5XTA
 
 | | Crystal structure of lpg1832, a VirK family protein from Legionella pneumophila | | 分子名称: | GLYCEROL, SULFATE ION, VirK protein | | 著者 | Yin, S, Gong, X, Zhang, N, Ge, H. | | 登録日 | 2017-06-18 | | 公開日 | 2017-08-16 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of lpg1832, a VirK family protein from Legionella pneumophila, reveals a novel fold for bacterial VirK proteins
FEBS Lett., 591, 2017
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6IVZ
 | | Crystal structure of 5A ScFv complexed with YFV-China sE in postfusion state | | 分子名称: | Envelope protein, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A | | 著者 | Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F. | | 登録日 | 2018-12-04 | | 公開日 | 2019-02-13 | | 最終更新日 | 2019-02-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
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6IW0
 | | Crystal structure of 5A ScFv in complex with YFV-17D sE in postfusion state | | 分子名称: | Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A | | 著者 | Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F. | | 登録日 | 2018-12-04 | | 公開日 | 2019-02-13 | | 最終更新日 | 2019-02-27 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
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2QJR
 | | dipepdyl peptidase IV in complex with inhibitor PZF | | 分子名称: | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Shenping, L. | | 登録日 | 2007-07-09 | | 公開日 | 2008-07-29 | | 最終更新日 | 2022-04-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | (3R,4S)-4-(2,4,5-Trifluorophenyl)-pyrrolidin-3-ylamine inhibitors of dipeptidyl peptidase IV: synthesis, in vitro, in vivo, and X-ray crystallographic characterization.
Bioorg.Med.Chem.Lett., 17, 2007
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5XHS
 | | Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | | 分子名称: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... | | 著者 | Yu, Y, Li, B, Chen, Q. | | 登録日 | 2017-04-24 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
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7DSY
 | | Crystal Structure of RNase L in complex with KM05073 | | 分子名称: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, ... | | 著者 | Tang, J, Huang, H. | | 登録日 | 2021-01-03 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | | 主引用文献 | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
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6L6H
 | | Crystal structure of Lpg0189 | | 分子名称: | ACETATE ION, GLYCEROL, Uncharacterized protein Lpg0189 | | 著者 | Ge, H, Chen, X. | | 登録日 | 2019-10-29 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.403 Å) | | 主引用文献 | Crystal structure of a hypothetical T2SS effector Lpg0189 from Legionella pneumophila reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 521, 2020
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6L6G
 | | Crystal structure of SeMet_Lpg0189 | | 分子名称: | GLYCEROL, Uncharacterized protein Lpg0189 | | 著者 | Ge, H, Chen, X. | | 登録日 | 2019-10-29 | | 公開日 | 2019-11-27 | | 最終更新日 | 2020-01-15 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Crystal structure of a hypothetical T2SS effector Lpg0189 from Legionella pneumophila reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 521, 2020
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7DTS
 | | Crystal structure of RNase L in complex with AC40357 | | 分子名称: | 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, Ribonuclease L, ... | | 著者 | Tang, J, Huang, H. | | 登録日 | 2021-01-06 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
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7ELW
 | | Crystal structure of RNase L in complex with Myricetin | | 分子名称: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATE ION, Ribonuclease L, ... | | 著者 | Tang, J, Huang, H. | | 登録日 | 2021-04-12 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | | 主引用文献 | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
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6MDC
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389 | | 分子名称: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Fodor, M, Stams, T. | | 登録日 | 2018-09-04 | | 公開日 | 2019-02-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
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5YJ0
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5YIZ
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7EZP
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2021-06-01 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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7EZR
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2021-06-01 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.27 Å) | | 主引用文献 | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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7EZF
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2021-06-01 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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5YJ1
 | | Mouse Cereblon thalidomide binding domain complexed with R-form thalidomide | | 分子名称: | 2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione, Protein cereblon, SULFATE ION, ... | | 著者 | Mori, T, Hakoshima, T. | | 登録日 | 2017-10-06 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis of thalidomide enantiomer binding to cereblon
Sci Rep, 8, 2018
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6MDD
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5Z3R
 | | Crystal Structure of Delta 5-3-Ketosteroid Isomerase from Mycobacterium sp. | | 分子名称: | Steroid delta-isomerase | | 著者 | Cheng, X.Y, Peng, F, Yang, F, Huang, Y.Q, Su, Z.D. | | 登録日 | 2018-01-08 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structure-based reconstruction of a Mycobacterium hypothetical protein into an active Delta5-3-ketosteroid isomerase.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
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6MD9
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6MDA
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6MX8
 | | Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | | 分子名称: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | | 著者 | Dougan, D.R, Zhou, T. | | 登録日 | 2018-10-30 | | 公開日 | 2018-12-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
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7YGG
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7YA0
 | | Cryo-EM structure of hACE2-bound SARS-CoV-2 Omicron spike protein with L371S, P373S and F375S mutations (S-6P-RRAR) | | 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, Processed angiotensin-converting enzyme 2, ... | | 著者 | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | | 登録日 | 2022-06-26 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
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7SL2
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