7TTF
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![BU of 7ttf by Molmil](/molmil-images/mine/7ttf) | Tubulin-RB3_SLD in complex with compound 12k | 分子名称: | 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | White, S.W, Yun, M. | 登録日 | 2022-02-01 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo. Acs Pharmacol Transl Sci, 6, 2023
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7TTE
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![BU of 7tte by Molmil](/molmil-images/mine/7tte) | Tubulin-RB3_SLD in complex with compound 12j | 分子名称: | 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | White, S.W, Yun, M. | 登録日 | 2022-02-01 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo. Acs Pharmacol Transl Sci, 6, 2023
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5FHR
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5FHX
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![BU of 5fhx by Molmil](/molmil-images/mine/5fhx) | CRYSTAL STRUCTURE OF CODV IN COMPLEX WITH IL4 AT 2.55 Ang. RESOLUTION. | 分子名称: | Antibody fragment light chain, Interleukin-4, PHOSPHATE ION, ... | 著者 | Vallee, F, Dupuy, A, Rak, A. | 登録日 | 2015-12-22 | 公開日 | 2016-03-30 | 最終更新日 | 2018-10-24 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications. Mabs, 8, 2016
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4J5E
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![BU of 4j5e by Molmil](/molmil-images/mine/4j5e) | Human Cyclophilin D Complexed with an Inhibitor | 分子名称: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | 著者 | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | 登録日 | 2013-02-08 | 公開日 | 2014-02-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | 主引用文献 | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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5ZGU
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4JA8
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![BU of 4ja8 by Molmil](/molmil-images/mine/4ja8) | Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor | 分子名称: | 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea, CALCIUM ION, GLYCEROL, ... | 著者 | Wei, W, Chen, L, Wu, M, Jiang, F, Travins, J, Qian, K, DeLaBarre, B. | 登録日 | 2013-02-18 | 公開日 | 2013-04-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation. Science, 340, 2013
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6VSL
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![BU of 6vsl by Molmil](/molmil-images/mine/6vsl) | Crystal structure of a human fucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Tolbert, W.D, Pazgier, M. | 登録日 | 2020-02-11 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells. J.Virol., 95, 2021
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6VSZ
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![BU of 6vsz by Molmil](/molmil-images/mine/6vsz) | Crystal structure of a human afucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana) | 分子名称: | Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Tolbert, W.D, Pazgier, M. | 登録日 | 2020-02-12 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells. J.Virol., 95, 2021
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5TYS
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![BU of 5tys by Molmil](/molmil-images/mine/5tys) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-142 | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Protease | 著者 | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | 登録日 | 2016-11-21 | 公開日 | 2017-10-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | 主引用文献 | A novel central nervous system-penetrating protease inhibitor overcomes human immunodeficiency virus 1 resistance with unprecedented aM to pM potency. Elife, 6, 2017
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6VXG
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![BU of 6vxg by Molmil](/molmil-images/mine/6vxg) | Structure of the C-terminal Domain of RAGE and Its Inhibitor | 分子名称: | Advanced glycosylation end product-specific receptor, N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide | 著者 | Ramirez, L, Shekhtman, A. | 登録日 | 2020-02-21 | 公開日 | 2021-02-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Small-molecule antagonism of the interaction of the RAGE cytoplasmic domain with DIAPH1 reduces diabetic complications in mice. Sci Transl Med, 13, 2021
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4JC3
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5TZY
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![BU of 5tzy by Molmil](/molmil-images/mine/5tzy) | GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ... | 著者 | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | 登録日 | 2016-11-22 | 公開日 | 2017-06-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40. Nat. Struct. Mol. Biol., 24, 2017
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5F92
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![BU of 5f92 by Molmil](/molmil-images/mine/5f92) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate | 分子名称: | CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ... | 著者 | Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J. | 登録日 | 2015-12-09 | 公開日 | 2016-06-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.859 Å) | 主引用文献 | Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site. Proc.Natl.Acad.Sci.USA, 113, 2016
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7UAD
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![BU of 7uad by Molmil](/molmil-images/mine/7uad) | Crystal structure of human PTPN2 with inhibitor ABBV-CLS-484 | 分子名称: | 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Tyrosine-protein phosphatase non-receptor type 2 | 著者 | Longenecker, K.L, Qiu, W, Sun, Q, Frost, J.M. | 登録日 | 2022-03-12 | 公開日 | 2023-07-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.044 Å) | 主引用文献 | The PTPN2/PTPN1 inhibitor ABBV-CLS-484 unleashes potent anti-tumour immunity. Nature, 622, 2023
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5FVY
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![BU of 5fvy by Molmil](/molmil-images/mine/5fvy) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl) ethyl)pyridin-2-amine | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2016-02-10 | 公開日 | 2016-04-20 | 最終更新日 | 2016-06-08 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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5U1B
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6W29
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![BU of 6w29 by Molmil](/molmil-images/mine/6w29) | Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC013) | 分子名称: | 3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, ... | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-05 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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6W2N
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![BU of 6w2n by Molmil](/molmil-images/mine/6w2n) | Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC009) | 分子名称: | 3,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, ... | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-06 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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5YVN
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![BU of 5yvn by Molmil](/molmil-images/mine/5yvn) | Human Glutathione Transferase Omega1 | 分子名称: | ACETATE ION, GLUTATHIONE, Glutathione S-transferase omega-1, ... | 著者 | Saisawang, C, Ketterman, A, Wongsantichon, J. | 登録日 | 2017-11-27 | 公開日 | 2018-11-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Glutathione transferase Omega 1-1 (GSTO1-1) modulates Akt and MEK1/2 signaling in human neuroblastoma cell SH-SY5Y. Proteins, 87, 2019
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7TD2
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![BU of 7td2 by Molmil](/molmil-images/mine/7td2) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | 分子名称: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | 登録日 | 2021-12-30 | 公開日 | 2022-02-09 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (3.11 Å) | 主引用文献 | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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7TD3
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![BU of 7td3 by Molmil](/molmil-images/mine/7td3) | Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | 登録日 | 2021-12-30 | 公開日 | 2022-02-09 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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6W59
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![BU of 6w59 by Molmil](/molmil-images/mine/6w59) | Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC063) | 分子名称: | 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-12 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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5FDV
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![BU of 5fdv by Molmil](/molmil-images/mine/5fdv) | Crystal structure of the Pyrrhocoricin antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | 登録日 | 2015-12-16 | 公開日 | 2016-01-27 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome. Nucleic Acids Res., 44, 2016
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7TD1
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![BU of 7td1 by Molmil](/molmil-images/mine/7td1) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | 分子名称: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | 登録日 | 2021-12-30 | 公開日 | 2022-02-09 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | 主引用文献 | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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