8Q1N
 
 | | Cyclic peptide binder of the WBM-site of WDR5 | | 分子名称: | Cyclic peptide inhibitor, WD repeat-containing protein 5 | | 著者 | Schmeing, S, Chang, J.Y, t Hart, P, Gasper, R. | | 登録日 | 2023-08-01 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.843 Å) | | 主引用文献 | Macrocyclic peptides as inhibitors of WDR5-lncRNA interactions.
Chem.Commun.(Camb.), 59, 2023
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8PXM
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) | | 分子名称: | (1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Chung, C.W. | | 登録日 | 2023-07-23 | | 公開日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.378 Å) | | 主引用文献 | Design and Characterization of 1,3-Dihydro-2 H -benzo[ d ]azepin-2-ones as Rule-of-5 Compliant Bivalent BET Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8PXA
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6J67
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6JJ6
 | | BRD4 in complex with 500 | | 分子名称: | 1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one, Bromodomain-containing protein 4 | | 著者 | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | 登録日 | 2019-02-25 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | BRD4 in complex with ZZM1
To Be Published
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8PQN
 | | NQO1 bound to RBS-10 | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide | | 著者 | Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A. | | 登録日 | 2023-07-11 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8PMP
 | | Structure of the human nuclear cap-binding complex bound to ARS2[147-871] and m7GTP | | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ... | | 著者 | Dubiez, E, Pellegrini, E, Foucher, A.E, Cusack, S, Kadlec, J. | | 登録日 | 2023-06-29 | | 公開日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Structural basis for competitive binding of productive and degradative co-transcriptional effectors to the nuclear cap-binding complex.
Cell Rep, 43, 2024
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8Q34
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | | 著者 | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | | 登録日 | 2023-08-03 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Mapping protein binding sites by photoreactive fragment pharmacophores
Res Sq, 2023
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8Q5H
 | | Human KMN network (outer kinetochore) | | 分子名称: | Kinetochore protein Spc24, Kinetochore protein Spc25, Kinetochore scaffold 1, ... | | 著者 | Raisch, T, Polley, S, Vetter, I, Musacchio, A, Raunser, S. | | 登録日 | 2023-08-09 | | 公開日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Insights into human outer kinetochore assembly and force transmission from a structure-function analysis of the KMN network
To Be Published
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6JI3
 | | BRD4-BD1 bound with ligand 103 | | 分子名称: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | | 著者 | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | | 登録日 | 2019-02-20 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | brd4-bd1 bound with ligand 103
To Be Published
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8PR4
 | | Dynactin pointed end bound to JIP3 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Arp11, C-Jun-amino-terminal kinase-interacting protein 3, ... | | 著者 | Singh, K, Lau, C.K, Manigrasso, G, Gassmann, R, Carter, A.P. | | 登録日 | 2023-07-12 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Molecular mechanism of dynein-dynactin complex assembly by LIS1.
Science, 383, 2024
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8QEY
 | | Structure of human Asc1/CD98hc heteromeric amino acid transporter | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ... | | 著者 | Martinez-Molledo, M, Rullo-Tubau, J, Errasti-Murugarren, E, Palacin, M, Llorca, O. | | 登録日 | 2023-09-01 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structure and mechanisms of transport of human Asc1/CD98hc amino acid transporter.
Nat Commun, 15, 2024
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8PXX
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8PXW
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6JMQ
 | | LAT1-CD98hc complex bound to MEM-108 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ... | | 著者 | Lee, Y, Nishizawa, T, Kusakizako, T, Oda, K, Ishitani, R, Nakane, T, Nureki, O. | | 登録日 | 2019-03-13 | | 公開日 | 2019-06-19 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Cryo-EM structure of the human L-type amino acid transporter 1 in complex with glycoprotein CD98hc.
Nat.Struct.Mol.Biol., 26, 2019
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8Q7W
 | | Structure of the recycling U5 snRNP bound to chaperone CD2BP2 (State 3) | | 分子名称: | 116 kDa U5 small nuclear ribonucleoprotein component, CD2 antigen cytoplasmic tail-binding protein 2, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Riabov Bassat, D, Plaschka, C, Vorlaender, M.K. | | 登録日 | 2023-08-17 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structural basis of human U5 snRNP late biogenesis and recycling.
Nat.Struct.Mol.Biol., 31, 2024
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6JIB
 | | Human MTHFD2 in complex with DS44960156 | | 分子名称: | 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | 著者 | Suzuki, M, Matsui, Y, Kawai, J. | | 登録日 | 2019-02-20 | | 公開日 | 2019-06-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
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6JJ5
 | | BRD4 in complex with 259 | | 分子名称: | 3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide, Bromodomain-containing protein 4 | | 著者 | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | 登録日 | 2019-02-25 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | BRD4 in complex with ZZM1
To Be Published
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6JI4
 | | brd4-bd1 bound with ligand 138 | | 分子名称: | (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | 著者 | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | | 登録日 | 2019-02-20 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | brd4-bd1 bound with ligand 138
To Be Published
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6JIO
 | | Human LXR-beta in complex with a ligand | | 分子名称: | Oxysterols receptor LXR-beta, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate | | 著者 | Zhang, Z, Zhou, H. | | 登録日 | 2019-02-22 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay.
Eur.J.Med.Chem., 178, 2019
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8PK5
 | | INTS13-INTS14 complex with ZNF609 | | 分子名称: | Integrator complex subunit 13, Integrator complex subunit 14,Zinc finger protein 609, MAGNESIUM ION | | 著者 | Sabath, K, Jonas, S. | | 登録日 | 2023-06-25 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Basis of gene-specific transcription regulation by the Integrator complex.
Mol.Cell, 84, 2024
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8PR7
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6JI5
 | | brd4-bd1 bound with ligand 167 | | 分子名称: | (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | 著者 | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | | 登録日 | 2019-02-20 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | brd4-bd1 bound with ligand 167
To Be Published
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6JID
 | | Human MTHFD2 in complex with Compound 1 | | 分子名称: | 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | 著者 | Suzuki, M, Matsui, Y, Matsuhashi, N, Kawai, J. | | 登録日 | 2019-02-20 | | 公開日 | 2019-06-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
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6JJB
 | | BRD4 in complex with ZZM1 | | 分子名称: | 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | 著者 | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | 登録日 | 2019-02-25 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.508 Å) | | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
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