5XSU
 
 | | novel orally efficacious inhibitors complexed with PARP1 | | 分子名称: | 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | 著者 | Liu, Q, Xu, Y. | | 登録日 | 2017-06-15 | | 公開日 | 2018-04-25 | | 最終更新日 | 2025-09-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
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7RIL
 | | Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG | | 分子名称: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, ACETATE ION, non-template DNA, ... | | 著者 | Oh, J, Dervan, P.B, Wang, D. | | 登録日 | 2021-07-20 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
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9H4E
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6Z8L
 | | Alpha-Amylase in complex with probe fragments | | 分子名称: | CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ... | | 著者 | Adam, S, Koehnke, J. | | 登録日 | 2020-06-02 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.40000367 Å) | | 主引用文献 | Enhancing glycan stability via site-selective fluorination: modulating substrate orientation by molecular design.
Chem Sci, 12, 2020
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6P39
 | | Crystal Structure Analysis of TAF1 Bromodomain | | 分子名称: | 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1 | | 著者 | Seo, H.-S, Dhe-Paganon, S. | | 登録日 | 2019-05-23 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.941 Å) | | 主引用文献 | Crystal Structure Analysis of TAF1 Bromodomain
To Be Published
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9EQ5
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6AQ3
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8RT0
 | | BTV-15 VP5 pH 6.0 | | 分子名称: | 1,2-ETHANEDIOL, Outer capsid protein VP5 | | 著者 | Stuart, D.I, Sutton, G.C. | | 登録日 | 2024-01-25 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | The effect of pH on the structure of Bluetongue virus VP5.
J.Gen.Virol., 105, 2024
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9DUE
 | | Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-07-081a | | 分子名称: | 3-chloro-6-(4-methylpiperazin-1-yl)-4-(pyridin-4-yl)pyridazine, BORIC ACID, Death-associated protein kinase 1, ... | | 著者 | Minasov, G, Winsor, J, Roy, S.M, Watterson, D.M, Shuvalova, L. | | 登録日 | 2024-10-02 | | 公開日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-07-081a
To Be Published
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8S3B
 | | Crystal structure of Medicago truncatula glutamate dehydrogenase 2 in complex with 3-(1H-Tetrazol-5-yl)benzoic acid and NAD | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(1~{H}-1,2,3,4-tetrazol-5-yl)benzoic acid, ... | | 著者 | Grzechowiak, M, Ruszkowski, M. | | 登録日 | 2024-02-19 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Legume-type glutamate dehydrogenase: Structure, activity, and inhibition studies.
Int.J.Biol.Macromol., 278, 2024
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8RU4
 | | Crystal structure of Human Catenin Beta-1 in complex with stitched peptide inhibitor | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Axin-1, CHLORIDE ION, ... | | 著者 | Yeste Vazquez, A, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | 登録日 | 2024-01-30 | | 公開日 | 2024-09-04 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structure-Based Design of Bicyclic Helical Peptides That Target the Oncogene beta-Catenin.
Angew.Chem.Int.Ed.Engl., 63, 2024
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7Y1G
 | | Crystal structure of human PRKACA complexed with DS01080522 | | 分子名称: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Suzuki, M, Ubukata, O, Toyoda, A. | | 登録日 | 2022-06-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
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8A1H
 | | Bacterial 6-4 photolyase from Vibrio cholerase | | 分子名称: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-4 photolyase (FeS-BCP, ... | | 著者 | Essen, L.-O, Emmerich, H.J. | | 登録日 | 2022-06-01 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural and Functional Analysis of a Prokaryotic (6-4) Photolyase from the Aquatic Pathogen Vibrio Cholerae † .
Photochem.Photobiol., 99, 2023
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5SYB
 | | Crystal structure of human PHF5A | | 分子名称: | 1,2-ETHANEDIOL, PHD finger-like domain-containing protein 5A, ZINC ION | | 著者 | Tsai, J.H.C, Teng, T, Zhu, P, Fekkes, P, Larsen, N.A. | | 登録日 | 2016-08-10 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Splicing modulators act at the branch point adenosine binding pocket defined by the PHF5A-SF3b complex.
Nat Commun, 8, 2017
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8R2A
 | | CpKRS complexed with lysine and an inhibitor | | 分子名称: | 2-azanyl-4-(trifluoromethyl)-6-[[(1~{R},3~{S})-3-(trifluoromethyl)cyclohexyl]methyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Dawson, A, Baragana, B, Caldwell, N. | | 登録日 | 2023-11-03 | | 公開日 | 2024-10-30 | | 最終更新日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Cryptosporidium lysyl-tRNA synthetase inhibitors define the interplay between solubility and permeability required to achieve efficacy.
Sci Transl Med, 16, 2024
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3FEL
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6X18
 | | GLP-1 peptide hormone bound to Glucagon-Like peptide-1 (GLP-1) Receptor | | 分子名称: | Glucagon, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Belousoff, M.J, Zhang, X, Danev, R. | | 登録日 | 2020-05-18 | | 公開日 | 2020-09-09 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists.
Mol.Cell, 80, 2020
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4ZK5
 | | MAP4K4 in complex with inhibitor GNE-495 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ... | | 著者 | Harris, S.F, Wu, P, Coons, M. | | 登録日 | 2015-04-29 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis.
Acs Med.Chem.Lett., 6, 2015
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3T0T
 | | Crystal structure of S. aureus Pyruvate Kinase | | 分子名称: | N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide, PHOSPHATE ION, Pyruvate kinase | | 著者 | Worrall, L.J, Vuckovic, M, Strynadka, N.C.J. | | 登録日 | 2011-07-20 | | 公開日 | 2012-06-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Cheminformatics-driven discovery of selective, nanomolar inhibitors for staphylococcal pyruvate kinase.
Acs Chem.Biol., 7, 2012
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5LMT
 | | Structure of bacterial 30S-IF1-IF3-mRNA-tRNA translation pre-initiation complex(state-3) | | 分子名称: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | 著者 | Hussain, T, Llacer, J.L, Wimberly, B.T, Ramakrishnan, V. | | 登録日 | 2016-08-01 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (4.15 Å) | | 主引用文献 | Large-Scale Movements of IF3 and tRNA during Bacterial Translation Initiation.
Cell, 167, 2016
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6QR2
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | 分子名称: | 5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-19 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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5JAP
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8QUG
 | | KRAS-G12C in Complex with Compound 1 | | 分子名称: | (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Fischer, G, Kratochvil, B. | | 登録日 | 2023-10-16 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Targeting cancer with small-molecule pan-KRAS degraders.
Science, 385, 2024
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5FGJ
 | | Structure of tetrameric rat phenylalanine hydroxylase, residues 1-453 | | 分子名称: | FE (III) ION, MAGNESIUM ION, Phenylalanine-4-hydroxylase | | 著者 | Taylor, A.B, Roberts, K.M, Fitzpatrick, P.F. | | 登録日 | 2015-12-20 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Domain Movements upon Activation of Phenylalanine Hydroxylase Characterized by Crystallography and Chromatography-Coupled Small-Angle X-ray Scattering.
J.Am.Chem.Soc., 138, 2016
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6DQO
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