2KFY
 
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6GS6
 | | Cyclophilin A single mutant D66A in complex with an inhibitor. | | Descriptor: | DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase A, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | | Authors: | Georgiou, C, De Simone, A, Juarez-Jimenez, J, Walkinshaw, M.D, Michel, J. | | Deposit date: | 2018-06-13 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A
Chem Sci, 2020
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8AJM
 | | Structure of human DDB1-DCAF12 in complex with the C-terminus of CCT5 | | Descriptor: | DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, T-complex protein 1 subunit epsilon | | Authors: | Pla-Prats, C, Cavadini, S, Kempf, G, Thoma, N.H. | | Deposit date: | 2022-07-28 | | Release date: | 2022-11-09 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Recognition of the CCT5 di-Glu degron by CRL4 DCAF12 is dependent on TRiC assembly.
Embo J., 42, 2023
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8AJN
 | | Structure of the human DDB1-DCAF12 complex | | Descriptor: | DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1 | | Authors: | Pla-Prats, C, Cavadini, S, Kempf, G, Thoma, N.H. | | Deposit date: | 2022-07-28 | | Release date: | 2022-11-09 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Recognition of the CCT5 di-Glu degron by CRL4 DCAF12 is dependent on TRiC assembly.
Embo J., 42, 2023
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8AJO
 | | Negative-stain electron microscopy structure of DDB1-DCAF12-CCT5 | | Descriptor: | DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, T-complex protein 1 subunit epsilon | | Authors: | Pla-Prats, C, Cavadini, S, Kempf, G, Thoma, N.H. | | Deposit date: | 2022-07-28 | | Release date: | 2022-11-09 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (30.6 Å) | | Cite: | Recognition of the CCT5 di-Glu degron by CRL4 DCAF12 is dependent on TRiC assembly.
Embo J., 42, 2023
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6FO5
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide | | Authors: | Raux, B, Betzi, S. | | Deposit date: | 2018-02-06 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018
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6FWB
 | | Crystal structure of Mat2A at 1.79 Angstron resolution | | Descriptor: | GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ... | | Authors: | Zhou, A, Wei, Z, Bai, J, Wang, H. | | Deposit date: | 2018-03-06 | | Release date: | 2019-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
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8SOJ
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5ZAN
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5YYA
 | | Crystal structure of Tandem Tudor Domain of human UHRF1 | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1, SULFATE ION | | Authors: | Kori, S, Defossez, P.A, Arita, K. | | Deposit date: | 2017-12-08 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the UHRF1 Tandem Tudor Domain Bound to a Methylated Non-histone Protein, LIG1, Reveals Rules for Binding and Regulation.
Structure, 27, 2019
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6FSY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Conway, S.J, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-20 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
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6FT4
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | Deposit date: | 2018-02-20 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
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8SB6
 | | Structure of human BRD2-BD1 bound to a histone H4 acetyl-methyllysine peptide | | Descriptor: | Bromodomain containing 2, Histone H4 | | Authors: | Connor, L.J, Ekundayo, B.E, Lu-Culligan, W.J, Simon, M.D, Bleichert, F. | | Deposit date: | 2023-04-02 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Acetyl-methyllysine marks chromatin at active transcription start sites.
Nature, 622, 2023
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7X9D
 | | DNMT3B in complex with harmine | | Descriptor: | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE, DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B | | Authors: | Cho, C.-C, Yuan, H.S. | | Deposit date: | 2022-03-15 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Mechanistic Insights into Harmine-Mediated Inhibition of Human DNA Methyltransferases and Prostate Cancer Cell Growth.
Acs Chem.Biol., 18, 2023
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2GNQ
 | | Structure of wdr5 | | Descriptor: | CHLORIDE ION, WD-repeat protein 5 | | Authors: | Min, J, Schuetz, A, Allali-Hassani, A, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-04-10 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
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7X6T
 | | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold | | Descriptor: | (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide, Isoform C of Bromodomain-containing protein 4 | | Authors: | Cao, D, Xiong, B. | | Deposit date: | 2022-03-08 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
To Be Published
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8B6L
 | | Subtomogram average of the human Sec61-TRAP-OSTA-translocon | | Descriptor: | Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDa subunit, Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1, Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 2, ... | | Authors: | Gemmer, M, Fedry, J.M.M, Forster, F.G. | | Deposit date: | 2022-09-27 | | Release date: | 2022-12-07 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Visualization of translation and protein biogenesis at the ER membrane.
Nature, 614, 2023
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8SWJ
 | | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 | | Descriptor: | (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION | | Authors: | Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-18 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
To be published
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8SZP
 | | Human DHX9 bound to ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, ... | | Authors: | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | | Deposit date: | 2023-05-30 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
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2H0K
 | | Crystal Structure of a Mutant of Rat Annexin A5 | | Descriptor: | Annexin A5, CALCIUM ION | | Authors: | Granier, T, Langlois D'Estaintot, B, Gallois, B, Tessier, B, Brisson, A. | | Deposit date: | 2006-05-15 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Annexin-A5 assembled into two-dimensional arrays promotes cell membrane repair.
Nat Commun, 2, 2011
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8B5B
 | | Human BRD4 bromdomain 1 in complex with a H4 peptide containing acetyl lysine and ApmTri (H4K5acK8ApmTri) | | Descriptor: | Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, H4K5acK8ApmTri | | Authors: | Braun, M.B, Bartlick, N, Stehle, T. | | Deposit date: | 2022-09-22 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7LTG
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH APICIDIN | | Descriptor: | (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Beshore, D.C. | | Deposit date: | 2021-02-19 | | Release date: | 2021-05-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction.
Acs Med.Chem.Lett., 12, 2021
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2H94
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7LTK
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7LTL
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