7OC9
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3TTI
| Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
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3TTJ
| Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury | Descriptor: | 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10 | Authors: | Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury. Bioorg.Med.Chem.Lett., 22, 2012
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7O21
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4WNM
| SYK catalytic domain in complex with a potent triazolopyridine inhibitor | Descriptor: | N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine, SULFATE ION, Tyrosine-protein kinase SYK | Authors: | Jackson, P.J. | Deposit date: | 2014-10-13 | Release date: | 2016-01-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Novel Triazolopyridine-Based Spleen Tyrosine Kinase Inhibitor That Arrests Joint Inflammation. Plos One, 11, 2016
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7M6B
| The Crystal Structure of Mcbe1 | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ... | Authors: | Alahuhta, P.M, Lunin, V.V. | Deposit date: | 2021-03-25 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Target highlights in CASP14: Analysis of models by structure providers. Proteins, 89, 2021
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8TLY
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8TUK
| Alvinella ASCC1 KH and Phosphodiesterase/Ligase Domain | Descriptor: | 1,2-ETHANEDIOL, Activating signal cointegrator 1 complex subunit 1, IMIDAZOLE | Authors: | Tsutakawa, S.E, Tainer, J.A, Arvai, A.S, Chinnam, N.B. | Deposit date: | 2023-08-16 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | ASCC1 structures and bioinformatics reveal a novel helix-clasp-helix RNA-binding motif linked to a two-histidine phosphodiesterase. J.Biol.Chem., 300, 2024
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6Y1Q
| Cortistatin analog with improved immunoregulatory activity | Descriptor: | Analog 5, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Rol, A. | Deposit date: | 2020-02-13 | Release date: | 2021-01-27 | Last modified: | 2024-07-10 | Method: | SOLUTION NMR | Cite: | Structure-based design of a Cortistatin analogue with immunomodulatory activity in models of inflammatory bowel disease. Nat Commun, 12, 2021
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