5FPI
 
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8CWI
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5FRO
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ446 (compound 4f) | | 分子名称: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | | 著者 | Maskell, D.P, Pye, V.E, Cherepanov, P. | | 登録日 | 2015-12-18 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
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5LXN
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8CWJ
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6MH3
 | | The crystal structure of Zika virus NS3 helicase domain | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | | 著者 | Oliva, G, Mesquita, N, Godoy, A. | | 登録日 | 2018-09-17 | | 公開日 | 2018-10-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | The crystal structure of Zika virus NS3 helicase domain
To Be Published
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8OLH
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5LYN
 | | Structure of the Tpr Domain of Sgt2 in complex with yeast Ssa1 peptide fragment | | 分子名称: | PRO-THR-VAL-GLU-GLU-VAL-ASP, Small glutamine-rich tetratricopeptide repeat-containing protein 2, ZINC ION | | 著者 | Krysztofinska, E.M, Evans, N.J, Thapaliya, A, Murray, J.W, Morgan, R.M.L, Martinez-Lumbreras, S, Isaacson, R.L. | | 登録日 | 2016-09-28 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
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8ONR
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7WPX
 | | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP | | 分子名称: | 1,2-ETHANEDIOL, 6-chloranylimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | 登録日 | 2022-01-24 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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5FLO
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | 分子名称: | 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, ZINC ION | | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | 登録日 | 2015-10-28 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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8P26
 | | Crystal structure of Arabidopsis thaliana PAXX | | 分子名称: | U2 small nuclear ribonucleoprotein auxiliary factor-like protein | | 著者 | Ochi, T. | | 登録日 | 2023-05-15 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Plant PAXX has an XLF-like function and stimulates DNA end joining by the Ku-DNA ligase IV/XRCC4 complex.
Plant J., 116, 2023
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8D20
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7WQ0
 | | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase, ... | | 著者 | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | 登録日 | 2022-01-24 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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6MQF
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5FLR
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | 分子名称: | 1.7.6 4-methylpyrimidine-2-sulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | 登録日 | 2015-10-28 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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5FK2
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5M10
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8CV4
 | | Peptide 4.2C in complex with BRD4.2 | | 分子名称: | ACETYL GROUP, AMINO GROUP, BRD4 protein, ... | | 著者 | Franck, C, Mackay, J.P. | | 登録日 | 2022-05-18 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
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5M16
 | | Structure of GH36 alpha-galactosidase from Thermotoga maritima in complex with a hydrolysed cyclopropyl carbasugar. | | 分子名称: | (1~{R},2~{S},3~{S},4~{S},5~{S},6~{S})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol, Alpha-galactosidase, MAGNESIUM ION, ... | | 著者 | Pengelly, R, Gloster, T. | | 登録日 | 2016-10-07 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
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7WA4
 | | Crystal structure of GIGANTEA in complex with LKP2 | | 分子名称: | Adagio protein 2, FLAVIN MONONUCLEOTIDE, Protein GIGANTEA | | 著者 | Pathak, D, Dahal, P, Kwon, E, Kim, D.Y. | | 登録日 | 2021-12-12 | | 公開日 | 2022-04-27 | | 最終更新日 | 2022-05-04 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structural analysis of the regulation of blue-light receptors by GIGANTEA.
Cell Rep, 39, 2022
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8CWK
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5FAQ
 | | OXA-48 in complex with FPI-1465 | | 分子名称: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | 登録日 | 2015-12-11 | | 公開日 | 2016-01-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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5M1A
 | | Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand | | 分子名称: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | | 著者 | Molina, R, Batuecas, M.T, Hermoso, J.A. | | 登録日 | 2016-10-07 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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8P08
 | | Crystal structure of human CLK1 in complex with Leucettinib-21 | | 分子名称: | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1 | | 著者 | Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-05-09 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Chemical, Biochemical, Cellular, and Physiological Characterization of Leucettinib-21, a Down Syndrome and Alzheimer's Disease Drug Candidate.
J.Med.Chem., 66, 2023
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