8OR4
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![BU of 8or4 by Molmil](/molmil-images/mine/8or4) | Partially dissociated CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 | 分子名称: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ... | 著者 | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | 登録日 | 2023-04-13 | 公開日 | 2023-06-28 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange. Mol.Cell, 83, 2023
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4LMM
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![BU of 4lmm by Molmil](/molmil-images/mine/4lmm) | Crystal structure of NHERF1 PDZ1 domain complexed with the CXCR2 C-terminal tail in P21 space group | 分子名称: | ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | 著者 | Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | 登録日 | 2013-07-10 | 公開日 | 2014-01-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping. Plos One, 8, 2013
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3ZSH
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![BU of 3zsh by Molmil](/molmil-images/mine/3zsh) | X-ray structure of p38alpha bound to SCIO-469 | 分子名称: | 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, MITOGEN-ACTIVATED PROTEIN KINASE 14, octyl beta-D-glucopyranoside | 著者 | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | 登録日 | 2011-06-28 | 公開日 | 2012-06-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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8OR2
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![BU of 8or2 by Molmil](/molmil-images/mine/8or2) | CAND1-CUL1-RBX1-DCNL1 | 分子名称: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, DCN1-like protein 1, ... | 著者 | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | 登録日 | 2023-04-12 | 公開日 | 2023-06-28 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange. Mol.Cell, 83, 2023
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5AEH
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8OR0
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![BU of 8or0 by Molmil](/molmil-images/mine/8or0) | CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 | 分子名称: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ... | 著者 | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | 登録日 | 2023-04-12 | 公開日 | 2023-06-28 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange. Mol.Cell, 83, 2023
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6S29
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5ZO7
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![BU of 5zo7 by Molmil](/molmil-images/mine/5zo7) | Kinesin spindle protein Eg5 in complex with STLC-type inhibitor PVEI0138 | 分子名称: | (2R)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | 著者 | Yokoyama, H, Sato, K. | 登録日 | 2018-04-12 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors. Acs Omega, 3, 2018
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4N3R
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![BU of 4n3r by Molmil](/molmil-images/mine/4n3r) | Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide) | 分子名称: | 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide, Tankyrase-1, ZINC ION | 著者 | Huang, X. | 登録日 | 2013-10-07 | 公開日 | 2013-12-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors. ACS Med Chem Lett, 4, 2013
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6RSS
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![BU of 6rss by Molmil](/molmil-images/mine/6rss) | Solution structure of the fourth WW domain of WWP2 with GB1-tag | 分子名称: | NEDD4-like E3 ubiquitin-protein ligase WWP2 | 著者 | Wahl, L.C, Watt, J.E, Tolchard, J, Blumenschein, T.M.A, Chantry, A. | 登録日 | 2019-05-22 | 公開日 | 2019-10-09 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Smad7 Binds Differently to Individual and Tandem WW3 and WW4 Domains of WWP2 Ubiquitin Ligase Isoforms. Int J Mol Sci, 20, 2019
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5N66
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![BU of 5n66 by Molmil](/molmil-images/mine/5n66) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j | 分子名称: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine | 著者 | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | 登録日 | 2017-02-14 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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6RFM
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6SCP
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3UH2
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![BU of 3uh2 by Molmil](/molmil-images/mine/3uh2) | Tankyrase-1 in complexed with PJ34 | 分子名称: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, SULFATE ION, Tankyrase-1, ... | 著者 | Kirby, C.A, Stams, T. | 登録日 | 2011-11-03 | 公開日 | 2012-02-15 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939. Acta Crystallogr.,Sect.F, 68, 2012
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4YNM
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![BU of 4ynm by Molmil](/molmil-images/mine/4ynm) | ASH1L wild-type SET domain in complex with S-adenosyl methionine (SAM) | 分子名称: | Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION | 著者 | Rogawski, D.S, Ndoj, J, Cho, H.-J, Maillard, I, Grembecka, J, Cierpicki, T. | 登録日 | 2015-03-10 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase. Biochemistry, 54, 2015
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5N13
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![BU of 5n13 by Molmil](/molmil-images/mine/5n13) | Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form | 分子名称: | Bromodomain-containing factor 1, GLYCEROL | 著者 | Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | 登録日 | 2017-02-04 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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5N17
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![BU of 5n17 by Molmil](/molmil-images/mine/5n17) | First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3) | 分子名称: | (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION | 著者 | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | 登録日 | 2017-02-05 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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4YPE
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![BU of 4ype by Molmil](/molmil-images/mine/4ype) | ASH1L SET domain H2193F mutant in complex with S-adenosyl methionine (SAM) | 分子名称: | Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION | 著者 | Rogawski, D.S, Ndoj, J, Cho, H.J, Maillard, I, Grembecka, J, Cierpicki, T. | 登録日 | 2015-03-12 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase. Biochemistry, 54, 2015
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3UL9
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![BU of 3ul9 by Molmil](/molmil-images/mine/3ul9) | structure of the TV3 mutant M41E | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Toll-like receptor 4, ... | 著者 | Kim, H.J, Cheong, H.K, Jeon, Y.H. | 登録日 | 2011-11-10 | 公開日 | 2012-05-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein. Plos One, 7, 2012
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4JJQ
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![BU of 4jjq by Molmil](/molmil-images/mine/4jjq) | Crystal structure of usp7-ntd with an e2 enzyme | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, Ubiquitin-conjugating enzyme E2 E1 | 著者 | Saridakis, V. | 登録日 | 2013-03-08 | 公開日 | 2013-05-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Ubiquitin-specific protease 7 is a regulator of ubiquitin-conjugating enzyme UbE2E1. J. Biol. Chem., 288, 2013
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6SFI
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![BU of 6sfi by Molmil](/molmil-images/mine/6sfi) | Crystal structure of p38 alpha in complex with compound 75 (MCP33) | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-08-01 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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4MSG
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![BU of 4msg by Molmil](/molmil-images/mine/4msg) | Crystal structure of tankyrase 1 with compound 22 | 分子名称: | 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide, Tankyrase-1, ZINC ION | 著者 | Huang, X. | 登録日 | 2013-09-18 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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2QY7
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![BU of 2qy7 by Molmil](/molmil-images/mine/2qy7) | Crystal structure of human epsinR ENTH domain | 分子名称: | Clathrin interactor 1 | 著者 | Miller, S.E, Collins, B.M, McCoy, A.J, Robinson, M.S, Owen, D.J. | 登録日 | 2007-08-13 | 公開日 | 2007-11-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A SNARE-adaptor interaction is a new mode of cargo recognition in clathrin-coated vesicles. Nature, 450, 2007
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6SC9
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![BU of 6sc9 by Molmil](/molmil-images/mine/6sc9) | dAb3/HOIP-RBR-HOIPIN-8 | 分子名称: | 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ... | 著者 | Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K. | 登録日 | 2019-07-23 | 公開日 | 2019-11-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases. Cell Chem Biol, 27, 2020
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6S8R
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