4JM8
 
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,6-diaminopyridine | | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-13 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JMA
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-Fluorocatechol | | 分子名称: | 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-13 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JM5
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-Amino-5-methylthiazole | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I, Shoichet, B.K. | | 登録日 | 2013-03-13 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JM9
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-amino-1-methylpyridinium | | 分子名称: | 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, Cytochrome c peroxidase, IODIDE ION, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-13 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JQN
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Hydroxybenzaldehyde | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, P-HYDROXYBENZALDEHYDE, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-20 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JPU
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Benzamidine | | 分子名称: | BENZAMIDINE, Cytochrome c peroxidase, PHOSPHATE ION, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-19 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JQM
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinazoline | | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-20 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JMW
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4JMZ
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4JPT
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine | | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-19 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JPL
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole | | 分子名称: | 1H-pyrrolo[3,2-b]pyridine, Cytochrome c peroxidase, PHOSPHATE ION, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-19 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JQK
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol | | 分子名称: | 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-20 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JM6
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine | | 分子名称: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Boyce, S.E, Fischer, M, Fish, I. | | 登録日 | 2013-03-13 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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7QGC
 | | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 5.5 | | 分子名称: | 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ... | | 著者 | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | | 登録日 | 2021-12-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
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7QGD
 | | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 8.5 | | 分子名称: | 5,6-DIBROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | | 著者 | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | | 登録日 | 2021-12-08 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
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7QGE
 | | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6,7,8-TETRABROMOBENZOTRIAZOLE (TBBt) AT PH 8.5 | | 分子名称: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | | 著者 | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | | 登録日 | 2021-12-08 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
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7QGB
 | | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 6.5 | | 分子名称: | 5,6-DIBROMOBENZOTRIAZOLE, Casein kinase II subunit alpha | | 著者 | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | | 登録日 | 2021-12-08 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
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1P7G
 | | Crystal structure of superoxide dismutase from Pyrobaculum aerophilum | | 分子名称: | ACETATE ION, BETA-MERCAPTOETHANOL, Superoxide dismutase | | 著者 | Lee, S, Sawaya, M.R, Eisenberg, D. | | 登録日 | 2003-05-01 | | 公開日 | 2003-12-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of superoxide dismutase from Pyrobaculum aerophilum presents a challenging case in molecular replacement with multiple molecules, pseudo-symmetry and twinning.
Acta Crystallogr.,Sect.D, 59, 2003
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1PSV
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4NRV
 | | Crystal Structure of non-edited human NEIL1 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endonuclease 8-like 1 | | 著者 | Prakash, A, Doublie, S. | | 登録日 | 2013-11-27 | | 公開日 | 2014-01-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | | 主引用文献 | Genome and cancer single nucleotide polymorphisms of the human NEIL1 DNA glycosylase: Activity, structure, and the effect of editing.
Dna Repair, 14, 2014
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4NRW
 | | MvNei1-G86D | | 分子名称: | 5'-D(*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*C)-3', 5'-D(*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', formamidopyrimidine-DNA glycosylase | | 著者 | Prakash, A, Doublie, S. | | 登録日 | 2013-11-27 | | 公開日 | 2014-01-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.845 Å) | | 主引用文献 | Genome and cancer single nucleotide polymorphisms of the human NEIL1 DNA glycosylase: Activity, structure, and the effect of editing.
Dna Repair, 14, 2014
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5TMC
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6MNH
 | | ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, ... | | 著者 | Hendle, J, Sauder, J.M, Hickey, M.J, Rauch, C.T, Maletic, M, Schwinn, K.D. | | 登録日 | 2018-10-01 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Idea2Data: Toward a New Paradigm for Drug Discovery.
Acs Med.Chem.Lett., 10, 2019
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6OP6
 | | Structure of VIM-20 in the reduced state | | 分子名称: | Metallo-beta-lactamase VIM-20, SODIUM ION, ZINC ION | | 著者 | Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C. | | 登録日 | 2019-04-24 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019
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1N0X
 | | Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope | | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, B2.1 peptide, GLYCEROL, ... | | 著者 | Saphire, E.O, Montero, M, Menendez, A, Irving, M.B, Zwick, M.B, Parren, P.W.H.I, Burton, D.R, Scott, J.K, Wilson, I.A. | | 登録日 | 2002-10-15 | | 公開日 | 2004-04-13 | | 最終更新日 | 2017-06-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope
To be Published
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