4NVG
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4NVJ
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4NVF
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4NVN
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![BU of 4nvn by Molmil](/molmil-images/mine/4nvn) | Predicting protein conformational response in prospective ligand discovery | 分子名称: | 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2013-12-05 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | 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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4NVO
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4NVK
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![BU of 4nvk by Molmil](/molmil-images/mine/4nvk) | Predicting protein conformational response in prospective ligand discovery. | 分子名称: | Cytochrome c peroxidase, N~2~,N~2~-diethylquinazoline-2,4-diamine, PHOSPHATE ION, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2013-12-05 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
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4NVD
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4NVI
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4NVC
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4NVA
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4NVL
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4NVH
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4NVB
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4NVM
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4OQ7
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4XV5
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![BU of 4xv5 by Molmil](/molmil-images/mine/4xv5) | CcP gateless cavity | 分子名称: | BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2015-01-26 | 公開日 | 2015-02-25 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV7
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![BU of 4xv7 by Molmil](/molmil-images/mine/4xv7) | CcP gateless cavity | 分子名称: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2015-01-26 | 公開日 | 2015-02-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV8
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![BU of 4xv8 by Molmil](/molmil-images/mine/4xv8) | CcP gateless cavity | 分子名称: | BENZAMIDINE, Cytochrome c peroxidase, mitochondrial, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2015-01-26 | 公開日 | 2015-02-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV6
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![BU of 4xv6 by Molmil](/molmil-images/mine/4xv6) | CcP gateless cavity | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, mitochondrial, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2015-01-26 | 公開日 | 2015-02-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XVA
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4XV4
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![BU of 4xv4 by Molmil](/molmil-images/mine/4xv4) | CcP gateless cavity | 分子名称: | 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, mitochondrial, ... | 著者 | Fischer, M, Fraser, J.S. | 登録日 | 2015-01-26 | 公開日 | 2015-02-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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5U5U
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![BU of 5u5u by Molmil](/molmil-images/mine/5u5u) | CcP gateless cavity | 分子名称: | ISONICOTINAMIDINE, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5Y
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![BU of 5u5y by Molmil](/molmil-images/mine/5u5y) | CcP gateless cavity | 分子名称: | 2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U60
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![BU of 5u60 by Molmil](/molmil-images/mine/5u60) | CcP gateless cavity | 分子名称: | (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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