7U5H
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7U5K
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![BU of 7u5k by Molmil](/molmil-images/mine/7u5k) | Cryo-EM Structure of DPYSL2 | 分子名称: | Dihydropyrimidinase-related protein 2 | 著者 | Morgan, C.E, Yu, E.W. | 登録日 | 2022-03-02 | 公開日 | 2022-12-14 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.78 Å) | 主引用文献 | Toward structural-omics of the bovine retinal pigment epithelium. Cell Rep, 41, 2022
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7U5N
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7U5I
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7U5L
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7C3N
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![BU of 7c3n by Molmil](/molmil-images/mine/7c3n) | Crystal structure of JAK3 in complex with Delgocitinib | 分子名称: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | 著者 | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | 登録日 | 2020-05-13 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders. J.Med.Chem., 63, 2020
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5ZM4
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![BU of 5zm4 by Molmil](/molmil-images/mine/5zm4) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid C | 分子名称: | (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ... | 著者 | Nakashima, Y, Senda, T. | 登録日 | 2018-04-01 | 公開日 | 2018-07-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis. J. Am. Chem. Soc., 140, 2018
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5O6Y
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![BU of 5o6y by Molmil](/molmil-images/mine/5o6y) | Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, ... | 著者 | Fadouloglou, V.E, Kotsifaki, D, Kokkinidis, M. | 登録日 | 2017-06-07 | 公開日 | 2018-06-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | 主引用文献 | Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide To Be Published
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4L1G
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5ZM2
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5ZM3
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![BU of 5zm3 by Molmil](/molmil-images/mine/5zm3) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid B | 分子名称: | (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ... | 著者 | Nakashima, Y, Senda, T. | 登録日 | 2018-04-01 | 公開日 | 2018-07-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis. J. Am. Chem. Soc., 140, 2018
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1AQI
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![BU of 1aqi by Molmil](/molmil-images/mine/1aqi) | STRUCTURE OF ADENINE-N6-DNA-METHYLTRANSFERASE TAQI | 分子名称: | ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Schluckebier, G, Saenger, W. | 登録日 | 1996-07-25 | 公開日 | 1997-02-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI. J.Mol.Biol., 265, 1997
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1AQJ
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7DV6
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![BU of 7dv6 by Molmil](/molmil-images/mine/7dv6) | Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor (TGF-beta RII) Inhibitors as Anti-Fibrosis Agents | 分子名称: | 5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine, TGF-beta receptor type-2 | 著者 | Nishihata, J, Nomura, A, Miwa, S, Doi, S, Adachi, T. | 登録日 | 2021-01-12 | 公開日 | 2021-06-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Discovery of Selective Transforming Growth Factor beta Type II Receptor Inhibitors as Antifibrosis Agents. Acs Med.Chem.Lett., 12, 2021
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1G38
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![BU of 1g38 by Molmil](/molmil-images/mine/1g38) | ADENINE-SPECIFIC METHYLTRANSFERASE M. TAQ I/DNA COMPLEX | 分子名称: | 5'-D(*GP*AP*CP*AP*TP*CP*GP*(6MA)P*AP*C)-3', 5'-D(*GP*TP*TP*CP*GP*AP*TP*GP*TP*C)-3', 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE, ... | 著者 | Goedecke, K, Pignot, M, Goody, R.S, Scheidig, A.J, Weinhold, E. | 登録日 | 2000-10-23 | 公開日 | 2001-03-05 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of the N6-adenine DNA methyltransferase M.TaqI in complex with DNA and a cofactor analog. Nat.Struct.Biol., 8, 2001
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2DCW
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2DCV
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8EZ6
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7YCE
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![BU of 7yce by Molmil](/molmil-images/mine/7yce) | KRas G12C in complex with Compound 7b | 分子名称: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Amano, Y. | 登録日 | 2022-07-01 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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7YCC
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![BU of 7ycc by Molmil](/molmil-images/mine/7ycc) | KRas G12C in complex with Compound 5c | 分子名称: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Amano, Y. | 登録日 | 2022-07-01 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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8X6R
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![BU of 8x6r by Molmil](/molmil-images/mine/8x6r) | KRasG12C in complex with inhibitor | 分子名称: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Amano, Y, Tateishi, Y. | 登録日 | 2023-11-21 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors. Bioorg.Med.Chem., 98, 2023
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4ZHK
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![BU of 4zhk by Molmil](/molmil-images/mine/4zhk) | Crystal structure of RPE65 in complex with MB-002 | 分子名称: | (1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, (1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, FE (II) ION, ... | 著者 | Kiser, P.D, Palczewski, K. | 登録日 | 2015-04-25 | 公開日 | 2015-05-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Molecular pharmacodynamics of emixustat in protection against retinal degeneration. J.Clin.Invest., 125, 2015
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2ADM
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![BU of 2adm by Molmil](/molmil-images/mine/2adm) | ADENINE-N6-DNA-METHYLTRANSFERASE TAQI | 分子名称: | ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYLMETHIONINE | 著者 | Schluckebier, G, Saenger, W. | 登録日 | 1996-07-15 | 公開日 | 1997-01-27 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI. J.Mol.Biol., 265, 1997
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8DMB
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![BU of 8dmb by Molmil](/molmil-images/mine/8dmb) | Structure of Desulfovirgula thermocuniculi IsrB (DtIsrB) in complex with omega RNA and target DNA | 分子名称: | MAGNESIUM ION, Ubiquitin-like protein SMT3,IsrB protein,monomeric superfolder Green Fluorescent Protein, non-target DNA, ... | 著者 | Seiichi, H, Kappel, K, Zhang, F. | 登録日 | 2022-07-08 | 公開日 | 2022-10-19 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structure of the OMEGA nickase IsrB in complex with omega RNA and target DNA. Nature, 610, 2022
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7ROZ
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