8JDH
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3OXZ
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![BU of 3oxz by Molmil](/molmil-images/mine/3oxz) | Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534 | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1 | 著者 | Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X. | 登録日 | 2010-09-22 | 公開日 | 2010-12-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance. Chem.Biol.Drug Des., 77, 2011
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4EYR
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![BU of 4eyr by Molmil](/molmil-images/mine/4eyr) | Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir | 分子名称: | HIV-1 PROTEASE, RITONAVIR | 著者 | Liu, Z, Yedidi, R.S, Wang, Y, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | 登録日 | 2012-05-01 | 公開日 | 2013-01-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Insights into the mechanism of drug resistance: X-ray structure analysis of multi-drug resistant HIV-1 protease ritonavir complex. Biochem.Biophys.Res.Commun., 431, 2013
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3OU4
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![BU of 3ou4 by Molmil](/molmil-images/mine/3ou4) | MDR769 HIV-1 protease complexed with TF/PR hepta-peptide | 分子名称: | HIV-1 protease, TF/PR substrate peptide | 著者 | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | 登録日 | 2010-09-14 | 公開日 | 2011-03-30 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OU3
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![BU of 3ou3 by Molmil](/molmil-images/mine/3ou3) | MDR769 HIV-1 protease complexed with PR/RT hepta-peptide | 分子名称: | HIV-1 protease, PR/RT substrate peptide | 著者 | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | 登録日 | 2010-09-14 | 公開日 | 2011-03-30 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OUC
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![BU of 3ouc by Molmil](/molmil-images/mine/3ouc) | MDR769 HIV-1 protease complexed with p2/NC hepta-peptide | 分子名称: | MDR HIV-1 protease, p2/NC substrate peptide | 著者 | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | 登録日 | 2010-09-14 | 公開日 | 2011-03-30 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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4GYE
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![BU of 4gye by Molmil](/molmil-images/mine/4gye) | MDR 769 HIV-1 Protease in Complex with Reduced P1F | 分子名称: | P1F peptide, Protease | 著者 | Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C. | 登録日 | 2012-09-05 | 公開日 | 2013-10-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease. Bioorg.Med.Chem., 21, 2013
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5WQN
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5WQP
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![BU of 5wqp by Molmil](/molmil-images/mine/5wqp) | Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II) | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ... | 著者 | Li, S, Wang, Y, Bartlam, M. | 登録日 | 2016-11-27 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1. FEBS Lett., 591, 2017
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8IL3
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![BU of 8il3 by Molmil](/molmil-images/mine/8il3) | Cryo-EM structure of CD38 in complex with FTL004 | 分子名称: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain | 著者 | Yang, J, Wang, Y, Zhang, G. | 登録日 | 2023-03-01 | 公開日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (3.86 Å) | 主引用文献 | FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma. J Hematol Oncol, 15, 2022
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3OE7
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![BU of 3oe7 by Molmil](/molmil-images/mine/3oe7) | Structure of four mutant forms of yeast f1 ATPase: gamma-I270T | 分子名称: | ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ... | 著者 | Arsenieva, D, Symersky, J, Wang, Y, Pagadala, V, Mueller, D.M. | 登録日 | 2010-08-12 | 公開日 | 2010-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Crystal structures of mutant forms of the yeast f1 ATPase reveal two modes of uncoupling. J.Biol.Chem., 285, 2010
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3OAI
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![BU of 3oai by Molmil](/molmil-images/mine/3oai) | Crystal structure of the extra-cellular domain of human myelin protein zero | 分子名称: | Maltose-binding periplasmic protein, Myelin protein P0, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Sohi, J, Kamholz, J, Kovari, L.C. | 登録日 | 2010-08-05 | 公開日 | 2011-12-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of the extracellular domain of human myelin protein zero. Proteins, 80, 2012
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4EKU
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3OEE
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![BU of 3oee by Molmil](/molmil-images/mine/3oee) | Structure of four mutant forms of yeast F1 ATPase: alpha-F405S | 分子名称: | ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ... | 著者 | Arsenieva, D, Symersky, J, Wang, Y, Pagadala, V, Mueller, D.M. | 登録日 | 2010-08-12 | 公開日 | 2010-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Structure of four mutant forms of yeast F1 ATPase: alpha-F405S To be Published
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3OFN
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![BU of 3ofn by Molmil](/molmil-images/mine/3ofn) | Structure of four mutant forms of yeast F1 ATPase: alpha-N67I | 分子名称: | ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ... | 著者 | Arsenieva, D, Symersky, J, Wang, Y, Pagadala, V, Mueller, D.M. | 登録日 | 2010-08-15 | 公開日 | 2010-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal structures of mutant forms of the yeast f1 ATPase reveal two modes of uncoupling. J.Biol.Chem., 285, 2010
