4AAC
 
 | | P38ALPHA MAP KINASE BOUND TO CMPD 29 | | Descriptor: | CHLORIDE ION, MITOGEN-ACTIVATED PROTEIN KINASE 14, N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide | | Authors: | Gerhardt, S, Hargreaves, D. | | Deposit date: | 2011-12-01 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
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4P5O
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8B3I
 | | CRL4CSA-E2-Ub (state 2) | | Descriptor: | Cullin-4A, DNA damage-binding protein 1, DNA excision repair protein ERCC-8, ... | | Authors: | Kokic, G, Cramer, P. | | Deposit date: | 2022-09-16 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | C(N)RL4CSA-E2-Ub (state 2)
To Be Published
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3P5K
 | | P38 inhibitor-bound | | Descriptor: | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Namboodiri, H. | | Deposit date: | 2010-10-08 | | Release date: | 2011-11-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
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5VHS
 | | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | | Authors: | Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | | Deposit date: | 2017-04-13 | | Release date: | 2017-08-23 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (8.8 Å) | | Cite: | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
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7JJG
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5E8I
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2FYS
 | | Crystal structure of Erk2 complex with KIM peptide derived from MKP3 | | Descriptor: | Dual specificity protein phosphatase 6, Mitogen-activated protein kinase 1 | | Authors: | Liu, S, Sun, J.P, Zhou, B, Zhang, Z.Y. | | Deposit date: | 2006-02-08 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3GFC
 | | Crystal Structure of Histone-binding protein RBBP4 | | Descriptor: | Histone-binding protein RBBP4 | | Authors: | Amaya, M.F, Dong, A, Li, Z, He, H, Ni, S, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-02-26 | | Release date: | 2009-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
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4AA5
 | | P38ALPHA MAP KINASE BOUND TO CMPD 33 | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE | | Authors: | Gerhardt, S, Hargreaves, D. | | Deposit date: | 2011-11-30 | | Release date: | 2012-05-16 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
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8E4H
 | | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG) | | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1 | | Authors: | Terrell, J.R, Poon, G.M.K. | | Deposit date: | 2022-08-18 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
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8ODR
 | | Mimetic of UBC9-SUMO1 | | Descriptor: | SULFATE ION, SUMO-conjugating enzyme UBC9, Small ubiquitin-related modifier 1 | | Authors: | Coste, F, Goffinont, S, Suskiewicz, M.J. | | Deposit date: | 2023-03-09 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural insights into the regulation of the human E2∼SUMO conjugate through analysis of its stable mimetic.
J.Biol.Chem., 299, 2023
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6ASY
 | | BiP-ATP2 | | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L. | | Deposit date: | 2017-08-26 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
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4PE5
 | | Crystal Structure of GluN1a/GluN2B NMDA Receptor Ion Channel | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol, ... | | Authors: | Karakas, E, Furukawa, H. | | Deposit date: | 2014-04-22 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.96 Å) | | Cite: | Crystal structure of a heterotetrameric NMDA receptor ion channel.
Science, 344, 2014
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5A0F
 | | Crystal structure of Yersinia Afp18-modified RhoA | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Jank, T, Schimpl, M, van Aalten, D.M. | | Deposit date: | 2015-04-20 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos.
Nat Commun, 6, 2015
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7U0T
 | | Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520 | | Descriptor: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Fox III, D, Mayclin, S.J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-02-18 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.
Mbio, 13, 2022
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2ARO
 | | Crystal Structure Of The Native Histone Octamer To 2.1 Angstrom Resolution, Crystalised In The Presence Of S-Nitrosoglutathione | | Descriptor: | CHLORIDE ION, HISTONE H3, HISTONE H4-VI, ... | | Authors: | Wood, C.M, Sodngam, S, Nicholson, J.M, Lambert, S.J, Reynolds, C.D, Baldwin, J.P. | | Deposit date: | 2005-08-20 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The oxidised histone octamer does not form a H3 disulphide bond.
Biochim.Biophys.Acta, 1764, 2006
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3ZSG
 | | X-ray structure of p38alpha bound to TAK-715 | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, TAK-715, octyl beta-D-glucopyranoside | | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | | Deposit date: | 2011-06-28 | | Release date: | 2012-06-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | 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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2GPH
 | | Docking motif interactions in the MAP kinase ERK2 | | Descriptor: | Mitogen-activated protein kinase 1, Tyrosine-protein phosphatase non-receptor type 7 | | Authors: | Zhou, T, Sun, L, Humphreys, J, Goldsmith, E.J. | | Deposit date: | 2006-04-17 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Docking Interactions Induce Exposure of Activation Loop in the MAP Kinase ERK2.
Structure, 14, 2006
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3ZSH
 | | X-ray structure of p38alpha bound to SCIO-469 | | Descriptor: | 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 | | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | | Deposit date: | 2011-06-28 | | Release date: | 2012-06-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 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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2OQQ
 | | Crystal structure of HY5 leucine zipper homodimer from Arabidopsis thaliana | | Descriptor: | Transcription factor HY5 | | Authors: | Yoon, M.-K, Kim, H.M, Choi, G, Lee, J.-O, Choi, B.-S. | | Deposit date: | 2007-02-01 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the conformational integrity of the Arabidopsis thaliana HY5 leucine zipper homodimer.
J.Biol.Chem., 282, 2007
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7JTC
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7JSP
 | | Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738 | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, SULFATE ION, ... | | Authors: | Karim, M.R, Schonbrunn, E. | | Deposit date: | 2020-08-15 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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5EZ6
 | | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | | Authors: | Yan, Z, Ma, S, Zhang, Y, Ma, L, Wang, F, Li, J, Miao, L. | | Deposit date: | 2015-11-26 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA
To Be Published
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3IH7
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