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6YQN
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BU of 6yqn by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
6GBM
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BU of 6gbm by Molmil
Solution structure of FUS-RRM bound to stem-loop RNA
分子名称: RNA (5'-R(*GP*GP*CP*AP*GP*AP*UP*UP*AP*CP*AP*AP*UP*UP*CP*UP*AP*UP*UP*UP*GP*CP*C)-3'), RNA-binding protein FUS
著者Loughlin, F.E, Allain, F.H.-T.
登録日2018-04-15
公開日2019-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Solution Structure of FUS Bound to RNA Reveals a Bipartite Mode of RNA Recognition with Both Sequence and Shape Specificity.
Mol. Cell, 73, 2019
6FX0
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Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne
分子名称: 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid, Retinoic acid receptor gamma, TETRAETHYLENE GLYCOL
著者Chantalat, L, Thoreau, E.
登録日2018-03-08
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne.
Bioorg. Med. Chem. Lett., 28, 2018
6G0R
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BU of 6g0r by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated POLR2A peptide (K775ac/K778ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DNA-directed RNA polymerase II subunit RPB1
著者Filippakopoulos, P, Picaud, S, 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 (1.25 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
6YF5
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Lamin A 17-70 coil1A dimer stabilized by C-terminal capping
分子名称: Prelamin-A/C,Microtubule-associated protein RP/EB family member 1
著者Lilina, A.V, Stalmans, G, Strelkov, S.V.
登録日2020-03-26
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Addressing the Molecular Mechanism of Longitudinal Lamin Assembly Using Chimeric Fusions.
Cells, 9, 2020
6G4S
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BU of 6g4s by Molmil
Cryo-EM structure of a late human pre-40S ribosomal subunit - State B
分子名称: 40S ribosomal protein S11, 40S ribosomal protein S13, 40S ribosomal protein S14, ...
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 Å)
主引用文献Visualizing late states of human 40S ribosomal subunit maturation.
Nature, 558, 2018
6Y9V
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BU of 6y9v by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-8,13)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
4A4D
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BU of 4a4d by Molmil
Crystal structure of the N-terminal domain of the Human DEAD-BOX RNA helicase DDX5 (P68)
分子名称: PROBABLE ATP-DEPENDENT RNA HELICASE DDX5
著者Dutta, S, Choi, Y.W, Kotaka, M, Fielding, B.C, Tan, Y.J.
登録日2011-10-11
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Variable N-Terminal Region of Ddx5 Contains Structural Elements and Auto-Inhibits its Interaction with Ns5B of Hepatitis C Virus.
Biochem.J., 446, 2012
6YQP
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BU of 6yqp by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22
分子名称: (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
6YIN
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BU of 6yin by Molmil
Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
分子名称: (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, Bromodomain-containing protein 4
著者Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
登録日2020-04-01
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
To Be Published
4A0A
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BU of 4a0a by Molmil
Structure of hsDDB1-drDDB2 bound to a 16 bp CPD-duplex (pyrimidine at D-1 position) at 3.6 A resolution (CPD 3)
分子名称: 5'-D(*CP*CP*TP*GP*CP*TP*CP*CP*TP*TP*TP*CP*AP*CP*CP*C)-3', 5'-D(*GP*GP*TP*GP*AP*AP*AP*(TTD)P*AP*GP*CP*AP*GP*DGP)-3', CALCIUM ION, ...
著者Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H.
登録日2011-09-08
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation
Cell(Cambridge,Mass.), 147, 2011
6Y2L
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BU of 6y2l by Molmil
Structure of human ribosome in POST state
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
著者Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A.
登録日2020-02-16
公開日2020-04-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
6FO5
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BU of 6fo5 by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17
分子名称: 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
著者Raux, B, Betzi, S.
登録日2018-02-06
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018
6Y9Y
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BU of 6y9y by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6FWB
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BU of 6fwb by Molmil
Crystal structure of Mat2A at 1.79 Angstron resolution
分子名称: GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ...
著者Zhou, A, Wei, Z, Bai, J, Wang, H.
登録日2018-03-06
公開日2019-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
6YQO
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BU of 6yqo by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12
分子名称: (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
6Y9W
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BU of 6y9w by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6YBW
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BU of 6ybw by Molmil
Structure of a human 48S translational initiation complex - 40S body
分子名称: 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
著者Brito Querido, J, Sokabe, M, Kraatz, S, Gordiyenko, Y, Skehel, M, Fraser, C, Ramakrishnan, V.
登録日2020-03-18
公開日2020-09-16
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of a human 48Stranslational initiation complex.
Science, 369, 2020
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Bothe, S, Schindelin, H.
登録日2021-10-01
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
6YNH
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BU of 6ynh by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 4 of 4
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
著者Roversi, P, Lia, A.
登録日2020-04-13
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
6G0E
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BU of 6g0e by Molmil
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
6G0G
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BRD4 (BD1) in complex with APSC-derived ligands (e.g. sulfasalazine)
分子名称: 1,2-ETHANEDIOL, 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, Bromodomain-containing protein 4, ...
著者Humbeck, L, Pretzel, J.
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 (1.478 Å)
主引用文献Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
6G0O
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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
6YCS
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BU of 6ycs by Molmil
Human Transcription Cofactor PC4 DNA-binding domain in complex with full phosphorothioate 5-10-5 2'-O-methyl DNA gapmer antisense oligonucleotide.
分子名称: DNA (5'-D(P*(OKQ))-D(P*(OKT))-R(P*(RFJ))-D(*(OKQ)P*(OKT)P*(AS)P*(GS)P*(OKN)P*(OKN)P*(PST)P*(OKN)P*(PST)P*(GS)P*(GS)P*(AS)P*(OKT)P*(OKT))-3'), PC4 protein, SODIUM ION, ...
著者Hyjek-Skladanowska, M, Vickers, T.A, Napiorkowska, A, Anderson, B, Tanowitz, M, Crooke, S.T, Liang, X, Seth, P.P, Nowotny, M.
登録日2020-03-19
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Origins of the Increased Affinity of Phosphorothioate-Modified Therapeutic Nucleic Acids for Proteins.
J.Am.Chem.Soc., 142, 2020
6G4W
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BU of 6g4w by Molmil
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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件を2024-08-07に公開中

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