6FT3
 
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{R})-cyclopropyl(oxidanyl)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, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-20 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.28 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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6G05
 | | RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-2" AND RIP140 PEPTIDE AT 1.90A | | Descriptor: | 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-16 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
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6G0S
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SIRT7 peptide (K272ac/K275ac) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, NAD-dependent protein deacetylase sirtuin-7 | | Authors: | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | Deposit date: | 2018-03-19 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6G3O
 | | Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide | | Descriptor: | (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide, CALCIUM ION, Histone deacetylase 2, ... | | Authors: | Isabet, T, Aurelly, M, Chantalat, L, Thoreau, E. | | Deposit date: | 2018-03-26 | | Release date: | 2018-06-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma.
Bioorg. Med. Chem. Lett., 28, 2018
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8AXZ
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid. | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, ADENOSINE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2022-09-01 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.154 Å) | | Cite: | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid.
To Be Published
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6G0D
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6G0F
 | | BRD4 (BD1) in complex with docking-derived ligand | | Descriptor: | (4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Pretzel, J, Humbeck, L. | | Deposit date: | 2018-03-18 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.618 Å) | | Cite: | Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
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6FNX
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR F1 | | Descriptor: | 1,2-ETHANEDIOL, 7-ethyl-3-(phenylmethyl)purine-2,6-dione, Bromodomain-containing protein 4 | | Authors: | Raux, B, Betzi, S. | | Deposit date: | 2018-02-05 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.19 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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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: | 2023-05-24 | | 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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8IJU
 | | ATP-dependent RNA helicase DDX39A (URH49delta41) | | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent RNA helicase DDX39A, PHOSPHATE ION, ... | | Authors: | Mikami, B, Fujita, K, Masuda, S, Kojima, M. | | Deposit date: | 2023-02-28 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural differences between the closely related RNA helicases, UAP56 and URH49, fashion distinct functional apo-complexes.
Nat Commun, 15, 2024
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6G6S
 | | Crystal structure of human Acinus RNA recognition motif domain | | Descriptor: | Apoptotic chromatin condensation inducer in the nucleus | | Authors: | Fernandes, H, Czapinska, H, Grudziaz, K, Bujnicki, J.M, Nowacka, M. | | Deposit date: | 2018-04-03 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of human Acinus RNA recognition motif domain.
PeerJ, 6, 2018
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6FX0
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6G0R
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated POLR2A peptide (K775ac/K778ac) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DNA-directed RNA polymerase II subunit RPB1 | | Authors: | Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | Deposit date: | 2018-03-19 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6G4S
 | | Cryo-EM structure of a late human pre-40S ribosomal subunit - State B | | Descriptor: | 40S ribosomal protein S11, 40S ribosomal protein S13, 40S ribosomal protein S14, ... | | Authors: | Ameismeier, M, Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2018-03-28 | | Release date: | 2018-06-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Visualizing late states of human 40S ribosomal subunit maturation.
Nature, 558, 2018
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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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8ITV
 | | KL2.1 in complex with CRM1-Ran-RanBP1 | | Descriptor: | (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Sun, Q, Jian, L. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | KL2.1 in complex with CRM1-Ran-RanBP1
To Be Published
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8A3D
 | | Human mature large subunit of the ribosome with eIF6 and homoharringtonine bound | | Descriptor: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 28S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Faille, A, Warren, A.J, Dent, K.C. | | Deposit date: | 2022-06-08 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (1.67 Å) | | Cite: | The chemical landscape of the human ribosome at 1.67 angstrom resolution.
Biorxiv, 2023
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6E94
 | | Crystal Structure of ZBTB38 C-terminal Zinc Fingers 6-9 K1055R in complex with methylated DNA | | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*TP*CP*AP*TP*(DCM)P*GP*GP*(DCM)P*GP*CP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*(DCM)P*GP*CP*(DCM)P*GP*AP*TP*GP*AP*GP*TP*GP*C)-3'), ZINC ION, ... | | Authors: | Hudson, N.O, Whitby, F.G, Buck-Koehntop, B.A. | | Deposit date: | 2018-07-31 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.594 Å) | | Cite: | Structural insights into methylated DNA recognition by the C-terminal zinc fingers of the DNA reader protein ZBTB38.
J. Biol. Chem., 293, 2018
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8HZ8
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8INL
 | | LSD1 in complex with S2172 | | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Niwa, H, Sato, S, Umehara, T. | | Deposit date: | 2023-03-10 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | LSD1 in complex with S2172
To Be Published
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6EOC
 | | Crystal structure of AMPylated GRP78 in apo form (Crystal form 2) | | Descriptor: | 78 kDa glucose-regulated protein, CITRATE ANION, SULFATE ION | | Authors: | Yan, Y, Preissler, S, Ron, D, Read, R.J. | | Deposit date: | 2017-10-09 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
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6FRK
 | | Structure of a prehandover mammalian ribosomal SRP and SRP receptor targeting complex | | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Kobayashi, K, Jomaa, A, Ban, N. | | Deposit date: | 2018-02-16 | | Release date: | 2018-03-28 | | Last modified: | 2018-05-02 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of a prehandover mammalian ribosomal SRP·SRP receptor targeting complex.
Science, 360, 2018
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6FZU
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