4TKQ
 
 | | Native-SAD phasing for YetJ from Bacillus Subtilis | | 分子名称: | CALCIUM ION, CHLORIDE ION, Uncharacterized protein YetJ | | 著者 | Liu, Q, Chang, Y, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | | 登録日 | 2014-05-27 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.8025 Å) | | 主引用文献 | Multi-crystal native SAD analysis at 6 keV.
Acta Crystallogr.,Sect.D, 70, 2014
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6VG0
 | | CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056 | | 分子名称: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine | | 著者 | Padyana, A, Jin, L. | | 登録日 | 2020-01-07 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
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6VEI
 | | Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | | 著者 | Padyana, A, Jin, L. | | 登録日 | 2020-01-02 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
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6VFZ
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor. | | 分子名称: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | | 著者 | Padyana, A, Jin, L. | | 登録日 | 2020-01-07 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
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4EHR
 | | Crystal structure of Bcl-Xl complex with 4-(5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2(1h)-isoquinolinylcarbonyl)-n-((2-(trimethylsilyl)ethyl)sulfonyl)benzamide | | 分子名称: | 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide, Bcl-2-like protein 1, IMIDAZOLE | | 著者 | Schroeder, G.M, Wei, D, Banfi, P, Cai, Z, Lippy, J, Menichincheri, M, Modugno, M, Naglich, J, Penhallow, B, Perez, H.L, Sack, J, Schmidt, R.J, Tebben, A, Yan, C, Zhang, L, Galvani, A, Lombardo, L.J, Borzilleri, R.M. | | 登録日 | 2012-04-03 | | 公開日 | 2012-06-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Pyrazole and pyrimidine phenylacylsulfonamides as dual Bcl-2/Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
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3UNP
 | | Structure of human SUN2 SUN domain | | 分子名称: | ACETYL GROUP, SUN domain-containing protein 2 | | 著者 | Zhou, Z.C, Greene, M.I. | | 登録日 | 2011-11-16 | | 公開日 | 2011-12-21 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structure of Sad1-UNC84 homology (SUN) domain defines features of molecular bridge in nuclear envelope
J.Biol.Chem., 287, 2012
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4I1L
 | | Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function | | 分子名称: | ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ... | | 著者 | Song, X.M, Greene, M.I, Zhou, Z.C. | | 登録日 | 2012-11-21 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
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7KGY
 | | Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide | | 分子名称: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL | | 著者 | Simpson, J.B, Redinbo, M.R. | | 登録日 | 2020-10-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
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7KGZ
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6XB7
 | | IRES-targeting Small Molecule Inhibits Enterovirus 71 Replication via Allosteric Stabilization of a Ternary Complex | | 分子名称: | 3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide, RNA (41-MER) | | 著者 | Tolbert, B.S, Davila, J, Sugarman, A.L, Chiu, L.Y. | | 登録日 | 2020-06-05 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex.
Nat Commun, 11, 2020
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4TKR
 | | Native-SAD phasing for ThiT from Listeria monocytogenes serovar. | | 分子名称: | 2-O-octyl-beta-D-glucopyranose, THIAMINE DIPHOSPHATE, Thiamine transporter thia | | 著者 | Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | | 登録日 | 2014-05-27 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.0023 Å) | | 主引用文献 | Multi-crystal native SAD analysis at 6 keV.
Acta Crystallogr.,Sect.D, 70, 2014
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5ZNJ
 | | Crystal structure of a bacterial ProRS with ligands | | 分子名称: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Cheng, B, Yu, Y, Zhou, H. | | 登録日 | 2018-04-09 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
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5ZNK
 | | Crystal structure of a bacterial ProRS with ligands | | 分子名称: | 7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Cheng, B, Yu, Y, Zhou, H. | | 登録日 | 2018-04-09 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
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5Z4Y
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5Z4Z
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5Z50
 | | Crystal structure of PaCysB regulatory domain | | 分子名称: | Cys regulon transcriptional activator, GLYCEROL, SULFATE ION | | 著者 | Yang, C, Liang, H, Gan, J. | | 登録日 | 2018-01-15 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.206 Å) | | 主引用文献 | Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
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1P30
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1P2Z
 | | Refinement of Adenovirus Type 2 Hexon with CNS | | 分子名称: | CITRIC ACID, Hexon protein | | 著者 | Rux, J.J, Kuser, P.R, Burnett, R.M. | | 登録日 | 2003-04-16 | | 公開日 | 2003-11-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural and phylogenetic analysis of adenovirus hexons by use of
high-resolution x-ray crystallographic, molecular modeling, and sequence-based
methods
J.VIROL., 77, 2003
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8HLT
 | | The co-crystal structure of DYRK2 with YK-2-99B | | 分子名称: | (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N. | | 登録日 | 2022-12-01 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
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7DXO
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7CRN
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7CBG
 | | Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | | 分子名称: | (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide, Threonine--tRNA ligase, ZINC ION | | 著者 | Guo, J, Chen, B, Zhou, H. | | 登録日 | 2020-06-12 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
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7DOR
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7DPR
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7DPS
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