5GGZ
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![BU of 5ggz by Molmil](/molmil-images/mine/5ggz) | Crystal structure of novel inhibitor bound with Hsp90 | 分子名称: | Heat shock protein HSP 90-alpha, [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone | 著者 | Chen, T.T, Li, J, Xu, Y.C. | 登録日 | 2016-06-16 | 公開日 | 2017-03-08 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | 主引用文献 | Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90 J. Med. Chem., 59, 2016
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1O77
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![BU of 1o77 by Molmil](/molmil-images/mine/1o77) | CRYSTAL STRUCTURE OF THE C713S MUTANT OF THE TIR DOMAIN OF HUMAN TLR2 | 分子名称: | TOLL-LIKE RECEPTOR 2 | 著者 | Tao, X, Xu, Y, Ye, Z, Beg, A.A, Tong, L. | 登録日 | 2002-10-24 | 公開日 | 2002-11-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | An Extensively Associated Dimer in the Structure of the C713S Mutant of the Tir Domain of Human Tlr2 Biochem.Biophys.Res.Commun., 299, 2002
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1KSB
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![BU of 1ksb by Molmil](/molmil-images/mine/1ksb) | Relationship of Solution and Protein-Bound Structures of DNA Duplexes with the Major Intrastrand Cross-Link Lesions Formed on Cisplatin Binding to DNA | 分子名称: | 5'-D(*AP*GP*GP*CP*CP*GP*GP*AP*G)-3', 5'-D(*CP*TP*CP*CP*GP*GP*CP*CP*T)-3', Cisplatin | 著者 | Marzilli, L.G, Saad, J.S, Kuklenyik, Z, Keating, K.A, Xu, Y. | 登録日 | 2002-01-11 | 公開日 | 2002-01-17 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Relationship of solution and protein-bound structures of DNA duplexes with the major intrastrand cross-link lesions formed on cisplatin binding to DNA. J.Am.Chem.Soc., 123, 2001
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3J3T
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![BU of 3j3t by Molmil](/molmil-images/mine/3j3t) | Structural dynamics of the MecA-ClpC complex revealed by cryo-EM | 分子名称: | Adapter protein MecA 1, Negative regulator of genetic competence ClpC/MecB | 著者 | Liu, J, Mei, Z, Li, N, Qi, Y, Xu, Y, Shi, Y, Wang, F, Lei, J, Gao, N. | 登録日 | 2013-04-18 | 公開日 | 2013-05-15 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (9 Å) | 主引用文献 | Structural dynamics of the MecA-ClpC complex: a type II AAA+ protein unfolding machine. J.Biol.Chem., 288, 2013
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3J3R
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![BU of 3j3r by Molmil](/molmil-images/mine/3j3r) | Structural dynamics of the MecA-ClpC complex revealed by cryo-EM | 分子名称: | Adapter protein MecA 1, Negative regulator of genetic competence ClpC/MecB | 著者 | Liu, J, Mei, Z, Li, N, Qi, Y, Xu, Y, Shi, Y, Wang, F, Lei, J, Gao, N. | 登録日 | 2013-04-18 | 公開日 | 2013-05-15 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (9.4 Å) | 主引用文献 | Structural dynamics of the MecA-ClpC complex: a type II AAA+ protein unfolding machine J.Biol.Chem., 288, 2013
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3J3U
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![BU of 3j3u by Molmil](/molmil-images/mine/3j3u) | Structural dynamics of the MecA-ClpC complex revealed by cryo-EM | 分子名称: | Adapter protein MecA 1, Negative regulator of genetic competence ClpC/MecB | 著者 | Liu, J, Mei, Z, Li, N, Qi, Y, Xu, Y, Shi, Y, Wang, F, Lei, J, Gao, N. | 登録日 | 2013-04-18 | 公開日 | 2013-05-15 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (10 Å) | 主引用文献 | Structural dynamics of the MecA-ClpC complex: a type II AAA+ protein unfolding machine. J.Biol.Chem., 288, 2013
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3J3S
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![BU of 3j3s by Molmil](/molmil-images/mine/3j3s) | Structural dynamics of the MecA-ClpC complex revealed by cryo-EM | 分子名称: | Adapter protein MecA 1, Negative regulator of genetic competence ClpC/MecB | 著者 | Liu, J, Mei, Z, Li, N, Qi, Y, Xu, Y, Shi, Y, Wang, F, Lei, J, Gao, N. | 登録日 | 2013-04-18 | 公開日 | 2013-05-15 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (11 Å) | 主引用文献 | Structural dynamics of the MecA-ClpC complex: a type II AAA+ protein unfolding machine. J.Biol.Chem., 288, 2013
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1MOT
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![BU of 1mot by Molmil](/molmil-images/mine/1mot) | NMR Structure Of Extended Second Transmembrane Domain Of Glycine Receptor alpha1 Subunit in SDS Micelles | 分子名称: | Glycine Receptor alpha-1 CHAIN | 著者 | Yushmanov, V.E, Mandal, P.K, Liu, Z, Tang, P, Xu, Y. | 登録日 | 2002-09-09 | 公開日 | 2003-09-23 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR Structure and Backbone Dynamics of the Extended Second Transmembrane Domain of the Human Neuronal Glycine Receptor Alpha1 Subunit Biochemistry, 42, 2003
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5GWZ
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![BU of 5gwz by Molmil](/molmil-images/mine/5gwz) | The structure of Porcine epidemic diarrhea virus main protease in complex with an inhibitor | 分子名称: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, PEDV main protease | 著者 | Wang, F, Chen, C, Yang, K, Liu, X, Liu, H, Xu, Y, Chen, X, Liu, X, Cai, Y, Yang, H. | 登録日 | 2016-09-14 | 公開日 | 2017-03-29 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.444 Å) | 主引用文献 | Michael Acceptor-Based Peptidomimetic Inhibitor of Main Protease from Porcine Epidemic Diarrhea Virus J. Med. Chem., 60, 2017
