5XTA
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![BU of 5xta by Molmil](/molmil-images/mine/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
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![BU of 6ivz by Molmil](/molmil-images/mine/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
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![BU of 6iw0 by Molmil](/molmil-images/mine/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
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![BU of 2qjr by Molmil](/molmil-images/mine/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
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![BU of 5xhs by Molmil](/molmil-images/mine/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
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![BU of 7dsy by Molmil](/molmil-images/mine/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
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![BU of 6l6h by Molmil](/molmil-images/mine/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
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![BU of 6l6g by Molmil](/molmil-images/mine/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
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![BU of 7dts by Molmil](/molmil-images/mine/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
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![BU of 7elw by Molmil](/molmil-images/mine/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
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![BU of 6mdc by Molmil](/molmil-images/mine/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
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![BU of 7ezp by Molmil](/molmil-images/mine/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
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![BU of 7ezr by Molmil](/molmil-images/mine/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
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![BU of 7ezf by Molmil](/molmil-images/mine/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
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![BU of 5yj1 by Molmil](/molmil-images/mine/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
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![BU of 5z3r by Molmil](/molmil-images/mine/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
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![BU of 6mx8 by Molmil](/molmil-images/mine/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
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![BU of 7ya0 by Molmil](/molmil-images/mine/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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