1JKW
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6ENY
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![BU of 6eny by Molmil](/molmil-images/mine/6eny) | Structure of the human PLC editing module | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Calreticulin, ... | Authors: | Trowitzsch, S, Januliene, D, Blees, A, Moeller, A, Tampe, R. | Deposit date: | 2017-10-07 | Release date: | 2017-11-29 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Structure of the human MHC-I peptide-loading complex. Nature, 551, 2017
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3KTU
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3O8P
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![BU of 3o8p by Molmil](/molmil-images/mine/3o8p) | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | Descriptor: | 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, ... | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | Deposit date: | 2010-08-03 | Release date: | 2010-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
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3OC1
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![BU of 3oc1 by Molmil](/molmil-images/mine/3oc1) | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | Descriptor: | 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14 | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | Deposit date: | 2010-08-09 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
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8ILR
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![BU of 8ilr by Molmil](/molmil-images/mine/8ilr) | Cryo-EM structure of PI3Kalpha in complex with compound 16 | Descriptor: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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2R1U
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3OBJ
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5F6D
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![BU of 5f6d by Molmil](/molmil-images/mine/5f6d) | Crystal structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 6 | Descriptor: | 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-05 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6W
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![BU of 5f6w by Molmil](/molmil-images/mine/5f6w) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol) | Descriptor: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6V
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![BU of 5f6v by Molmil](/molmil-images/mine/5f6v) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen) | Descriptor: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.492 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6X
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![BU of 5f6x by Molmil](/molmil-images/mine/5f6x) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen) | Descriptor: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6E
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![BU of 5f6e by Molmil](/molmil-images/mine/5f6e) | Crystal Structure of human Ubc9 (K48A/K49A/E54A) | Descriptor: | 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-05 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6U
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![BU of 5f6u by Molmil](/molmil-images/mine/5f6u) | Crystal Structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 8 (JSS190B146) | Descriptor: | SUMO-conjugating enzyme UBC9, ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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3QUD
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![BU of 3qud by Molmil](/molmil-images/mine/3qud) | Human p38 MAP Kinase in Complex with 2-amino-phenylamino-benzophenone | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone | Authors: | Gruetter, C, Rauh, D. | Deposit date: | 2011-02-23 | Release date: | 2012-04-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Resolving the selectivity problem for p38 mitogen activated protein (MAP) Kinase-inhibitors: Development of new highly potent inhibitors of p38 MAP kinase with an outstanding selectivity profile To be Published
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5F6Y
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![BU of 5f6y by Molmil](/molmil-images/mine/5f6y) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole) | Descriptor: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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4MTC
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![BU of 4mtc by Molmil](/molmil-images/mine/4mtc) | Crystal structure of human C53A DJ-1 | Descriptor: | 1,2-ETHANEDIOL, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-09-19 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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3NC1
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![BU of 3nc1 by Molmil](/molmil-images/mine/3nc1) | Crystal structure of the CRM1-RanGTP complex | Descriptor: | Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D. | Deposit date: | 2010-06-04 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1. Nat.Struct.Mol.Biol., 17, 2010
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3PG3
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![BU of 3pg3 by Molmil](/molmil-images/mine/3pg3) | Human p38 MAP Kinase in Complex with RL182 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-10-29 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha To be Published
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1LEW
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![BU of 1lew by Molmil](/molmil-images/mine/1lew) | CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS NUCLEAR SUBSTRATE MEF2A | Descriptor: | Mitogen-activated protein kinase 14, Myocyte-specific enhancer factor 2A | Authors: | Chang, C.-I, Xu, B.-E, Akella, R, Cobb, M.H, Goldsmith, E.J. | Deposit date: | 2002-04-10 | Release date: | 2002-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of MAP kinase p38 complexed to the docking sites on its nuclear substrate MEF2A and activator MKK3b. Mol.Cell, 9, 2002
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3ROC
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![BU of 3roc by Molmil](/molmil-images/mine/3roc) | Crystal structure of human p38 alpha complexed with a pyrimidinone compound | Descriptor: | 3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl}-N-(2-hydroxyethyl)-4-methylbenzamide, 4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Shieh, H.-S, Xing, L. | Deposit date: | 2011-04-25 | Release date: | 2011-06-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substituted N-aryl-6-pyrimidinones: A new class of potent, selective, and orally active p38 MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3W55
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![BU of 3w55 by Molmil](/molmil-images/mine/3w55) | The structure of ERK2 in complex with FR148083 | Descriptor: | (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Mitogen-activated protein kinase 1 | Authors: | Ohori, M, Kinoshita, T. | Deposit date: | 2013-01-21 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Role of a cysteine residue in the active site of ERK and the MAPKK family Biochem.Biophys.Res.Commun., 353, 2007
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3NWW
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![BU of 3nww by Molmil](/molmil-images/mine/3nww) | P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor | Descriptor: | 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2010-07-12 | Release date: | 2010-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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2MA9
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![BU of 2ma9 by Molmil](/molmil-images/mine/2ma9) | HIV-1 Vif SOCS-box and Elongin BC solution structure | Descriptor: | Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, Virion infectivity factor | Authors: | Lu, Z, Bergeron, J.R, Atkinson, R.A, Schaller, T, Veselkov, D.A, Oregioni, A, Yang, Y, Matthews, S.J, Malim, M.H, Sanderson, M.R. | Deposit date: | 2013-07-01 | Release date: | 2013-12-11 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Insight into the HIV-1 Vif SOCS-box-ElonginBC interaction. OPEN BIOLOGY, 3, 2013
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3S4Q
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![BU of 3s4q by Molmil](/molmil-images/mine/3s4q) | P38 alpha kinase complexed with a pyrazolo-triazine based inhibitor | Descriptor: | 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2011-05-20 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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