6IAM
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3HLL
| Crystal Structure of Human p38alpha complexed with PH-797804 | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide, HYPOPHOSPHITE, ... | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | Deposit date: | 2009-05-27 | Release date: | 2009-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry, 48, 2009
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3HA8
| THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b | Descriptor: | Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide | Authors: | Zhao, B, Clark, M.A. | Deposit date: | 2009-05-01 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
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3GCU
| Human P38 MAP kinase in complex with RL48 | Descriptor: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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3GCS
| Human P38 MAP kinase in complex with Sorafenib | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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3HEG
| P38 in complex with Sorafenib | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14 | Authors: | Namboodiri, H.V, Karpusas, M. | Deposit date: | 2009-05-08 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases. Biochemistry, 49, 2010
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3HL7
| Crystal Structure of Human p38alpha complexed with SD-0006 | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol, Mitogen-activated protein kinase 14 | Authors: | Shieh, H.-S, Kurumbail, R.G, Stegeman, R.A, Williams, J.M. | Deposit date: | 2009-05-26 | Release date: | 2009-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry, 48, 2009
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1AWC
| MOUSE GABP ALPHA/BETA DOMAIN BOUND TO DNA | Descriptor: | DNA (5'-D(*AP*AP*(BRU)P*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*AP*(CBR)P*AP*CP*(CBR)P*GP*GP*A)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*GP*(BRU)P*GP*(BRU)P*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP*AP*T)-3'), PROTEIN (GA BINDING PROTEIN ALPHA), ... | Authors: | Batchelor, A.H, Wolberger, C. | Deposit date: | 1997-10-01 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The structure of GABPalpha/beta: an ETS domain- ankyrin repeat heterodimer bound to DNA. Science, 279, 1998
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3MVM
| P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V | Descriptor: | 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2010-05-04 | Release date: | 2010-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases J.Med.Chem., 53, 2010
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3MVL
| P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K | Descriptor: | 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2010-05-04 | Release date: | 2010-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases J.Med.Chem., 53, 2010
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6WK1
| SETD3 in Complex with an Actin Peptide with His73 Replaced with Methionine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin, ... | Authors: | Dai, S, Horton, J.R, Cheng, X. | Deposit date: | 2020-04-15 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Characterization of SETD3 methyltransferase-mediated protein methionine methylation. J.Biol.Chem., 295, 2020
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2ERJ
| Crystal structure of the heterotrimeric interleukin-2 receptor in complex with interleukin-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Debler, E.W, Stauber, D.J, Wilson, I.A. | Deposit date: | 2005-10-25 | Release date: | 2006-02-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the IL-2 signaling complex: Paradigm for a heterotrimeric cytokine receptor. Proc.Natl.Acad.Sci.Usa, 103, 2006
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3FQI
| Crystal Structure of the Mouse Dom3Z | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Protein Dom3Z | Authors: | Xiang, S, Tong, L. | Deposit date: | 2009-01-07 | Release date: | 2009-02-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.013 Å) | Cite: | Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1. Nature, 458, 2009
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3FQJ
| Crystal Structure of the Mouse Dom3Z in Complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein Dom3Z | Authors: | Xiang, S, Tong, L. | Deposit date: | 2009-01-07 | Release date: | 2009-02-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.623 Å) | Cite: | Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1. Nature, 458, 2009
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6WK2
| SETD3 mutant (N255V) in Complex with an Actin Peptide with His73 Replaced with Methionine | Descriptor: | 1,2-ETHANEDIOL, Actin, cytoplasmic 2, ... | Authors: | Dai, S, Horton, J.R, Cheng, X. | Deposit date: | 2020-04-15 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Characterization of SETD3 methyltransferase-mediated protein methionine methylation. J.Biol.Chem., 295, 2020
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7KID
| PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72 | Descriptor: | (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ... | Authors: | Palte, R.L. | Deposit date: | 2020-10-23 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer. J.Med.Chem., 64, 2021
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7KIC
| PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34 | Descriptor: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ... | Authors: | Palte, R.L. | Deposit date: | 2020-10-23 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer. J.Med.Chem., 64, 2021
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7KIB
| PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4 | Descriptor: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Palte, R.L, Hayes, R.P. | Deposit date: | 2020-10-23 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer. J.Med.Chem., 64, 2021
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4WWA
| Crystal structure of binary complex Bud32-Cgi121 | Descriptor: | EKC/KEOPS complex subunit BUD32, EKC/KEOPS complex subunit CGI121, SULFATE ION | Authors: | Zhang, W, van Tilbeurgh, H. | Deposit date: | 2014-11-10 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.953 Å) | Cite: | Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex. Nucleic Acids Res., 43, 2015
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4WW7
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5LCJ
| In-Gel Activity-Based Protein Profiling of a Clickable Covalent Erk 1/2 Inhibitor | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate | Authors: | O'Reilly, M, Wright, D. | Deposit date: | 2016-06-22 | Release date: | 2016-07-20 | Last modified: | 2016-08-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor. Mol Biosyst, 12, 2016
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5LCK
| A Clickable Covalent ERK 1/2 Inhibitor | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide | Authors: | O'Reilly, M, Wright, D. | Deposit date: | 2016-06-22 | Release date: | 2016-07-20 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor. Mol Biosyst, 12, 2016
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2NPQ
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4WXA
| Crystal structure of binary complex Gon7-Pcc1 | Descriptor: | ACETATE ION, EKC/KEOPS complex subunit GON7, EKC/KEOPS complex subunit PCC1, ... | Authors: | Zhang, W, van Tilbeurgh, H. | Deposit date: | 2014-11-13 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex. Nucleic Acids Res., 43, 2015
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4XAH
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