8KHP
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![BU of 8khp by Molmil](/molmil-images/mine/8khp) | CULLIN3-KLHL22-RBX1 E3 ligase | 分子名称: | Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch-like protein 22 | 著者 | Su, M.-Y, Su, M.-Y. | 登録日 | 2023-08-22 | 公開日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.67 Å) | 主引用文献 | Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme. Structure, 31, 2023
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7K1K
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![BU of 7k1k by Molmil](/molmil-images/mine/7k1k) | CryoEM structure of inactivated-form DNA-PK (Complex IV) | 分子名称: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | 著者 | Chen, X, Gellert, M, Yang, W. | 登録日 | 2020-09-07 | 公開日 | 2021-01-06 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
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7VY4
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8P0F
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![BU of 8p0f by Molmil](/molmil-images/mine/8p0f) | Crystal structure of the VCB complex with compound 1. | 分子名称: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ... | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | 登録日 | 2023-05-10 | 公開日 | 2023-05-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders Chemrxiv, 2023
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2YIS
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![BU of 2yis by Molmil](/molmil-images/mine/2yis) | triazolopyridine inhibitors of p38 kinase. | 分子名称: | 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M. | 登録日 | 2011-05-16 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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7NH4
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7NH5
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2YIX
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![BU of 2yix by Molmil](/molmil-images/mine/2yix) | Triazolopyridine Inhibitors of p38 | 分子名称: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | 登録日 | 2011-05-17 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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4EJN
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![BU of 4ejn by Molmil](/molmil-images/mine/4ejn) | Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | 分子名称: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | 著者 | Eathiraj, S. | 登録日 | 2012-04-06 | 公開日 | 2012-05-23 | 最終更新日 | 2013-01-02 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. J.Med.Chem., 55, 2012
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2ZAZ
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1UL1
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![BU of 1ul1 by Molmil](/molmil-images/mine/1ul1) | Crystal structure of the human FEN1-PCNA complex | 分子名称: | Flap endonuclease-1, MAGNESIUM ION, Proliferating cell nuclear antigen | 著者 | Sakurai, S, Kitano, K, Yamaguchi, H, Hamada, K, Okada, K, Fukuda, K, Uchida, M, Ohtsuka, E, Morioka, H, Hakoshima, T. | 登録日 | 2003-09-05 | 公開日 | 2005-03-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for recruitment of human flap endonuclease 1 to PCNA EMBO J., 24, 2005
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4R7A
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![BU of 4r7a by Molmil](/molmil-images/mine/4r7a) | Crystal Structure of RBBP4 bound to PHF6 peptide | 分子名称: | GLYCEROL, Histone-binding protein RBBP4, PHD finger protein 6 | 著者 | Liu, Z, Li, F, Zhang, B, Li, S, Wu, J, Shi, Y. | 登録日 | 2014-08-27 | 公開日 | 2015-01-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural Basis of Plant Homeodomain Finger 6 (PHF6) Recognition by the Retinoblastoma Binding Protein 4 (RBBP4) Component of the Nucleosome Remodeling and Deacetylase (NuRD) Complex J.Biol.Chem., 290, 2015
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3BX5
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![BU of 3bx5 by Molmil](/molmil-images/mine/3bx5) | P38 alpha map kinase complexed with BMS-640994 | 分子名称: | Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide | 著者 | Sack, J.S. | 登録日 | 2008-01-11 | 公開日 | 2008-04-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor Bioorg.Med.Chem.Lett., 18, 2008
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6MON
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![BU of 6mon by Molmil](/molmil-images/mine/6mon) | Crystal structure of human SMYD2 in complex with Nle-peptide inhibitor | 分子名称: | GLYCEROL, LYS-LEU-NLE-SER-LYS-ARG-GLY, N-lysine methyltransferase SMYD2, ... | 著者 | Spellmon, N, Cornett, E, Brunzelle, J, Rothbart, S, Yang, Z. | 登録日 | 2018-10-04 | 公開日 | 2018-12-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.711 Å) | 主引用文献 | A functional proteomics platform to reveal the sequence determinants of lysine methyltransferase substrate selectivity. Sci Adv, 4, 2018
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6PWW
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![BU of 6pww by Molmil](/molmil-images/mine/6pww) | Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome | 分子名称: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | 著者 | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | 登録日 | 2019-07-23 | 公開日 | 2019-12-18 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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1DI9
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![BU of 1di9 by Molmil](/molmil-images/mine/1di9) | THE STRUCTURE OF P38 MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE | 分子名称: | 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE, P38 KINASE | 著者 | Shewchuk, L, Hassell, A, Kuyper, L.F. | 登録日 | 1999-11-29 | 公開日 | 2000-11-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase. J.Med.Chem., 43, 2000
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8IYJ
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![BU of 8iyj by Molmil](/molmil-images/mine/8iyj) | Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm | 分子名称: | Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ... | 著者 | Zhou, L.N, Gui, M, Wu, J.P. | 登録日 | 2023-04-05 | 公開日 | 2023-07-05 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility. Cell, 186, 2023
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7P4S
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![BU of 7p4s by Molmil](/molmil-images/mine/7p4s) | BROMODOMAIN OF HUMAN TAF1 (2) WITH naphthyridinone compound | 分子名称: | 8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one, Isoform 2a of Transcription initiation factor TFIID subunit 1 | 著者 | Chung, C. | 登録日 | 2021-07-13 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Optimization of Naphthyridones into Selective TATA-Binding Protein Associated Factor 1 (TAF1) Bromodomain Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7CL0
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![BU of 7cl0 by Molmil](/molmil-images/mine/7cl0) | Crystal structure of human SIRT6 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | 著者 | Song, K, Zhang, J. | 登録日 | 2020-07-20 | 公開日 | 2021-02-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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7CL1
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6PWV
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![BU of 6pwv by Molmil](/molmil-images/mine/6pwv) | Cryo-EM structure of MLL1 core complex bound to the nucleosome | 分子名称: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | 著者 | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | 登録日 | 2019-07-23 | 公開日 | 2019-12-18 | 最終更新日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | 主引用文献 | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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7UNG
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![BU of 7ung by Molmil](/molmil-images/mine/7ung) | 48-nm repeat of the human respiratory doublet microtubule | 分子名称: | Cilia- and flagella-associated protein 161, Cilia- and flagella-associated protein 20, Cilia- and flagella-associated protein 45, ... | 著者 | Gui, M, Croft, J.T, Zabeo, D, Acharya, V, Kollman, J.M, Burgoyne, T, Hoog, J.L, Brown, A. | 登録日 | 2022-04-11 | 公開日 | 2022-10-05 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | SPACA9 is a lumenal protein of human ciliary singlet and doublet microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
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7M40
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![BU of 7m40 by Molmil](/molmil-images/mine/7m40) | Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4) | 分子名称: | Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine | 著者 | Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC) | 登録日 | 2021-03-19 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4) To Be Published
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6OI0
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![BU of 6oi0 by Molmil](/molmil-images/mine/6oi0) | Crystal structure of human WDR5 in complex with L-arginine | 分子名称: | ARGININE, GLYCEROL, SULFATE ION, ... | 著者 | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | 登録日 | 2019-04-08 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
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1R3C
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![BU of 1r3c by Molmil](/molmil-images/mine/1r3c) | THE STRUCTURE OF P38ALPHA C162S MUTANT | 分子名称: | MAGNESIUM ION, Mitogen-activated protein kinase 14 | 著者 | Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G. | 登録日 | 2003-10-01 | 公開日 | 2004-01-20 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering. Biochim.Biophys.Acta, 1696, 2004
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