3ITZ
 
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3IW8
 | | Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | | Descriptor: | 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | | Deposit date: | 2009-09-02 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
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5MPA
 | | 26S proteasome in presence of ATP (s2) | | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | | Deposit date: | 2016-12-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5MP9
 | | 26S proteasome in presence of ATP (s1) | | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | | Deposit date: | 2016-12-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6V9H
 | | Ankyrin repeat and SOCS-box protein 9 (ASB9), ElonginB (ELOB), and ElonginC (ELOC) bound to its substrate Brain-type Creatine Kinase (CKB) | | Descriptor: | Ankyrin repeat and SOCS box protein 9, Creatine kinase B-type, Elongin-B, ... | | Authors: | Komives, E.A, Lumpkin, R.J, Baker, R.W, Leschziner, A.E. | | Deposit date: | 2019-12-13 | | Release date: | 2020-04-29 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure and dynamics of the ASB9 CUL-RING E3 Ligase.
Nat Commun, 11, 2020
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7N5C
 | | 6218 TCR in complex with H2Db PA with an engineered TCR-pMHC disulfide bond | | Descriptor: | Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 with T-cell receptor, sp3.4 alpha chain, ... | | Authors: | Szeto, C, Gras, S. | | Deposit date: | 2021-06-05 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
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5CEI
 | | Crystal structure of CDK8:Cyclin C complex with compound 22 | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ... | | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T. | | Deposit date: | 2015-07-06 | | Release date: | 2016-02-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells.
Acs Med.Chem.Lett., 7, 2016
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3K3I
 | | p38alpha bound to novel DGF-out compound PF-00215955 | | Descriptor: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | Authors: | Kazmirski, S.L, DiNitto, J.P. | | Deposit date: | 2009-10-02 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
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1FIK
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5HQ8
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1FIL
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5HI7
 | | Co-crystal structure of human SMYD3 with an aza-SAH compound | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SMYD3, ... | | Authors: | Elkins, P.A, Bonnette, W.G. | | Deposit date: | 2016-01-11 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure, 24, 2016
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8IQG
 | | Cryo-EM structure of the monomeric human CAF1-H3-H4 complex | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | | Authors: | Liu, C.P, Yu, Z.Y, Xu, R.M. | | Deposit date: | 2023-03-16 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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6NQ3
 | | Crystal Structure of a SUZ12-RBBP4-PHF19-JARID2 Heterotetrameric Complex | | Descriptor: | Histone-binding protein RBBP4, PHD finger protein 19, Polycomb protein SUZ12, ... | | Authors: | Chen, S, Jiao, L, Liu, X. | | Deposit date: | 2019-01-19 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | A Dimeric Structural Scaffold for PRC2-PCL Targeting to CpG Island Chromatin.
Mol.Cell, 77, 2020
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5L4G
 | | The human 26S proteasome at 3.9 A | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Schweitzer, A, Aufderheide, A, Rudack, T, Beck, F. | | Deposit date: | 2016-05-25 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the human 26S proteasome at a resolution of 3.9 angstrom.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6YUH
 | | Crystal structure of SMYD3 with diperodon R enantiomer bound to allosteric site | | Descriptor: | Diperodon, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | Authors: | Cederfelt, D, Talibov, V.O, Dobritzsch, D, Danielson, U.H. | | Deposit date: | 2020-04-27 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
Chembiochem, 22, 2021
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7LYB
 | | Cryo-EM structure of the human nucleosome core particle in complex with BRCA1-BARD1-UbcH5c | | Descriptor: | BRCA1-associated RING domain protein 1, DNA (146-MER), DNA (147-MER), ... | | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, D, Mer, E, Mer, G. | | Deposit date: | 2021-03-06 | | Release date: | 2021-07-28 | | Last modified: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Mechanisms of BRCA1-BARD1 nucleosome recognition and ubiquitylation.
Nature, 596, 2021
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3KQ7
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3IW7
 | | Human p38 MAP Kinase in Complex with an Imidazo-pyridine | | Descriptor: | 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | | Deposit date: | 2009-09-02 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
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7EGM
 | | The SRM module of SWI/SNF-nucleosome complex | | Descriptor: | SWI/SNF chromatin-remodeling complex subunit SNF5, SWI/SNF chromatin-remodeling complex subunit SWI1, SWI/SNF complex subunit SWI3, ... | | Authors: | Chen, Z.C, Chen, K.J, He, Z.Y, Ye, Y.P. | | Deposit date: | 2021-03-24 | | Release date: | 2022-01-12 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of the SWI/SNF complex bound to the nucleosome and insights into the functional modularity.
Cell Discov, 7, 2021
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1YQJ
 | | Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor | | Descriptor: | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION | | Authors: | Tamayo, N, Liao, H, Goldberg, M, Syed, R, Li, V, Powers, D, Tudor, Y, Yu, V, Wong, M.L, Henkle, B, Middelton, S, Harvey, T, Jang, G, Hungate, R, Dominguez, C. | | Deposit date: | 2005-02-01 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 15, 2005
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4W5V
 | | Crystal structure of Human SUMO E2-conjugating enzyme (Ubc9) in complex with E1-activating enzyme (Uba2) ubiquitin fold domain (Ufd) | | Descriptor: | FORMIC ACID, GLYCEROL, POTASSIUM ION, ... | | Authors: | Boucher, L.E, Reiter, K.H, Matunis, M.J, Bosch, J. | | Deposit date: | 2014-08-19 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human SUMO complex
To Be Published
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8CDK
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8CDJ
 | | CAND1 b-hairpin++-SCF-SKP2 CAND1 rolling SCF engaged | | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ... | | Authors: | Baek, K, Schulman, B.A. | | Deposit date: | 2023-01-31 | | Release date: | 2023-04-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023
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7B5L
 | | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27-UBE2L3~Ub~ARIH1. Transition State 1 | | Descriptor: | 5-azanylpentan-2-one, Cullin-1, Cyclin-A2, ... | | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2020-12-04 | | Release date: | 2021-02-10 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
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