7LZT
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![BU of 7lzt by Molmil](/molmil-images/mine/7lzt) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8b | 分子名称: | (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. | 登録日 | 2021-03-10 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
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7LZX
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![BU of 7lzx by Molmil](/molmil-images/mine/7lzx) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 1c | 分子名称: | (1R,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. | 登録日 | 2021-03-10 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
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7LZU
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![BU of 7lzu by Molmil](/molmil-images/mine/7lzu) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 12b | 分子名称: | (1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. | 登録日 | 2021-03-10 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
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7M04
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![BU of 7m04 by Molmil](/molmil-images/mine/7m04) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 21c | 分子名称: | (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. | 登録日 | 2021-03-10 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
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6BOM
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6BVS
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![BU of 6bvs by Molmil](/molmil-images/mine/6bvs) | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus metallidurans in complex with 4-Cl-3-HAA | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ... | 著者 | Yang, Y, Liu, F, Liu, A. | 登録日 | 2017-12-13 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.318 Å) | 主引用文献 | Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities. J. Biol. Chem., 293, 2018
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5HAN
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![BU of 5han by Molmil](/molmil-images/mine/5han) | Structure function studies of R. palustris RubisCO (S59F mutant; CABP-bound) | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | 著者 | Arbing, M.A, Leong, J.G, Varaljay, V.A, Satagopan, S, North, J.A, Tabita, F.R. | 登録日 | 2015-12-30 | 公開日 | 2017-01-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Structure function studies of R. palustris RubisCO To Be Published
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6D61
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![BU of 6d61 by Molmil](/molmil-images/mine/6d61) | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans in complex with 4-Cl-3-HAA | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ... | 著者 | Yang, Y, Liu, F, Liu, A. | 登録日 | 2018-04-19 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities. J. Biol. Chem., 293, 2018
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4OJ9
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![BU of 4oj9 by Molmil](/molmil-images/mine/4oj9) | Crystal structure of T877A-AR-LBD bound with co-regulator peptide | 分子名称: | Androgen receptor, GLYCEROL, HYDROXYFLUTAMIDE, ... | 著者 | Liu, J.S, Hsu, C.L, Wu, W.G. | 登録日 | 2014-01-20 | 公開日 | 2014-08-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | 主引用文献 | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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3NA6
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2QM2
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![BU of 2qm2 by Molmil](/molmil-images/mine/2qm2) | Putative HopJ type III effector protein from Vibrio parahaemolyticus | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, POTASSIUM ION, ... | 著者 | Kim, Y, Chang, C, Volkart, L, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2007-07-13 | 公開日 | 2007-07-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Crystal Structure of Putative HopJ type III Effector Protein from Vibrio parahaemolyticus. To be Published
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4L7Z
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![BU of 4l7z by Molmil](/molmil-images/mine/4l7z) | Crystal Structure of Chloroflexus aurantiacus malyl-CoA lyase | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase | 著者 | Zarzycki, J, Kerfeld, C.A. | 登録日 | 2013-06-14 | 公開日 | 2013-12-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | The crystal structures of the tri-functional Chloroflexus aurantiacus and bi-functional Rhodobacter sphaeroides malyl-CoA lyases and comparison with CitE-like superfamily enzymes and malate synthases. Bmc Struct.Biol., 13, 2013
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6LFR
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![BU of 6lfr by Molmil](/molmil-images/mine/6lfr) | Poa1p in complex with ADP-ribose | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase | 著者 | Chiu, Y.C, Hsu, C.H. | 登録日 | 2019-12-03 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose Acs Catalysis, 11, 2021
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1OVZ
