1Q2E
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![BU of 1q2e by Molmil](/molmil-images/mine/1q2e) | CELLOBIOHYDROLASE CEL7A WITH LOOP DELETION 245-252 AND BOUND NON-HYDROLYSABLE CELLOTETRAOSE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EXOCELLOBIOHYDROLASE I, ... | 著者 | Stahlberg, J, Harris, M, Jones, T.A. | 登録日 | 2003-07-24 | 公開日 | 2003-11-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Engineering the exo-loop of Trichoderma reesei cellobiohydrolase, Cel7A.
A comparison with Phanerochaete chrysosporium Cel7D J.Mol.Biol., 333, 2003
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6YUW
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![BU of 6yuw by Molmil](/molmil-images/mine/6yuw) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454 | 分子名称: | 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YV2
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![BU of 6yv2 by Molmil](/molmil-images/mine/6yv2) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598 | 分子名称: | (3~{R})-1-phenylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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3T0H
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3T0Z
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![BU of 3t0z by Molmil](/molmil-images/mine/3t0z) | Hsp90 N-terminal domain bound to ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Li, J. | 登録日 | 2011-07-21 | 公開日 | 2012-01-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.192 Å) | 主引用文献 | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90. Acta Biochim Biophys Sin (Shanghai), 44, 2012
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6JME
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![BU of 6jme by Molmil](/molmil-images/mine/6jme) | Crystal structure of human DHODH in complex with inhibitor 0946 | 分子名称: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Yu, Y, Chen, Q. | 登録日 | 2019-03-08 | 公開日 | 2020-03-18 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6YV4
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![BU of 6yv4 by Molmil](/molmil-images/mine/6yv4) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 686 | 分子名称: | 1,2-ETHANEDIOL, 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hillier, J, Ruza, R.R, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YV0
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![BU of 6yv0 by Molmil](/molmil-images/mine/6yv0) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587 | 分子名称: | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YUY
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![BU of 6yuy by Molmil](/molmil-images/mine/6yuy) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Hillier, J, Ruza, R.R, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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5ZKQ
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![BU of 5zkq by Molmil](/molmil-images/mine/5zkq) | Crystal structure of the human platelet-activating factor receptor in complex with ABT-491 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, ... | 著者 | Cao, C, Zhao, Q, Zhang, X.C, Wu, B. | 登録日 | 2018-03-25 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for signal recognition and transduction by platelet-activating-factor receptor. Nat. Struct. Mol. Biol., 25, 2018
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3T10
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![BU of 3t10 by Molmil](/molmil-images/mine/3t10) | HSP90 N-terminal domain bound to ACP | 分子名称: | Heat shock protein HSP 90-alpha, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Li, J. | 登録日 | 2011-07-21 | 公開日 | 2012-01-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90. Acta Biochim Biophys Sin (Shanghai), 44, 2012
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1Q2B
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![BU of 1q2b by Molmil](/molmil-images/mine/1q2b) | CELLOBIOHYDROLASE CEL7A WITH DISULPHIDE BRIDGE ADDED ACROSS EXO-LOOP BY MUTATIONS D241C AND D249C | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, EXOCELLOBIOHYDROLASE I | 著者 | Stahlberg, J, Harris, M, Jones, T.A. | 登録日 | 2003-07-24 | 公開日 | 2003-11-25 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Engineering the exo-loop of Trichoderma reesei cellobiohydrolase, Cel7A.
A comparison with Phanerochaete chrysosporium Cel7D. J.Mol.Biol., 333, 2003
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6JYJ
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![BU of 6jyj by Molmil](/molmil-images/mine/6jyj) | Crystal structure of FAM46B (TENT5B) | 分子名称: | CITRATE ANION, Terminal nucleotidyltransferase 5B | 著者 | Zhang, H, Hu, J.L, Gao, S. | 登録日 | 2019-04-26 | 公開日 | 2020-03-04 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.693199 Å) | 主引用文献 | FAM46B is a prokaryotic-like cytoplasmic poly(A) polymerase essential in human embryonic stem cells. Nucleic Acids Res., 48, 2020
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3TYA
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4NNG
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7FBJ
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![BU of 7fbj by Molmil](/molmil-images/mine/7fbj) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, ... | 著者 | Zhu, J, Xu, T, Feng, B, Liu, J. | 登録日 | 2021-07-11 | 公開日 | 2022-07-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape. Small Methods, 6, 2022
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7FBK
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![BU of 7fbk by Molmil](/molmil-images/mine/7fbk) | Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, Spike protein S1 | 著者 | Zhu, J, Xu, T, Feng, B, Liu, J. | 登録日 | 2021-07-11 | 公開日 | 2022-07-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape. Small Methods, 6, 2022
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3UAS
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![BU of 3uas by Molmil](/molmil-images/mine/3uas) | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | 登録日 | 2011-10-21 | 公開日 | 2013-01-09 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.939 Å) | 主引用文献 | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis. Biochemistry, 52, 2013
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5ZKP
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![BU of 5zkp by Molmil](/molmil-images/mine/5zkp) | Crystal structure of the human platelet-activating factor receptor in complex with SR 27417 | 分子名称: | FLAVIN MONONUCLEOTIDE, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor | 著者 | Cao, C, Zhao, Q, Zhang, X.C, Wu, B. | 登録日 | 2018-03-25 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Structural basis for signal recognition and transduction by platelet-activating-factor receptor. Nat. Struct. Mol. Biol., 25, 2018
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4NNH
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3TYE
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![BU of 3tye by Molmil](/molmil-images/mine/3tye) | Dihydropteroate Synthase in complex with DHP-STZ | 分子名称: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, ... | 著者 | Yun, M.-K, White, S.W. | 登録日 | 2011-09-24 | 公開日 | 2012-03-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Catalysis and sulfa drug resistance in dihydropteroate synthase. Science, 335, 2012
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3TYU
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4NNI
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![BU of 4nni by Molmil](/molmil-images/mine/4nni) | Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide | 分子名称: | 30S ribosomal protein S1, PYRAZINE-2-CARBOXYLIC ACID | 著者 | Yang, J, Liu, Y, Cai, Q, Lin, D. | 登録日 | 2013-11-18 | 公開日 | 2014-12-24 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide. Mol.Microbiol., 95, 2015
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4NNK
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3TYB
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![BU of 3tyb by Molmil](/molmil-images/mine/3tyb) | |