1R39
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![BU of 1r39 by Molmil](/molmil-images/mine/1r39) | THE STRUCTURE OF P38ALPHA | Descriptor: | Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G. | Deposit date: | 2003-10-01 | Release date: | 2004-01-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering. Biochim.Biophys.Acta, 1696, 2004
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3UP0
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![BU of 3up0 by Molmil](/molmil-images/mine/3up0) | Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid | Descriptor: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid, Nuclear receptor coactivator 2, aceDAF-12 | Authors: | Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E. | Deposit date: | 2011-11-17 | Release date: | 2011-12-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes. J.Biol.Chem., 287, 2012
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5TFO
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![BU of 5tfo by Molmil](/molmil-images/mine/5tfo) | |
8K8T
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![BU of 8k8t by Molmil](/molmil-images/mine/8k8t) | Structure of CUL3-RBX1-KLHL22 complex | Descriptor: | Cullin-3, Kelch-like protein 22 | Authors: | Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y. | Deposit date: | 2023-07-31 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22. Nat Commun, 15, 2024
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6K1K
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![BU of 6k1k by Molmil](/molmil-images/mine/6k1k) | Human nucleosome core particle with H2A.X S139E variant | Descriptor: | CHLORIDE ION, DNA (145-MER), Histone H2AX, ... | Authors: | Sharma, D, De Falco, L, Davey, C.A. | Deposit date: | 2019-05-10 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome. Nat Commun, 10, 2019
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4EH3
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![BU of 4eh3 by Molmil](/molmil-images/mine/4eh3) | Human p38 MAP kinase in complex with NP-F2 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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1CWX
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![BU of 1cwx by Molmil](/molmil-images/mine/1cwx) | SOLUTION STRUCTURE OF THE HEPATITIS C VIRUS N-TERMINAL CAPSID PROTEIN 2-45 [C-HCV(2-45)] | Descriptor: | HEPATITIS C VIRUS CAPSID PROTEIN | Authors: | Ladaviere, L, Deleage, G, Montserret, R, Dalbon, P, Jolivet, M, Penin, F. | Deposit date: | 1999-08-27 | Release date: | 1999-08-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Analysis of the Immunodominant Antigenic Region of the Hepatitis C Virus Capsid Protein by NMR To be Published
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4EH6
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![BU of 4eh6 by Molmil](/molmil-images/mine/4eh6) | Human p38 MAP kinase in complex with NP-F5 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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6K1J
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![BU of 6k1j by Molmil](/molmil-images/mine/6k1j) | Human nucleosome core particle with H2A.X variant | Descriptor: | CHLORIDE ION, DNA (145-MER), Histone H2AX, ... | Authors: | Sharma, D, De Falco, L, Davey, C.A. | Deposit date: | 2019-05-10 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome. Nat Commun, 10, 2019
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3UP3
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![BU of 3up3 by Molmil](/molmil-images/mine/3up3) | Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-cholestenoic acid | Descriptor: | (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid, 1,2-ETHANEDIOL, Nuclear receptor coactivator 2, ... | Authors: | Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E. | Deposit date: | 2011-11-17 | Release date: | 2011-12-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes. J.Biol.Chem., 287, 2012
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2GTM
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![BU of 2gtm by Molmil](/molmil-images/mine/2gtm) | Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579 | Descriptor: | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | Deposit date: | 2006-04-28 | Release date: | 2006-05-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16, 2006
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4AQF
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![BU of 4aqf by Molmil](/molmil-images/mine/4aqf) | X-ray crystallographic structure of Crimean-congo haemorrhagic fever virus nucleoprotein | Descriptor: | NUCLEOPROTEIN, SULFATE ION | Authors: | Wang, Y, Dutta, S, Karlberg, H, Devignot, S, Weber, F, Hao, Q, Tan, Y.J, Mirazimi, A, Kotaka, M. | Deposit date: | 2012-04-17 | Release date: | 2012-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of Crimean-Congo Haemorraghic Fever Virus Nucleoprotein: Superhelical Homo-Oligomers and the Role of Caspase-3 Cleavage. J.Virol., 86, 2012
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4EH7
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![BU of 4eh7 by Molmil](/molmil-images/mine/4eh7) | Human p38 MAP kinase in complex with NP-F6 and RL87 | Descriptor: | (3-phenoxyphenyl)methanol, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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2GTN
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![BU of 2gtn by Molmil](/molmil-images/mine/2gtn) | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 | Descriptor: | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | Deposit date: | 2006-04-28 | Release date: | 2006-07-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16, 2006
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6KO6
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![BU of 6ko6 by Molmil](/molmil-images/mine/6ko6) | Crystal structure of AMPPNP bound Cka1 from C. neoformans | Descriptor: | CMGC/CK2 protein kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Cho, H.S, Yoo, Y. | Deposit date: | 2019-08-08 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural analysis of fungal pathogenicity-related casein kinase alpha subunit, Cka1, in the human fungal pathogen Cryptococcus neoformans. Sci Rep, 9, 2019
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4EH5
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![BU of 4eh5 by Molmil](/molmil-images/mine/4eh5) | Human p38 MAP kinase in complex with NP-F4 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, benzyl pyridine-3-carboxylate | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EH2
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![BU of 4eh2 by Molmil](/molmil-images/mine/4eh2) | Human p38 MAP kinase in complex with NP-F1 and RL87 | Descriptor: | 3-phenylquinazolin-4(3H)-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EWQ
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![BU of 4ewq by Molmil](/molmil-images/mine/4ewq) | Human p38 alpha MAPK in complex with a pyridazine based inhibitor | Descriptor: | 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ... | Authors: | Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-04-27 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62, 2019
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4EH9
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![BU of 4eh9 by Molmil](/molmil-images/mine/4eh9) | Human p38 MAP kinase in complex with NP-F11 and RL87 | Descriptor: | (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EHV
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![BU of 4ehv by Molmil](/molmil-images/mine/4ehv) | Human p38 MAP kinase in complex with NP-F10 and RL87 | Descriptor: | (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-04 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EH4
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![BU of 4eh4 by Molmil](/molmil-images/mine/4eh4) | Human p38 MAP kinase in complex with NP-F3 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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2QD9
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![BU of 2qd9 by Molmil](/molmil-images/mine/2qd9) | P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds | Descriptor: | 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2007-06-20 | Release date: | 2007-08-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds. Bioorg.Med.Chem.Lett., 17, 2007
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4EH8
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![BU of 4eh8 by Molmil](/molmil-images/mine/4eh8) | Human p38 MAP kinase in complex with NP-F7 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, [3-(benzyloxy)phenyl]methanol | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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1TTU
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![BU of 1ttu by Molmil](/molmil-images/mine/1ttu) | Crystal Structure of CSL bound to DNA | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3', 5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3', ... | Authors: | Kovall, R.A, Hendrickson, W.A. | Deposit date: | 2004-06-23 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of the nuclear effector of Notch signaling, CSL, bound to DNA Embo J., 23, 2004
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1W82
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![BU of 1w82 by Molmil](/molmil-images/mine/1w82) | p38 Kinase crystal structure in complex with small molecule inhibitor | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA | Authors: | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | Deposit date: | 2004-09-16 | Release date: | 2005-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation J.Med.Chem., 48, 2005
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