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![BU of 1ovz by Molmil](/molmil-images/mine/1ovz) | Crystal structure of human FcaRI | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 | Herr, A.B, Ballister, E.R, Bjorkman, P.J. | 登録日 | 2003-03-27 | 公開日 | 2003-05-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Insights into IgA-mediated immune responses from the crystal structures of human Fc-alpha-RI and its complex with IgA1-Fc Nature, 423, 2003
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8GOA
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![BU of 8goa by Molmil](/molmil-images/mine/8goa) | Crystal Structure of Glycerol Dehydrogenase in the absence of NAD+ | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycerol dehydrogenase, ZINC ION | 著者 | Park, T, Hoang, H.N, Kang, J.Y, Park, J, Mun, S.A, Jin, M, Yang, J, Jung, C.-H, Eom, S.H. | 登録日 | 2022-08-24 | 公開日 | 2023-06-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural and functional insights into the flexible beta-hairpin of glycerol dehydrogenase. Febs J., 290, 2023
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3A1R
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7KQR
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![BU of 7kqr by Molmil](/molmil-images/mine/7kqr) | A 1.89-A resolution substrate-bound crystal structure of heme-dependent tyrosine hydroxylase from S. sclerotialus | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heme-dependent L-tyrosine hydroxylase, ... | 著者 | Wang, Y, Shin, I, Liu, A. | 登録日 | 2020-11-17 | 公開日 | 2021-03-31 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. J.Am.Chem.Soc., 143, 2021
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7KQS
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![BU of 7kqs by Molmil](/molmil-images/mine/7kqs) | A 1.68-A resolution 3-fluoro-L-tyrosine bound crystal structure of heme-dependent tyrosine hydroxylase | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ... | 著者 | Wang, Y, Liu, A. | 登録日 | 2020-11-17 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.677 Å) | 主引用文献 | Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. J.Am.Chem.Soc., 143, 2021
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7KQU
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![BU of 7kqu by Molmil](/molmil-images/mine/7kqu) | A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ... | 著者 | Wang, Y, Davis, I, Liu, A. | 登録日 | 2020-11-17 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.579 Å) | 主引用文献 | Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. J.Am.Chem.Soc., 143, 2021
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1FDK
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![BU of 1fdk by Molmil](/molmil-images/mine/1fdk) | CARBOXYLIC ESTER HYDROLASE (PLA2-MJ33 INHIBITOR COMPLEX) | 分子名称: | 1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL, CALCIUM ION, PHOSPHOLIPASE A2 | 著者 | Sundaralingam, M. | 登録日 | 1997-09-04 | 公開日 | 1998-10-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Crystal structure of the complex of bovine pancreatic phospholipase A2 with the inhibitor 1-hexadecyl-3-(trifluoroethyl)-sn-glycero-2-phosphomethanol,. Biochemistry, 36, 1997
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3A2L
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![BU of 3a2l by Molmil](/molmil-images/mine/3a2l) | Crystal structure of DBJA (mutant dbja delta) | 分子名称: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | 著者 | Sato, Y, Senda, T. | 登録日 | 2009-05-23 | 公開日 | 2010-05-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering Angew.Chem.Int.Ed.Engl., 49, 2010
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4IRQ
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![BU of 4irq by Molmil](/molmil-images/mine/4irq) | Crystal structure of catalytic domain of human beta1,4galactosyltransferase 7 in closed conformation in complex with manganese and UDP | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-1,4-galactosyltransferase 7, MANGANESE (II) ION, ... | 著者 | Tsutsui, Y, Ramakrishnan, B, Qasba, P.K. | 登録日 | 2013-01-15 | 公開日 | 2013-09-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of beta-1,4-galactosyltransferase 7 enzyme reveal conformational changes and substrate binding. J.Biol.Chem., 288, 2013
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7R9C
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![BU of 7r9c by Molmil](/molmil-images/mine/7r9c) | Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | 著者 | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | 登録日 | 2021-06-29 | 公開日 | 2022-01-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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6JYR
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4O2A
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![BU of 4o2a by Molmil](/molmil-images/mine/4o2a) | Tubulin-BAL27862 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O. | 登録日 | 2013-12-17 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization. J.Mol.Biol., 426, 2014
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