6FT4
 
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | 分子名称: | 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4 | | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-02-20 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
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8ASC
 | | Ku70/80 binds to the Ku-binding motif of PAXX | | 分子名称: | DNA (5'-D(P*CP*GP*GP*AP*TP*CP*GP*AP*GP*GP*GP*CP*CP*CP*GP*AP*TP*AP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*CP*CP*TP*CP*GP*AP*TP*CP*CP*G)-3'), Protein PAXX, ... | | 著者 | Seif El Dahan, M, Ropars, V, Charbonnier, J.B. | | 登録日 | 2022-08-19 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
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8JF4
 | | The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9 | | 分子名称: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A | | 著者 | Zhu, C.J. | | 登録日 | 2023-05-17 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.89288354 Å) | | 主引用文献 | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
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6GJJ
 | | Cyclophilin A complexed with tri-vector ligand 2. | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | | 登録日 | 2018-05-16 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
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6GNK
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form bound to Carba-NAD | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | 登録日 | 2018-05-31 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6GJI
 | | Cyclophilin A complexed with the tri-vector ligand 8. | | 分子名称: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate | | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | | 登録日 | 2018-05-16 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
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6FCV
 | | Structure of the human DDB1-CSA complex | | 分子名称: | DNA damage-binding protein 1, DNA excision repair protein ERCC-8 | | 著者 | Meulenbroek, E.M, Pannu, N.S. | | 登録日 | 2017-12-21 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | TRiC controls transcription resumption after UV damage by regulating Cockayne syndrome protein A.
Nat Commun, 9, 2018
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8AEL
 | | SYNJ2BP complex with a synthetic Vangl2 peptide (3mer). | | 分子名称: | CALCIUM ION, GLY-GLY-GLY-THR-SER-VAL, GLYCEROL, ... | | 著者 | Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G. | | 登録日 | 2022-07-13 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published
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6FI0
 | | Crystal structure of BAZ2A PHD zinc finger in complex with Fr 19 | | 分子名称: | 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ... | | 著者 | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | 登録日 | 2018-01-16 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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6FHU
 | | Crystal structure of BAZ2A PHD zinc finger in complex with H3 3-mer peptide | | 分子名称: | ALA-ARG-TAM, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ... | | 著者 | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | 登録日 | 2018-01-15 | | 公開日 | 2018-03-21 | | 最終更新日 | 2018-05-02 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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8B3F
 | | Pol II-CSB-CSA-DDB1-ELOF1 | | 分子名称: | DNA damage-binding protein 1, DNA excision repair protein ERCC-6, DNA excision repair protein ERCC-8, ... | | 著者 | Kokic, G, Cramer, P. | | 登録日 | 2022-09-16 | | 公開日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Pol II-CSB-CSA-DDB1-ELOF1 structure.
To Be Published
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8B3I
 | | CRL4CSA-E2-Ub (state 2) | | 分子名称: | Cullin-4A, DNA damage-binding protein 1, DNA excision repair protein ERCC-8, ... | | 著者 | Kokic, G, Cramer, P. | | 登録日 | 2022-09-16 | | 公開日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | C(N)RL4CSA-E2-Ub (state 2)
To Be Published
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8B3D
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6G0E
 | | BRD4 (BD1) in complex with APSC-derived ligands | | 分子名称: | 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one, Bromodomain-containing protein 4, FORMIC ACID, ... | | 著者 | Pretzel, J, Humbeck, L. | | 登録日 | 2018-03-18 | | 公開日 | 2020-01-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.613 Å) | | 主引用文献 | Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
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6G0G
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6G0O
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX | | 著者 | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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8JG8
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6G4W
 | | Cryo-EM structure of a late human pre-40S ribosomal subunit - State A | | 分子名称: | 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ... | | 著者 | Ameismeier, M, Cheng, J, Berninghausen, O, Beckmann, R. | | 登録日 | 2018-03-28 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Visualizing late states of human 40S ribosomal subunit maturation.
Nature, 558, 2018
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6FY4
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6G07
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6G0P
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated E2F1 peptide (K117ac/K120ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcription factor E2F1 | | 著者 | Filippakopoulos, P, Picaud, S, Krojer, T, Sorrell, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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8JF5
 | | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440 | | 分子名称: | 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Fukushima, H, Machida, T, Yamashita, S, Suzuki, T. | | 登録日 | 2023-05-17 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | TAS1440, a histone H3 competitive LSD1 inhibitor, activates both TGF-beta and notch signaling pathways via INSM1 dissociation in neuroendocrine small cell lung cancer
To Be Published
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8BFS
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326 | | 分子名称: | 1,2-ETHANEDIOL, 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine, Calcium/calmodulin-dependent protein kinase type 1D, ... | | 著者 | Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-10-26 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
To Be Published
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8BB2
 | | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2) | | 分子名称: | 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ... | | 著者 | Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-10-12 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
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8BB3
 | | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1) | | 分子名称: | 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ... | | 著者 | Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-10-12 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
To Be Published
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