2OH4
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![BU of 2oh4 by Molmil](/molmil-images/mine/2oh4) | Crystal structure of Vegfr2 with a benzimidazole-urea inhibitor | 分子名称: | METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE, SULFATE ION, Vascular endothelial growth factor receptor 2 | 著者 | Nolte, R.T, Wang, L. | 登録日 | 2007-01-09 | 公開日 | 2007-09-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors. J.Med.Chem., 50, 2007
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7VW6
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![BU of 7vw6 by Molmil](/molmil-images/mine/7vw6) | Cryo-EM Structure of Formate Dehydrogenase 1 from Methylorubrum extorquens AM1 | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Yoshikawa, T, Makino, F, Miyata, T, Suzuki, Y, Tanaka, H, Namba, K, Sowa, K, Kitazumi, Y, Shirai, O. | 登録日 | 2021-11-09 | 公開日 | 2022-06-01 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (2.19 Å) | 主引用文献 | Multiple electron transfer pathways of tungsten-containing formate dehydrogenase in direct electron transfer-type bioelectrocatalysis. Chem.Commun.(Camb.), 58, 2022
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7W2J
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![BU of 7w2j by Molmil](/molmil-images/mine/7w2j) | Cryo-EM Structure of Membrane-bound Fructose Dehydrogenase from Gluconobacter japonicus | 分子名称: | FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Fructose dehydrogenase cytochrome subunit, ... | 著者 | Suzuki, Y, Makino, F, Miyata, T, Tanaka, H, Namba, K, Sowa, K, Kitazumi, Y, Shirai, O. | 登録日 | 2021-11-24 | 公開日 | 2022-11-30 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Essential Insight of Direct Electron Transfer-Type Bioelectrocatalysis by Membrane-Bound d-Fructose Dehydrogenase with Structural Bioelectrochemistry Acs Catalysis, 13, 2023
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7WSQ
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![BU of 7wsq by Molmil](/molmil-images/mine/7wsq) | Cryo-EM Structure of Membrane-bound Fructose Dehydrogenase from Gluconobacter japonicus | 分子名称: | FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Fructose dehydrogenase cytochrome subunit, ... | 著者 | Suzuki, Y, Makino, F, Miyata, T, Tanaka, H, Namba, K, Sowa, K, Kitazumi, Y, Shirai, O. | 登録日 | 2022-02-01 | 公開日 | 2023-02-08 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Essential Insight of Direct Electron Transfer-Type Bioelectrocatalysis by Membrane-Bound d-Fructose Dehydrogenase with Structural Bioelectrochemistry Acs Catalysis, 13, 2023
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2YXW
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![BU of 2yxw by Molmil](/molmil-images/mine/2yxw) | The deletion mutant of Multicopper Oxidase CueO | 分子名称: | Blue copper oxidase cueO, COPPER (II) ION, CU-O-CU LINKAGE, ... | 著者 | Higuchi, Y, Komori, H. | 登録日 | 2007-04-27 | 公開日 | 2008-01-01 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure and function of the engineered multicopper oxidase CueO from Escherichia coli--deletion of the methionine-rich helical region covering the substrate-binding site J.Mol.Biol., 373, 2007
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6LEH
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![BU of 6leh by Molmil](/molmil-images/mine/6leh) | |
6KS0
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![BU of 6ks0 by Molmil](/molmil-images/mine/6ks0) | Crystal structure of the human adiponectin receptor 1 | 分子名称: | Adiponectin receptor protein 1, PHOSPHATE ION, The heavy chain variable domain (Antibody), ... | 著者 | Tanabe, H, Fujii, Y, Nakamura, Y, Hosaka, T, Okada-Iwabu, M, Iwabu, M, Kimura-Someya, T, Shirouzu, M, Yamauchi, T, Kadowaki, T, Yokoyama, S. | 登録日 | 2019-08-22 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Human adiponectin receptor AdipoR1 assumes closed and open structures. Commun Biol, 3, 2020
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6KS1
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![BU of 6ks1 by Molmil](/molmil-images/mine/6ks1) | Crystal structure of the human adiponectin receptor 2 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | 著者 | Tanabe, H, Fujii, Y, Nakamura, Y, Hosaka, T, Okada-Iwabu, M, Iwabu, M, Kimura-Someya, T, Shirouzu, M, Yamauchi, T, Kadowaki, T, Yokoyama, S. | 登録日 | 2019-08-22 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Human adiponectin receptor AdipoR1 assumes closed and open structures. Commun Biol, 3, 2020
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6KRZ
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![BU of 6krz by Molmil](/molmil-images/mine/6krz) | Crystal structure of the human adiponectin receptor 1 D208A mutant | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 1, OLEIC ACID, ... | 著者 | Tanabe, H, Fujii, Y, Okada-Iwabu, M, Iwabu, M, Yamauchi, T, Kadowaki, T, Yokoyama, S. | 登録日 | 2019-08-22 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Human adiponectin receptor AdipoR1 assumes closed and open structures. Commun Biol, 3, 2020
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7YV1
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![BU of 7yv1 by Molmil](/molmil-images/mine/7yv1) | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | 著者 | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | 登録日 | 2022-08-18 | 公開日 | 2023-07-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | 主引用文献 | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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7YUZ