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4E6K
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![BU of 4e6k by Molmil](/molmil-images/mine/4e6k) | 2.0 A resolution structure of Pseudomonas aeruginosa bacterioferritin (BfrB) in complex with bacterioferritin associated ferredoxin (Bfd) | 分子名称: | Bacterioferritin, FE2/S2 (INORGANIC) CLUSTER, PHOSPHATE ION, ... | 著者 | Lovell, S, Battaile, K.P, Yao, H, Wang, Y, Kumar, R, Ruvinsky, A, Vasker, I, Rivera, M. | 登録日 | 2012-03-15 | 公開日 | 2012-08-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Structure of the BfrB-Bfd Complex Reveals Protein-Protein Interactions Enabling Iron Release from Bacterioferritin. J.Am.Chem.Soc., 134, 2012
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5WQO
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![BU of 5wqo by Molmil](/molmil-images/mine/5wqo) | Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I) | 分子名称: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable dehydrogenase, ... | 著者 | Li, S, Wang, Y, Bartlam, M. | 登録日 | 2016-11-27 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1. FEBS Lett., 591, 2017
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2F0X
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![BU of 2f0x by Molmil](/molmil-images/mine/2f0x) | Crystal structure and function of human thioesterase superfamily member 2(THEM2) | 分子名称: | SULFATE ION, Thioesterase superfamily member 2 | 著者 | Cheng, Z, Song, F, Shan, X, Wang, Y, Wei, Z, Gong, W. | 登録日 | 2005-11-14 | 公開日 | 2006-10-10 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of human thioesterase superfamily member 2 Biochem.Biophys.Res.Commun., 349, 2006
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5WQM
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4GZF
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![BU of 4gzf by Molmil](/molmil-images/mine/4gzf) | Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide | 分子名称: | LrF peptide, Protease | 著者 | Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C. | 登録日 | 2012-09-06 | 公開日 | 2013-10-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease. Bioorg.Med.Chem., 21, 2013
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3B96
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![BU of 3b96 by Molmil](/molmil-images/mine/3b96) | Structural Basis for Substrate Fatty-Acyl Chain Specificity: Crystal Structure of Human Very-Long-Chain Acyl-CoA Dehydrogenase | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, TETRADECANOYL-COA, Very long-chain specific acyl-CoA dehydrogenase | 著者 | McAndrew, R.P, Wang, Y, Mohsen, A.W, He, M, Vockley, J, Kim, J.J. | 登録日 | 2007-11-02 | 公開日 | 2008-02-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Structural basis for substrate fatty acyl chain specificity: crystal structure of human very-long-chain acyl-CoA dehydrogenase. J.Biol.Chem., 283, 2008
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3PR2
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![BU of 3pr2 by Molmil](/molmil-images/mine/3pr2) | Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site | 分子名称: | (Z)-N-[(1E)-1-carboxy-2-(2,3-dihydro-1H-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methanaminium, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ... | 著者 | Lai, J, Niks, D, Wang, Y, Domratcheva, T, Barends, T.R.M, Schwarz, F, Olsen, R.A, Elliott, D.W, Fatmi, M.Q, Chang, C.A, Schlichting, I, Dunn, M.F, Mueller, L.J. | 登録日 | 2010-11-29 | 公開日 | 2011-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | X-ray and NMR Crystallography in an Enzyme Active Site: The Indoline Quinonoid Intermediate in Tryptophan Synthase. J.Am.Chem.Soc., 133, 2011
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2JJ3
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![BU of 2jj3 by Molmil](/molmil-images/mine/2jj3) | Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist | 分子名称: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, ESTROGEN RECEPTOR BETA | 著者 | Norman, B.H, Richardson, T.I, Dodge, J.A, Pfeifer, L.A, Durst, G.L, Wang, Y, Durbin, J.D, Krishnan, V, Dinn, S.R, Liu, S, Reilly, J.E, Ryter, K.T. | 登録日 | 2007-07-03 | 公開日 | 2007-08-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Benzopyrans as Selective Estrogen Receptor Beta Agonists (Serbas). Part 4: Functionalization of the Benzopyran A-Ring. Bioorg.Med.Chem.Lett., 17, 2007
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7CAI
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![BU of 7cai by Molmil](/molmil-images/mine/7cai) | SARS-CoV-2 S trimer with two RBDs in the open state and complexed with two H014 Fab | 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, Heavy chain of H014 Fab, ... | 著者 | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X. | 登録日 | 2020-06-08 | 公開日 | 2020-09-23 | 最終更新日 | 2020-09-30 | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | 主引用文献 | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody. Science, 369, 2020
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7CAH
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![BU of 7cah by Molmil](/molmil-images/mine/7cah) | The interface of H014 Fab binds to SARS-CoV-2 S | 分子名称: | Heavy chain of H014 Fab, Light chain of H014 Fab, Spike protein S1 | 著者 | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Rao, Z, wang, Y, Qin, C, Wang, X. | 登録日 | 2020-06-08 | 公開日 | 2020-08-12 | 最終更新日 | 2021-03-10 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody. Science, 369, 2020
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