6KG2
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![BU of 6kg2 by Molmil](/molmil-images/mine/6kg2) | Human MTHFD2 in complex with Compound 18 | 分子名称: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ... | 著者 | Suzuki, M, Matsui, Y, Ota, M, Kawai, J. | 登録日 | 2019-07-10 | 公開日 | 2019-11-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J.Med.Chem., 62, 2019
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7VI0
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![BU of 7vi0 by Molmil](/molmil-images/mine/7vi0) | Crystal structure of EP300 HAT domain in complex with compound 11 | 分子名称: | (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2021-09-24 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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7VHY
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![BU of 7vhy by Molmil](/molmil-images/mine/7vhy) | |
7VHZ
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![BU of 7vhz by Molmil](/molmil-images/mine/7vhz) | Crystal structure of EP300 HAT domain in complex with compound 7 | 分子名称: | (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2021-09-24 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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7BQS
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![BU of 7bqs by Molmil](/molmil-images/mine/7bqs) | Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology | 分子名称: | Nomur | 著者 | Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | 登録日 | 2020-03-25 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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7BQR
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![BU of 7bqr by Molmil](/molmil-images/mine/7bqr) | Solution NMR structure of fold-K Mussoc; de novo designed protein with an asymmetric all-alpha topology | 分子名称: | Mussoc | 著者 | Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | 登録日 | 2020-03-25 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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4X68
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![BU of 4x68 by Molmil](/molmil-images/mine/4x68) | Crystal Structure of OP0595 complexed with AmpC | 分子名称: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, NICKEL (II) ION | 著者 | Yamada, M, Watanabe, T. | 登録日 | 2014-12-07 | 公開日 | 2015-07-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | OP0595, a new diazabicyclooctane: mode of action as a serine beta-lactamase inhibitor, antibiotic and beta-lactam 'enhancer' J.Antimicrob.Chemother., 70, 2015
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4X69
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![BU of 4x69 by Molmil](/molmil-images/mine/4x69) | Crystal structure of OP0595 complexed with CTX-M-44 | 分子名称: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase Toho-1 | 著者 | Yamada, M, Watanabe, T. | 登録日 | 2014-12-07 | 公開日 | 2015-07-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | OP0595, a new diazabicyclooctane: mode of action as a serine beta-lactamase inhibitor, antibiotic and beta-lactam 'enhancer' J.Antimicrob.Chemother., 70, 2015
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7JTP
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![BU of 7jtp by Molmil](/molmil-images/mine/7jtp) | Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | 分子名称: | Elongin-B, Elongin-C, GLYCEROL, ... | 著者 | Kottur, J, Jain, R, Aggarwal, A.K. | 登録日 | 2020-08-18 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models. Sci Transl Med, 13, 2021
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7JTO
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![BU of 7jto by Molmil](/molmil-images/mine/7jto) | Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ... | 著者 | Kottur, J, Jain, R, Aggarwal, A.K. | 登録日 | 2020-08-18 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models. Sci Transl Med, 13, 2021
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7BQN
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![BU of 7bqn by Molmil](/molmil-images/mine/7bqn) | Solution NMR structure of fold-C Rei; de novo designed protein with an asymmetric all-alpha topology | 分子名称: | Rei | 著者 | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | 登録日 | 2020-03-25 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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3DF0
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![BU of 3df0 by Molmil](/molmil-images/mine/3df0) | Calcium-dependent complex between m-calpain and calpastatin | 分子名称: | CALCIUM ION, Calpain small subunit 1, Calpain-2 catalytic subunit, ... | 著者 | Moldoveanu, T, Gehring, K, Green, D.R. | 登録日 | 2008-06-11 | 公開日 | 2008-11-11 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Concerted multi-pronged attack by calpastatin to occlude the catalytic cleft of heterodimeric calpains. Nature, 456, 2008
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1UEA
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![BU of 1uea by Molmil](/molmil-images/mine/1uea) | MMP-3/TIMP-1 COMPLEX | 分子名称: | CALCIUM ION, MATRIX METALLOPROTEINASE-3, TISSUE INHIBITOR OF METALLOPROTEINASE-1, ... | 著者 | Bode, W, Maskos, K, Gomis-Rueth, F.-X, Nagase, H. | 登録日 | 1997-06-06 | 公開日 | 1998-10-14 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Mechanism of inhibition of the human matrix metalloproteinase stromelysin-1 by TIMP-1. Nature, 389, 1997