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![BU of 7yuz by Molmil](/molmil-images/mine/7yuz) | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | 分子名称: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | 著者 | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | 登録日 | 2022-08-18 | 公開日 | 2023-07-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.878 Å) | 主引用文献 | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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4GHO
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6L01
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![BU of 6l01 by Molmil](/molmil-images/mine/6l01) | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | 分子名称: | 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B | 著者 | Mima, M, Takeuchi, T, Ushiyama, F. | 登録日 | 2019-09-25 | 公開日 | 2020-05-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation. Acs Omega, 5, 2020
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6KZV
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6KZZ
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![BU of 6kzz by Molmil](/molmil-images/mine/6kzz) | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | 分子名称: | 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | 著者 | Mima, M, Takeuchi, T, Ushiyama, F. | 登録日 | 2019-09-25 | 公開日 | 2020-05-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation. Acs Omega, 5, 2020
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1WQM
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![BU of 1wqm by Molmil](/molmil-images/mine/1wqm) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | 分子名称: | CHLORIDE ION, LYSOZYME, SODIUM ION | 著者 | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | 登録日 | 1998-02-09 | 公開日 | 1998-07-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants. Biochemistry, 37, 1998
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1WQO
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![BU of 1wqo by Molmil](/molmil-images/mine/1wqo) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | 分子名称: | CHLORIDE ION, LYSOZYME, SODIUM ION | 著者 | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | 登録日 | 1998-02-09 | 公開日 | 1998-07-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants. Biochemistry, 37, 1998
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1WQR
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![BU of 1wqr by Molmil](/molmil-images/mine/1wqr) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | 分子名称: | CHLORIDE ION, LYSOZYME, SODIUM ION | 著者 | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | 登録日 | 1998-02-09 | 公開日 | 1998-07-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants. Biochemistry, 37, 1998
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1WQP
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![BU of 1wqp by Molmil](/molmil-images/mine/1wqp) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | 分子名称: | CHLORIDE ION, LYSOZYME, SODIUM ION | 著者 | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | 登録日 | 1998-02-09 | 公開日 | 1998-07-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants. Biochemistry, 37, 1998
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1WQN
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![BU of 1wqn by Molmil](/molmil-images/mine/1wqn) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | 分子名称: | CHLORIDE ION, LYSOZYME, SODIUM ION | 著者 | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | 登録日 | 1998-02-09 | 公開日 | 1998-07-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants. Biochemistry, 37, 1998
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1WQQ
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![BU of 1wqq by Molmil](/molmil-images/mine/1wqq) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | 分子名称: | CHLORIDE ION, LYSOZYME, SODIUM ION | 著者 | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | 登録日 | 1998-02-09 | 公開日 | 1998-07-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants. Biochemistry, 37, 1998
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8DOY
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![BU of 8doy by Molmil](/molmil-images/mine/8doy) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198 | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ... | 著者 | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | 登録日 | 2022-07-14 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Potent and biostable inhibitors of the main protease of SARS-CoV-2. Iscience, 25, 2022
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3FX5
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![BU of 3fx5 by Molmil](/molmil-images/mine/3fx5) | Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography | 分子名称: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, protease | 著者 | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | 登録日 | 2009-01-20 | 公開日 | 2009-03-24 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | 主引用文献 | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography. Proc.Natl.Acad.Sci.USA, 2009
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8DPR
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![BU of 8dpr by Molmil](/molmil-images/mine/8dpr) | Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248 | 分子名称: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | 登録日 | 2022-07-16 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun, 14, 2023
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8UH8
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![BU of 8uh8 by Molmil](/molmil-images/mine/8uh8) | Crystal structure of SARS-CoV-2 main protease E166V (Apo structure) | 分子名称: | ORF1a polyprotein | 著者 | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | 登録日 | 2023-10-07 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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