7DEO
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![BU of 7deo by Molmil](/molmil-images/mine/7deo) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | 著者 | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | 登録日 | 2020-11-04 | 公開日 | 2021-03-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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7DET
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![BU of 7det by Molmil](/molmil-images/mine/7det) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | 著者 | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | 登録日 | 2020-11-05 | 公開日 | 2021-03-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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7DEU
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![BU of 7deu by Molmil](/molmil-images/mine/7deu) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | 著者 | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | 登録日 | 2020-11-05 | 公開日 | 2021-03-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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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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6KJY
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![BU of 6kjy by Molmil](/molmil-images/mine/6kjy) | Galectin-13 variant C136S/C138S | 分子名称: | Galactoside-binding soluble lectin 13 | 著者 | Su, J. | 登録日 | 2019-07-23 | 公開日 | 2019-10-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution. Glycobiology, 30, 2020
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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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6ITJ
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![BU of 6itj by Molmil](/molmil-images/mine/6itj) | Crystal structure of FGFR1 kinase domain in complex with compound 3 | 分子名称: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | 著者 | Xu, Y, Liu, Q. | 登録日 | 2018-11-23 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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6IUP
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![BU of 6iup by Molmil](/molmil-images/mine/6iup) | Crystal structure of FGFR4 kinase domain in complex with compound 5 | 分子名称: | DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide | 著者 | Xu, Y, Liu, Q. | 登録日 | 2018-11-29 | 公開日 | 2019-11-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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8I71
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![BU of 8i71 by Molmil](/molmil-images/mine/8i71) | Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM) | 分子名称: | 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ... | 著者 | Zhou, Z, Xu, Z.H. | 登録日 | 2023-01-30 | 公開日 | 2023-03-22 | 最終更新日 | 2023-04-05 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection. J.Med.Chem., 66, 2023
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6IUO
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![BU of 6iuo by Molmil](/molmil-images/mine/6iuo) | Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | 分子名称: | Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | 著者 | Xu, Y, Liu, Q. | 登録日 | 2018-11-29 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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8XRT
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![BU of 8xrt by Molmil](/molmil-images/mine/8xrt) | The crystal structure of a GH3 enzyme CcBgl3B | 分子名称: | CALCIUM ION, GH3 enzyme CcBgl3B | 著者 | Su, J.Y. | 登録日 | 2024-01-08 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8XRV
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![BU of 8xrv by Molmil](/molmil-images/mine/8xrv) | The crystal structure of a GH3 enzyme CcBgl3B with glucose | 分子名称: | CALCIUM ION, GH3 enzyme CcBgl3B, beta-D-glucopyranose | 著者 | Su, J.Y. | 登録日 | 2024-01-08 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8XRX
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8XRU
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![BU of 8xru by Molmil](/molmil-images/mine/8xru) | The crystal structure of a GH3 enzyme CcBgl3B with glycerol | 分子名称: | CALCIUM ION, GH3 enzyme CcBgl3B, GLYCEROL | 著者 | Su, J.Y. | 登録日 | 2024-01-08 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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7WZO
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![BU of 7wzo by Molmil](/molmil-images/mine/7wzo) | |
7VNU
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![BU of 7vnu by Molmil](/molmil-images/mine/7vnu) | |
2GPE
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![BU of 2gpe by Molmil](/molmil-images/mine/2gpe) | |
2GU8
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![BU of 2gu8 by Molmil](/molmil-images/mine/2gu8) | |
6JIX
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![BU of 6jix by Molmil](/molmil-images/mine/6jix) | The cyrstal structure of taurine:2-oxoglutarate aminotransferase from Bifidobacterium kashiwanohense, in complex with PLP and glutamate | 分子名称: | GLUTAMIC ACID, PYRIDOXAL-5'-PHOSPHATE, taurine:2-oxoglutarate aminotransferase | 著者 | Li, M, Lin, L, Zhang, Y, Yuchi, Z. | 登録日 | 2019-02-23 | 公開日 | 2020-01-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.647 Å) | 主引用文献 | Biochemical and structural investigation of taurine:2-oxoglutarate aminotransferase fromBifidobacterium kashiwanohense. Biochem.J., 476, 2019
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8YLB
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![BU of 8ylb by Molmil](/molmil-images/mine/8ylb) | Cocrystal structures of agonists compound 1 with HsClpP | 分子名称: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | 著者 | Zhao, N, Zhu, Y, Bao, R. | 登録日 | 2024-03-06 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity. J.Med.Chem., 67, 2024
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6JLC
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6JM8
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![BU of 6jm8 by Molmil](/molmil-images/mine/6jm8) | Crystal structure of Ostrinia furnacalis Group IV chitinase | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ofchtiv-g5 | 著者 | Liu, T, Yang, Q. | 登録日 | 2019-03-07 | 公開日 | 2020-03-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.911 Å) | 主引用文献 | Structure and property of group IV insect chitinase, a potential drug target and biopesticide Insect Biochem.Mol.Biol., 119, 2020
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6JM7
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6JMB
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8J5X
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![BU of 8j5x by Molmil](/molmil-images/mine/8j5x) | The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.09192252 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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