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5COI
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![BU of 5coi by Molmil](/molmil-images/mine/5coi) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid, Bromodomain-containing protein 4 | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-20 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CPE
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![BU of 5cpe by Molmil](/molmil-images/mine/5cpe) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-21 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CP5
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![BU of 5cp5 by Molmil](/molmil-images/mine/5cp5) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, Bromodomain-containing protein 4, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-21 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CS8
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![BU of 5cs8 by Molmil](/molmil-images/mine/5cs8) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-23 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5D0C
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![BU of 5d0c by Molmil](/molmil-images/mine/5d0c) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-08-03 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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4PY4
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![BU of 4py4 by Molmil](/molmil-images/mine/4py4) | |
5CTL
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![BU of 5ctl by Molmil](/molmil-images/mine/5ctl) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-24 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5DX4
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![BU of 5dx4 by Molmil](/molmil-images/mine/5dx4) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-09-23 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CQT
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![BU of 5cqt by Molmil](/molmil-images/mine/5cqt) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-22 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CRM
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![BU of 5crm by Molmil](/molmil-images/mine/5crm) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-23 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CY9
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![BU of 5cy9 by Molmil](/molmil-images/mine/5cy9) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-30 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CRZ
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![BU of 5crz by Molmil](/molmil-images/mine/5crz) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-23 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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4RAP
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![BU of 4rap by Molmil](/molmil-images/mine/4rap) | Crystal structure of bacterial iron-containing dodecameric glycosyltransferase TibC from enterotoxigenic E.coli H10407 | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase TibC | 著者 | Yao, Q, Lu, Q, Xu, Y, Shao, F. | 登録日 | 2014-09-10 | 公開日 | 2014-10-29 | 実験手法 | X-RAY DIFFRACTION (2.881 Å) | 主引用文献 | A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family. Elife, 3, 2014
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6M6P
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![BU of 6m6p by Molmil](/molmil-images/mine/6m6p) | Structure of Marine bacterial laminarinase mutant E135A in complex with 1,3-beta-cellotriosyl-glucose | 分子名称: | CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase | 著者 | Yang, J, Xu, Y, Tanokura, M, Long, L, Miyakawa, T. | 登録日 | 2020-03-16 | 公開日 | 2020-09-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase. Appl.Environ.Microbiol., 86, 2020
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5YE9
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![BU of 5ye9 by Molmil](/molmil-images/mine/5ye9) | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | 分子名称: | N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION | 著者 | Liu, Q.F, Xu, Y.C. | 登録日 | 2017-09-15 | 公開日 | 2018-07-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.876 Å) | 主引用文献 | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J. Med. Chem., 60, 2017
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5YE7
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![BU of 5ye7 by Molmil](/molmil-images/mine/5ye7) | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | 分子名称: | N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION | 著者 | Liu, Q.F, Xu, Y.C. | 登録日 | 2017-09-15 | 公開日 | 2018-07-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.312 Å) | 主引用文献 | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J. Med. Chem., 60, 2017
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