4NVN
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![BU of 4nvn by Molmil](/molmil-images/mine/4nvn) | Predicting protein conformational response in prospective ligand discovery | Descriptor: | 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2013-12-05 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
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4NVB
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![BU of 4nvb by Molmil](/molmil-images/mine/4nvb) | |
4NVM
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![BU of 4nvm by Molmil](/molmil-images/mine/4nvm) | |
4NVI
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![BU of 4nvi by Molmil](/molmil-images/mine/4nvi) | |
4NVA
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![BU of 4nva by Molmil](/molmil-images/mine/4nva) | |
4NVL
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![BU of 4nvl by Molmil](/molmil-images/mine/4nvl) | |
4NVH
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![BU of 4nvh by Molmil](/molmil-images/mine/4nvh) | |
4NVK
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![BU of 4nvk by Molmil](/molmil-images/mine/4nvk) | Predicting protein conformational response in prospective ligand discovery. | Descriptor: | Cytochrome c peroxidase, N~2~,N~2~-diethylquinazoline-2,4-diamine, PHOSPHATE ION, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2013-12-05 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
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4NVE
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![BU of 4nve by Molmil](/molmil-images/mine/4nve) | |
4NVO
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![BU of 4nvo by Molmil](/molmil-images/mine/4nvo) | |
4NVJ
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![BU of 4nvj by Molmil](/molmil-images/mine/4nvj) | |
3ID7
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![BU of 3id7 by Molmil](/molmil-images/mine/3id7) | Crystal structure of renal dipeptidase from Streptomyces coelicolor A3(2) | Descriptor: | CHLORIDE ION, Dipeptidase, ZINC ION | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | Deposit date: | 2009-07-20 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase . Biochemistry, 49, 2010
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3HPA
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![BU of 3hpa by Molmil](/molmil-images/mine/3hpa) | Crystal structure of an amidohydrolase gi:44264246 from an evironmental sample of sargasso sea | Descriptor: | AMIDOHYDROLASE, ZINC ION | Authors: | Fedorov, A.A, Fedorov, E.V, Toro, R, Raushel, F.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-06-03 | Release date: | 2009-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The hunt for 8-oxoguanine deaminase. J.Am.Chem.Soc., 132, 2010
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3K5X
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![BU of 3k5x by Molmil](/molmil-images/mine/3k5x) | Crystal structure of dipeptidase from Streptomics coelicolor complexed with phosphinate pseudodipeptide L-Ala-D-Asp at 1.4A resolution. | Descriptor: | Dipeptidase, ZINC ION, phosphinate pseudodipeptide L-Ala-D-Asp | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | Deposit date: | 2009-10-08 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase . Biochemistry, 49, 2010
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3ITC
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![BU of 3itc by Molmil](/molmil-images/mine/3itc) | Crystal structure of Sco3058 with bound citrate and glycerol | Descriptor: | CITRIC ACID, GLYCEROL, ZINC ION, ... | Authors: | Nguyen, T.T, Cummings, J.A, Tsai, C.-L, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2009-08-28 | Release date: | 2010-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase Biochemistry, 49, 2010
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4JMS
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![BU of 4jms by Molmil](/molmil-images/mine/4jms) | |
4JQN
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![BU of 4jqn by Molmil](/molmil-images/mine/4jqn) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Hydroxybenzaldehyde | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, P-HYDROXYBENZALDEHYDE, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-20 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JMT
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![BU of 4jmt by Molmil](/molmil-images/mine/4jmt) | |
4JPU
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![BU of 4jpu by Molmil](/molmil-images/mine/4jpu) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Benzamidine | Descriptor: | BENZAMIDINE, Cytochrome c peroxidase, PHOSPHATE ION, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-19 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JQM
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![BU of 4jqm by Molmil](/molmil-images/mine/4jqm) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinazoline | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-20 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JPT
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![BU of 4jpt by Molmil](/molmil-images/mine/4jpt) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-19 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4LEN
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![BU of 4len by Molmil](/molmil-images/mine/4len) | |
4JN0
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![BU of 4jn0 by Molmil](/molmil-images/mine/4jn0) | |
4JMV
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![BU of 4jmv by Molmil](/molmil-images/mine/4jmv) | |
4JQJ
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![BU of 4jqj by Molmil](/molmil-images/mine/4jqj) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinoline | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-20 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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