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1QTO
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![BU of 1qto by Molmil](/molmil-images/mine/1qto) | 1.5 A CRYSTAL STRUCTURE OF A BLEOMYCIN RESISTANCE DETERMINANT FROM BLEOMYCIN-PRODUCING STREPTOMYCES VERTICILLUS | 分子名称: | BLEOMYCIN-BINDING PROTEIN | 著者 | Kawano, Y, Kumagai, T, Muta, K, Matoba, Y, Davies, J, Sugiyama, M. | 登録日 | 1999-06-28 | 公開日 | 2000-06-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The 1.5 A crystal structure of a bleomycin resistance determinant from bleomycin-producing Streptomyces verticillus. J.Mol.Biol., 295, 2000
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5JH9
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![BU of 5jh9 by Molmil](/molmil-images/mine/5jh9) | Crystal structure of prApe1 | 分子名称: | CACODYLATE ION, Vacuolar aminopeptidase 1, ZINC ION | 著者 | Noda, N.N, Adachi, W, Inagaki, F. | 登録日 | 2016-04-20 | 公開日 | 2016-06-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Basis for Receptor-Mediated Selective Autophagy of Aminopeptidase I Aggregates Cell Rep, 16, 2016
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5ZOH
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![BU of 5zoh by Molmil](/molmil-images/mine/5zoh) | |
6A6S
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![BU of 6a6s by Molmil](/molmil-images/mine/6a6s) | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans in complex with FSA, Seleno-methionine Derivative | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | 登録日 | 2018-06-29 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis. Sci Rep, 9, 2019
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6A6U
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![BU of 6a6u by Molmil](/molmil-images/mine/6a6u) | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with R61G mutation, in complex with FSA | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | 登録日 | 2018-06-29 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.945 Å) | 主引用文献 | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis. Sci Rep, 9, 2019
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6A6V
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![BU of 6a6v by Molmil](/molmil-images/mine/6a6v) | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with 7 additional mutations, in complex with FSA | 分子名称: | 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase | 著者 | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | 登録日 | 2018-06-29 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis. Sci Rep, 9, 2019
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6A6T
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![BU of 6a6t by Molmil](/molmil-images/mine/6a6t) | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with R61G mutation | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase, ... | 著者 | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | 登録日 | 2018-06-29 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis. Sci Rep, 9, 2019
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6A6R
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![BU of 6a6r by Molmil](/molmil-images/mine/6a6r) | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans, Seleno-methionine Derivative | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase, ... | 著者 | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | 登録日 | 2018-06-29 | 公開日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (2.609 Å) | 主引用文献 | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis. Sci Rep, 9, 2019
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1IT4
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![BU of 1it4 by Molmil](/molmil-images/mine/1it4) | Solution structure of the prokaryotic Phospholipase A2 from Streptomyces violaceoruber | 分子名称: | CALCIUM ION, phospholipase A2 | 著者 | Ohtani, K, Sugiyama, M, Izuhara, M, Koike, T. | 登録日 | 2002-01-08 | 公開日 | 2002-09-04 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | A novel prokaryotic phospholipase A2. Characterization, gene cloning, and solution structure. J.BIOL.CHEM., 277, 2002
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1IT5
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![BU of 1it5 by Molmil](/molmil-images/mine/1it5) | Solution structure of apo-type PLA2 from Streptomyces violaceruber A-2688. | 分子名称: | Phospholipase A2 | 著者 | Sugiyama, M, Ohtani, K, Izuhara, M, Koike, T. | 登録日 | 2002-01-09 | 公開日 | 2002-09-04 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | A novel prokaryotic phospholipase A2. Characterization, gene cloning, and solution structure. J.Biol.Chem., 277, 2002
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8J81
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![BU of 8j81 by Molmil](/molmil-images/mine/8j81) | MDM2 bound with a peptoid | 分子名称: | (2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2 | 著者 | Yokomine, M, Fukuda, Y, Ago, H, Matsuura, H, Ueno, G, Nagatoishi, S, Yamamoto, M, Tsumoto, K, Jumpei, M, Sando, S. | 登録日 | 2023-04-28 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | A structural and physicochemical study of how a peptoid binds to a protein To Be Published
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7X8Z
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![BU of 7x8z by Molmil](/molmil-images/mine/7x8z) | |