3CPO
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![BU of 3cpo by Molmil](/molmil-images/mine/3cpo) | Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol | Descriptor: | 2-fluorophenol, Delta(5)-3-ketosteroid isomerase | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G. | Deposit date: | 2008-03-31 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole J.Am.Chem.Soc., 130, 2008
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5T1J
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![BU of 5t1j by Molmil](/molmil-images/mine/5t1j) | Crystal Structure of the Tbox DNA binding domain of the transcription factor T-bet | Descriptor: | DNA, T-box transcription factor TBX21 | Authors: | Liu, C.F, Brandt, G.S, Hoang, Q, Hwang, E.S, Naumova, N, Lazarevic, V, Dekker, J, Glimcher, L.H, Ringe, D, Petsko, G.A. | Deposit date: | 2016-08-19 | Release date: | 2016-10-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.947 Å) | Cite: | Crystal structure of the DNA binding domain of the transcription factor T-bet suggests simultaneous recognition of distant genome sites. Proc.Natl.Acad.Sci.USA, 113, 2016
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3B3W
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![BU of 3b3w by Molmil](/molmil-images/mine/3b3w) | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, SODIUM ION, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-22 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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3B7I
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![BU of 3b7i by Molmil](/molmil-images/mine/3b7i) | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine phosphonic acid | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, LEUCINE PHOSPHONIC ACID, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-30 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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3B35
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![BU of 3b35 by Molmil](/molmil-images/mine/3b35) | Crystal structure of the M180A mutant of the aminopeptidase from Vibrio proteolyticus | Descriptor: | Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-19 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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3B3T
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![BU of 3b3t by Molmil](/molmil-images/mine/3b3t) | Crystal structure of the D118N mutant of the aminopeptidase from Vibrio proteolyticus | Descriptor: | Bacterial leucyl aminopeptidase, ISOLEUCINE, SODIUM ION, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-22 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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3QZ9
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![BU of 3qz9 by Molmil](/molmil-images/mine/3qz9) | Crystal structure of Co-type nitrile hydratase beta-Y215F from Pseudomonas putida. | Descriptor: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | Authors: | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | Deposit date: | 2011-03-04 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida. Biochemistry, 50, 2011
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3QYG
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![BU of 3qyg by Molmil](/molmil-images/mine/3qyg) | Crystal Structure of Co-type Nitrile Hydratase beta-E56Q from Pseudomonas putida. | Descriptor: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | Authors: | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | Deposit date: | 2011-03-03 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida. Biochemistry, 50, 2011
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3QZ5
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![BU of 3qz5 by Molmil](/molmil-images/mine/3qz5) | Crystal Structure of Co-type Nitrile Hydratase alpha-E168Q from Pseudomonas putida. | Descriptor: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | Authors: | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | Deposit date: | 2011-03-04 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida. Biochemistry, 50, 2011
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3QXE
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![BU of 3qxe by Molmil](/molmil-images/mine/3qxe) | Crystal Structure of Co-type Nitrile Hydratase from Pseudomonas putida. | Descriptor: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | Authors: | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | Deposit date: | 2011-03-01 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida. Biochemistry, 50, 2011
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3QYH
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![BU of 3qyh by Molmil](/molmil-images/mine/3qyh) | Crystal Structure of Co-type Nitrile Hydratase beta-H71L from Pseudomonas putida. | Descriptor: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit | Authors: | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | Deposit date: | 2011-03-03 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida. Biochemistry, 50, 2011
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3DHC
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![BU of 3dhc by Molmil](/molmil-images/mine/3dhc) | 1.3 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homocysteine Bound to The catalytic Metal Center | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homocysteine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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3DHB
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![BU of 3dhb by Molmil](/molmil-images/mine/3dhb) | 1.4 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at The Catalytic Metal Center | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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3DHA
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![BU of 3dha by Molmil](/molmil-images/mine/3dha) | An Ultral High Resolution Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at An Alternative Site | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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3SDP
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![BU of 3sdp by Molmil](/molmil-images/mine/3sdp) | |
3BBG
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![BU of 3bbg by Molmil](/molmil-images/mine/3bbg) | |
3F6E
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![BU of 3f6e by Molmil](/molmil-images/mine/3f6e) | Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor 3-PKB | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION | Authors: | Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F. | Deposit date: | 2008-11-05 | Release date: | 2008-12-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase. Biochemistry, 48, 2009
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3F6B
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![BU of 3f6b by Molmil](/molmil-images/mine/3f6b) | Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor PAA | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION | Authors: | Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F. | Deposit date: | 2008-11-05 | Release date: | 2008-12-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase. Biochemistry, 48, 2009
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2INX
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![BU of 2inx by Molmil](/molmil-images/mine/2inx) | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol | Descriptor: | 2,6-DIFLUOROPHENOL, Steroid delta-isomerase | Authors: | Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D. | Deposit date: | 2006-10-09 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole. J.Am.Chem.Soc., 130, 2008
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3AAT
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![BU of 3aat by Molmil](/molmil-images/mine/3aat) | |
2RGX
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![BU of 2rgx by Molmil](/molmil-images/mine/2rgx) | Crystal Structure of Adenylate Kinase from Aquifex Aeolicus in complex with Ap5A | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION | Authors: | Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D. | Deposit date: | 2007-10-05 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Intrinsic motions along an enzymatic reaction trajectory. Nature, 450, 2007
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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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2RH5
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![BU of 2rh5 by Molmil](/molmil-images/mine/2rh5) | Structure of Apo Adenylate Kinase from Aquifex Aeolicus | Descriptor: | Adenylate kinase | Authors: | Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D. | Deposit date: | 2007-10-05 | Release date: | 2007-12-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Intrinsic motions along an enzymatic reaction trajectory. Nature, 450, 2007
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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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1WAL
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![BU of 1wal by Molmil](/molmil-images/mine/1wal) | 3-ISOPROPYLMALATE DEHYDROGENASE (IPMDH) MUTANT (M219A)FROM THERMUS THERMOPHILUS | Descriptor: | PROTEIN (3-ISOPROPYLMALATE DEHYDROGENASE) | Authors: | Wallon, G, Kryger, G, Lovett, S.T, Oshima, T, Ringe, D, Petsko, G.A. | Deposit date: | 1999-05-17 | Release date: | 1999-05-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structures of Escherichia coli and Salmonella typhimurium 3-isopropylmalate dehydrogenase and comparison with their thermophilic counterpart from Thermus thermophilus. J.Mol.Biol., 266, 1997
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