8Y5B
 
 | | Crystal structure of TRIM21 PRYSPRY (D355A) in complex with (R)-hydroxyl-acepromazine. | | Descriptor: | (1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol, E3 ubiquitin-protein ligase TRIM21 | | Authors: | Lu, P, Cheng, Y, Xue, L, Ren, X, Huang, N, Han, T. | | Deposit date: | 2024-01-31 | | Release date: | 2024-10-09 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Selective degradation of multimeric proteins by TRIM21-based molecular glue and PROTAC degraders.
Cell, 187, 2024
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8CX9
 | | Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism | | Descriptor: | BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ... | | Authors: | Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S. | | Deposit date: | 2022-05-20 | | Release date: | 2023-01-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
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6J3P
 | | Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n | | Descriptor: | 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2A | | Authors: | Huang, L.Y, Li, H, Niu, L, Wu, C.Y, Yu, Y.M, Li, L.L, Yang, S.Y. | | Deposit date: | 2019-01-05 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
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6J3O
 | | Crystal structure of the human PCAF bromodomain in complex with compound 12 | | Descriptor: | 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B | | Authors: | Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y. | | Deposit date: | 2019-01-05 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
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4OA7
 | | Crystal structure of Tankyrase1 in complex with IWR1 | | Descriptor: | 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION | | Authors: | Zhang, X, He, H. | | Deposit date: | 2014-01-03 | | Release date: | 2015-01-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
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5X8I
 | | Crystal structure of human CLK1 in complex with compound 25 | | Descriptor: | 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole, Dual specificity protein kinase CLK1 | | Authors: | Sun, Q.Z, Lin, G.F, Li, L.L, Jin, X.T, Huang, L.Y, Zhang, G, Wei, Y.Q, Lu, G.W, Yang, S.Y. | | Deposit date: | 2017-03-02 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers
J. Med. Chem., 60, 2017
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2M75
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2M7H
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2M7F
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5A2T
 | | The Molecular Basis for Flexibility in the Flexible Filamentous Plant Viruses | | Descriptor: | BAMBOO MOSAIC VIRUS, COAT PROTEIN | | Authors: | DiMaio, F, Chen, C.C, Yu, X, Frenz, B, Hsu, Y.H, Lin, N.S, Egelman, E.H. | | Deposit date: | 2015-05-23 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | The Molecular Basis for Flexibility in the Flexible Filamentous Plant Viruses.
Nat.Struct.Mol.Biol., 22, 2015
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3BYQ
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4KSY
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3B77
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5ZXD
 | | Crystal structure of ATP-bound human ABCF1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family F member 1 | | Authors: | Qu, L, Jiang, Y, Liu, Z.J. | | Deposit date: | 2018-05-18 | | Release date: | 2018-07-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Crystal Structure of ATP-Bound Human ABCF1 Demonstrates a Unique Conformation of ABC Proteins
Structure, 26, 2018
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2JTC
 | | 3D structure and backbone dynamics of SPE B | | Descriptor: | Streptopain | | Authors: | Chuang, W, Wang, C, Houng, H, Chen, C, Wang, P. | | Deposit date: | 2007-07-26 | | Release date: | 2008-08-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of streptopain: insight into diverse substrate specificity.
J.Biol.Chem., 284, 2009
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3D00
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3CGH
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9IW1
 | | wild type NMN/NaMN adenylyltransferase from Chaetomium thermophilum | | Descriptor: | 1,2-ETHANEDIOL, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Qian, X.-L, Zheng, Y.-C, Chen, C, Xu, J.-H. | | Deposit date: | 2024-07-24 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Biochemical and structural characterization of a novel nicotinamide mononucleotide adenylyltransferase from thermophilic fungi Chaetomium thermophilum.
Biochem.Biophys.Res.Commun., 776, 2025
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5JP9
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3C7L
 | | Molecular architecture of Galphao and the structural basis for RGS16-mediated deactivation | | Descriptor: | Regulator of G-protein signaling 16 | | Authors: | Slep, K.C, Kercher, M.A, Wieland, T, Chen, C, Simon, M.I, Sigler, P.B. | | Deposit date: | 2008-02-07 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Molecular architecture of G{alpha}o and the structural basis for RGS16-mediated deactivation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C7K
 | | Molecular architecture of Galphao and the structural basis for RGS16-mediated deactivation | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(o) subunit alpha, MAGNESIUM ION, ... | | Authors: | Slep, K.C, Kercher, M.A, Wieland, T, Chen, C, Simon, M.I, Sigler, P.B. | | Deposit date: | 2008-02-07 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular architecture of G{alpha}o and the structural basis for RGS16-mediated deactivation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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8CQI
 | | Human heparanase in complex with inhibitor R3794 | | Descriptor: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 1,5-anhydro-D-arabinitol, ... | | Authors: | Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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1HEV
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1H65
 | | Crystal structure of pea Toc34 - a novel GTPase of the chloroplast protein translocon | | Descriptor: | CHLOROPLAST OUTER ENVELOPE PROTEIN OEP34, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Sun, Y.J, Forouhar, F, Li, H.M, Tu, S.L, Kao, S, Shr, H.L, Chou, C.C, Hsiao, C.D. | | Deposit date: | 2001-06-06 | | Release date: | 2002-01-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Pea Toc34 - a Novel Gtpase of the Chloroplast Protein Translocon
Nat.Struct.Biol., 9, 2002
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6XAE
 | | SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS | | Descriptor: | Nuclear receptor ROR-gamma, trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid | | Authors: | Sack, J.S. | | Deposit date: | 2020-06-04 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.257 Å) | | Cite: | Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
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