7ZZS
| HDAC2 complexed with an inhibitory ligand | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZU
| Inhibitory Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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5LYS
| The crystal structure of 7SK 5'-hairpin - Gold derivative | Descriptor: | 7SK RNA, GOLD ION, MAGNESIUM ION, ... | Authors: | Martinez-Zapien, D, Legrand, P, McEwen, A.G, Pasquali, S, Dock-Bregeon, A.-C. | Deposit date: | 2016-09-28 | Release date: | 2017-01-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | The crystal structure of the 5 functional domain of the transcription riboregulator 7SK. Nucleic Acids Res., 45, 2017
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8SVF
| BAP1/ASXL1 bound to the H2AK119Ub Nucleosome | Descriptor: | DNA/RNA (187-MER), DNA/RNA (327-MER), Histone H2A type 1, ... | Authors: | Thomas, J.F, Valencia-Sanchez, M.I, Armache, K.-J. | Deposit date: | 2023-05-16 | Release date: | 2023-08-30 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis of histone H2A lysine 119 deubiquitination by Polycomb repressive deubiquitinase BAP1/ASXL1. Sci Adv, 9, 2023
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5LYU
| The native crystal structure of 7SK 5'-hairpin | Descriptor: | 7SK RNA, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Martinez-Zapien, D, Legrand, P, McEwen, A.C, Pasquali, S, Dock-Bregeon, A.-C. | Deposit date: | 2016-09-28 | Release date: | 2017-01-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of the 5 functional domain of the transcription riboregulator 7SK. Nucleic Acids Res., 45, 2017
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6QZA
| HLA-DR1 with GMF Influenza PB1 Peptide | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ... | Authors: | Greenshields-Watson, A, Rizkallah, P.J. | Deposit date: | 2019-03-11 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features. Cell Rep, 32, 2020
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3MWV
| Crystal structure of HCV NS5B polymerase | Descriptor: | Genome polyprotein | Authors: | Coulombe, R. | Deposit date: | 2010-05-06 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B. J.Am.Chem.Soc., 132, 2010
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4Q21
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4F9Y
| Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2012-05-21 | Release date: | 2013-06-05 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
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4F9W
| Human P38alpha MAPK in Complex with a Novel and Selective Small Molecule Inhibitor | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2012-05-21 | Release date: | 2013-06-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
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4FA2
| Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063 | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2012-05-21 | Release date: | 2013-06-05 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
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6OEL
| Engineered Fab bound to IL-4 receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, Interleukin-4 receptor subunit alpha, ... | Authors: | Jude, K.M, Moraga, I, Spangler, J.B, Garcia, K.C. | Deposit date: | 2019-03-27 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A strategy for the selection of monovalent antibodies that span protein dimer interfaces. J.Biol.Chem., 294, 2019
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4DLI
| Human p38 MAP kinase in complex with RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Gruetter, C, Getlik, M, Simard, J.R, Rauh, D. | Deposit date: | 2012-02-06 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase. Plos One, 7, 2012
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6SFI
| Crystal structure of p38 alpha in complex with compound 75 (MCP33) | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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6SFJ
| Crystal structure of p38 alpha in complex with compound 77 (MCP41) | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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2FNJ
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4DLJ
| Human p38 MAP kinase in complex with RL163 | Descriptor: | 2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | Authors: | Gruetter, C, Termathe, M. | Deposit date: | 2012-02-06 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase. Plos One, 7, 2012
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6SFK
| Crystal structure of p38 alpha in complex with compound 81 (MCP42) | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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8OR0
| CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ... | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | Deposit date: | 2023-04-12 | Release date: | 2023-06-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange. Mol.Cell, 83, 2023
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1H2U
| Structure of the human nuclear cap-binding-complex (CBC) in complex with a cap analogue m7GpppG | Descriptor: | 20 KDA NUCLEAR CAP BINDING PROTEIN, 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE, 80 KDA NUCLEAR CAP BINDING PROTEIN, ... | Authors: | Mazza, C, Segref, A, Mattaj, I.W, Cusack, S. | Deposit date: | 2002-08-16 | Release date: | 2002-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Large-Scale Induced Fit Recognition of an M(7)Gpppg CAP Analogue by the Human Nuclear CAP-Binding Complex Embo J., 21, 2002
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1H2T
| Structure of the human nuclear cap-binding-complex (CBC) in complex with a cap analogue m7GpppG | Descriptor: | 20 KDA NUCLEAR CAP BINDING PROTEIN, 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE, 80 KDA NUCLEAR CAP BINDING PROTEIN, ... | Authors: | Mazza, C, Segref, A, Mattaj, I.W, Cusack, S. | Deposit date: | 2002-08-16 | Release date: | 2002-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Large-Scale Induced Fit Recognition of an M(7)Gpppg CAP Analogue by the Human Nuclear CAP-Binding Complex Embo J., 21, 2002
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1H2V
| Structure of the human nuclear cap-binding-complex (CBC) | Descriptor: | 20 KDA NUCLEAR CAP BINDING PROTEIN, 80 KDA NUCLEAR CAP BINDING PROTEIN | Authors: | Mazza, C, Segref, A, Mattaj, I.W, Cusack, S. | Deposit date: | 2002-08-16 | Release date: | 2002-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Large-Scale Induced Fit Recognition of an M(7)Gpppg CAP Analogue by the Human Nuclear CAP-Binding Complex Embo J., 21, 2002
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7K0W
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7L9P
| Structure of human SHLD2-SHLD3-REV7-TRIP13(E253Q) complex | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pachytene checkpoint protein 2 homolog, ... | Authors: | Xie, W, Patel, D.J. | Deposit date: | 2021-01-04 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex. Proc.Natl.Acad.Sci.USA, 118, 2021
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2HHU
| C:O6-methyl-guanine in the polymerase postinsertion site (-1 basepair position) | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*CP*C)-3', 5'-D(*GP*TP*AP*CP*(6OG)P*GP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3', ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-06-28 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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