7DBD
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![BU of 7dbd by Molmil](/molmil-images/mine/7dbd) | 444 in complex with tubulin | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wu, C.Y, Wang, Y.X. | 登録日 | 2020-10-19 | 公開日 | 2021-10-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.094 Å) | 主引用文献 | 444 in complex with tubulin To Be Published
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6KSR
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6KVK
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![BU of 6kvk by Molmil](/molmil-images/mine/6kvk) | Crystal structure of UDP-Sm-SrUGT76G1 | 分子名称: | Steviolmonoside, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | 著者 | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | 登録日 | 2019-09-04 | 公開日 | 2019-11-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.397 Å) | 主引用文献 | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1. Plant Commun., 1, 2020
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2POG
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![BU of 2pog by Molmil](/molmil-images/mine/2pog) | Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold. | 分子名称: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor | 著者 | Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A. | 登録日 | 2007-04-26 | 公開日 | 2007-09-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold. Bioorg.Med.Chem.Lett., 17, 2007
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2IS3
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2QDV
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![BU of 2qdv by Molmil](/molmil-images/mine/2qdv) | Structure of the Cu(II) form of the M51A mutant of amicyanin | 分子名称: | Amicyanin, COPPER (II) ION, PHOSPHATE ION | 著者 | Carrell, C.J, Ma, J.K, Wang, Y, Davidson, V.L, Mathews, F.S. | 登録日 | 2007-06-21 | 公開日 | 2007-12-11 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (0.89 Å) | 主引用文献 | A single methionine residue dictates the kinetic mechanism of interprotein electron transfer from methylamine dehydrogenase to amicyanin. Biochemistry, 46, 2007
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2QE4
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![BU of 2qe4 by Molmil](/molmil-images/mine/2qe4) | Estrogen receptor alpha 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 | 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.Q, Reilly, J.E, Ryter, K.T. | 登録日 | 2007-06-22 | 公開日 | 2007-09-04 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 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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4EKU
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7CTV
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7CTX
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7XZ4
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6LSN
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![BU of 6lsn by Molmil](/molmil-images/mine/6lsn) | Crystal structure of tubulin-inhibitor complex | 分子名称: | 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Gang, L, Wang, Y.X, Cheng, J.J. | 登録日 | 2020-01-17 | 公開日 | 2021-01-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.445 Å) | 主引用文献 | Design, Synthesis, and Bioevaluation of Pyrazolo[1,5-a]Pyrimidine Derivatives as Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site with Potent Anticancer Activities To Be Published
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2P01
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![BU of 2p01 by Molmil](/molmil-images/mine/2p01) | The structure of receptor-associated protein(RAP) | 分子名称: | Alpha-2-macroglobulin receptor-associated protein | 著者 | Lee, D, Walsh, J.D, Migliorini, M, Yu, P, Cai, T, Schwieters, C.D, Krueger, S, Strickland, D.K, Wang, Y.X. | 登録日 | 2007-02-28 | 公開日 | 2007-08-21 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The structure of receptor-associated protein (RAP). Protein Sci., 16, 2007
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6LSM
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![BU of 6lsm by Molmil](/molmil-images/mine/6lsm) | Tubulin Polymerization Inhibitors | 分子名称: | 2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Gang, L, Wang, Y.X, Chen, J.J. | 登録日 | 2020-01-17 | 公開日 | 2021-01-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.751 Å) | 主引用文献 | Design, Synthesis, and Bioevaluation of Pyrazolo[1,5-a]Pyrimidine Derivatives as Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site with Potent Anticancer Activities To Be Published
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3PP8
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![BU of 3pp8 by Molmil](/molmil-images/mine/3pp8) | 2.1 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium | 分子名称: | Glyoxylate/hydroxypyruvate reductase A | 著者 | Minasov, G, Wawrzak, Z, Skarina, T, Wang, Y, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2010-11-24 | 公開日 | 2010-12-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 2.1 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium. TO BE PUBLISHED
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4HEG
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![BU of 4heg by Molmil](/molmil-images/mine/4heg) | Crystal Structure of HIV-1 protease mutants R8Q complexed with inhibitor GRL-0519 | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease | 著者 | Zhang, H, Wang, Y.-F, Weber, I.T. | 登録日 | 2012-10-03 | 公開日 | 2013-08-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56, 2013
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1PVZ
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![BU of 1pvz by Molmil](/molmil-images/mine/1pvz) | Solution Structure of BmP07, A Novel Potassium Channel Blocker from Scorpion Buthus martensi Karsch, 15 structures | 分子名称: | K+ toxin-like peptide | 著者 | Wu, H, Zhang, N, Wang, Y, Zhang, Q, Ou, L, Li, M, Hu, G. | 登録日 | 2003-06-29 | 公開日 | 2004-05-18 | 最終更新日 | 2018-06-20 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of BmKK2, a new potassium channel blocker from the venom of chinese scorpion Buthus martensi Karsch PROTEINS, 55, 2004
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4HDB
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![BU of 4hdb by Molmil](/molmil-images/mine/4hdb) | Crystal Structure of HIV-1 protease mutants D30N complexed with inhibitor GRL-0519 | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ... | 著者 | Zhang, H, Wang, Y.-F, Shen, C.H, Agniswamy, J, Weber, I.T. | 登録日 | 2012-10-02 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56, 2013
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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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6KL5
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![BU of 6kl5 by Molmil](/molmil-images/mine/6kl5) | Structure of The N-terminal domain of Middle East respiratory syndrome coronavirus Nucleocapsid Protein complexed with Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate | 分子名称: | (phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate, Nucleoprotein | 著者 | Hou, M.H, Lin, S.M, Hsu, J.N, Wang, Y.S. | 登録日 | 2019-07-29 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | Structure-Based Stabilization of Non-native Protein-Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design. J.Med.Chem., 63, 2020
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2NNP
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![BU of 2nnp by Molmil](/molmil-images/mine/2nnp) | Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, GLYCEROL, ... | 著者 | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | 登録日 | 2006-10-24 | 公開日 | 2007-03-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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2NMZ
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![BU of 2nmz by Molmil](/molmil-images/mine/2nmz) | Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEASE, SULFATE ION | 著者 | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | 登録日 | 2006-10-23 | 公開日 | 2007-03-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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2NNK
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![BU of 2nnk by Molmil](/molmil-images/mine/2nnk) | Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, CHLORIDE ION, ... | 著者 | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | 登録日 | 2006-10-24 | 公開日 | 2007-03-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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2QTU
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![BU of 2qtu by Molmil](/molmil-images/mine/2qtu) | Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand | 分子名称: | (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol, Estrogen receptor beta | 著者 | Richardson, T.I, Dodge, J.A, Wang, Y, Durbin, J.D, Krishnan, V, Norman, B.H. | 登録日 | 2007-08-02 | 公開日 | 2007-10-30 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies. Bioorg.Med.Chem.Lett., 17, 2007
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2NMY
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![BU of 2nmy by Molmil](/molmil-images/mine/2nmy) | Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, PROTEASE, ... | 著者 | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | 登録日 | 2006-10-23 | 公開日 | 2007-03-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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