des. Sel., 30, 2017
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5UGQ
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![BU of 5ugq by Molmil](/molmil-images/mine/5ugq) | Crystal Structure of Hip1 (Rv2224c) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-09 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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1QIS
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![BU of 1qis by Molmil](/molmil-images/mine/1qis) | ASPARTATE AMINOTRANSFERASE FROM ESCHERICHIA COLI, C191F MUTATION, WITH BOUND MALEATE | Descriptor: | ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Jeffery, C.J, Gloss, L.M, Petsko, G.A, Ringe, D. | Deposit date: | 1999-06-15 | Release date: | 2000-06-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Role of Residues Outside the Active Site in Catalysis: Structural Basis for Function of C191 Mutants of E. Coli Aspartate Aminotransferase Protein Eng., 13, 2000
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1QIT
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![BU of 1qit by Molmil](/molmil-images/mine/1qit) | ASPARTATE AMINOTRANSFERASE FROM ESCHERICHIA COLI, C191W MUTATION, WITH BOUND MALEATE | Descriptor: | ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Jeffery, C.J, Gloss, L.M, Petsko, G.A, Ringe, D. | Deposit date: | 1999-06-15 | Release date: | 2000-06-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Role of Residues Outside the Active Site in Catalysis: Structural Basis for Function of C191 Mutants of E. Coli Aspartate Aminotransferase Protein Eng., 13, 2000
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1RIU
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![BU of 1riu by Molmil](/molmil-images/mine/1riu) | Anti-Cocaine Antibody M82G2 Complexed With Norbenzoylecgonine | Descriptor: | 3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, Fab M82G2, Heavy Chain, ... | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D. | Deposit date: | 2003-11-18 | Release date: | 2003-12-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carving a Binding Site: Structural Study of an Anti-Cocaine Antibody in Complex with Three Cocaine Analogs To be Published
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1RIV
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![BU of 1riv by Molmil](/molmil-images/mine/1riv) | Anti-Cocaine Antibody M82G2 Complexed With meta-Oxybenzoylecgonine | Descriptor: | 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, Fab M82G2, Heavy Chain, ... | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D. | Deposit date: | 2003-11-18 | Release date: | 2003-12-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Carving a Binding Site: Structural Study of an Anti-Cocaine Antibody in Complex with Three Cocaine Analogs To be Published
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1QIR
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![BU of 1qir by Molmil](/molmil-images/mine/1qir) | ASPARTATE AMINOTRANSFERASE FROM ESCHERICHIA COLI, C191Y MUTATION, WITH BOUND MALEATE | Descriptor: | ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Jeffery, C.J, Gloss, L.M, Petsko, G.A, Ringe, D. | Deposit date: | 1999-06-15 | Release date: | 2000-06-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Role of Residues Outside the Active Site in Catalysis: Structural Basis for Function of C191 Mutants of E. Coli Aspartate Aminotransferase Protein Eng., 13, 2000
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1Q72
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![BU of 1q72 by Molmil](/molmil-images/mine/1q72) | Anti-Cocaine Antibody M82G2 Complexed with Cocaine | Descriptor: | COCAINE, Fab M82G2, Heavy chain, ... | Authors: | Pozharski, E, Moulin, A, Hewagama, A, Shanafelt, A.B, Petsko, G.A, Ringe, D. | Deposit date: | 2003-08-15 | Release date: | 2003-08-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2. J.Mol.Biol., 349, 2005
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1RAT
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![BU of 1rat by Molmil](/molmil-images/mine/1rat) | |
1RFD
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![BU of 1rfd by Molmil](/molmil-images/mine/1rfd) | ANTI-COCAINE ANTIBODY M82G2 | Descriptor: | Fab M82G2, Heavy Chain, Light Chain | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A.B, Petsko, G.A, Ringe, D. | Deposit date: | 2003-11-07 | Release date: | 2003-11-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2. J.Mol.Biol., 349, 2005
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