3R2W
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8XQ9
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8XPQ
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8XQA
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8XQ4
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8XQ7
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8XQ8
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3E5M
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![BU of 3e5m by Molmil](/molmil-images/mine/3e5m) | Crystal structure of the HSCARG Y81A mutant | 分子名称: | NmrA-like family domain-containing protein 1 | 著者 | Li, Y, Meng, G, Dai, X, Luo, M, Zheng, X. | 登録日 | 2008-08-14 | 公開日 | 2009-05-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | NADPH is an allosteric regulator of HSCARG J.Mol.Biol., 387, 2009
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7ONS
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![BU of 7ons by Molmil](/molmil-images/mine/7ons) | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | 分子名称: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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7ONT
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![BU of 7ont by Molmil](/molmil-images/mine/7ont) | PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22) | 分子名称: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.853 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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7ONR
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![BU of 7onr by Molmil](/molmil-images/mine/7onr) | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | 分子名称: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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1WWN
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![BU of 1wwn by Molmil](/molmil-images/mine/1wwn) | NMR Solution Structure of BmK-betaIT, an Excitatory Scorpion Toxin from Buthus martensi Karsch | 分子名称: | Excitatory insect selective toxin 1 | 著者 | Wu, H, Tong, X, Chen, X, Zhang, Q, Zheng, X, Zhang, N, Wu, G. | 登録日 | 2005-01-10 | 公開日 | 2006-01-17 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR solution structure of BmK-betaIT, an excitatory scorpion beta-toxin without a 'hot spot' at the relevant position Biochem.Biophys.Res.Commun., 349, 2006
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1YFZ
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![BU of 1yfz by Molmil](/molmil-images/mine/1yfz) | Novel IMP Binding in Feedback Inhibition of Hypoxanthine-Guanine Phosphoribosyltransferase from Thermoanaerobacter tengcongensis | 分子名称: | ACETATE ION, Hypoxanthine-guanine phosphoribosyltransferase, INOSINIC ACID, ... | 著者 | Chen, Q, Liang, Y, Su, X, Gu, X, Zheng, X, Luo, M. | 登録日 | 2005-01-04 | 公開日 | 2005-05-10 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Alternative IMP Binding in Feedback Inhibition of Hypoxanthine-Guanine Phosphoribosyltransferase from Thermoanaerobacter tengcongensis. J.Mol.Biol., 348, 2005
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4AY6
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![BU of 4ay6 by Molmil](/molmil-images/mine/4ay6) | Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ... | 著者 | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | 登録日 | 2012-06-18 | 公開日 | 2012-10-24 | 最終更新日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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4AY5
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![BU of 4ay5 by Molmil](/molmil-images/mine/4ay5) | Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ... | 著者 | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | 登録日 | 2012-06-18 | 公開日 | 2012-10-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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2XPK
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![BU of 2xpk by Molmil](/molmil-images/mine/2xpk) | Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases | 分子名称: | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE, O-GLCNACASE NAGJ | 著者 | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Zheng, X, Kime, R, Read, K.D, van Aalten, D.M.F. | 登録日 | 2010-08-26 | 公開日 | 2011-03-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Cell-Penetrant, Nanomolar O-Glcnacase Inhibitors Selective Against Lysosomal Hexosaminidases. Chem.Biol, 17, 2010
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3DXF
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![BU of 3dxf by Molmil](/molmil-images/mine/3dxf) | Crystal structure of the HSCARG R37A mutant | 分子名称: | NmrA-like family domain-containing protein 1 | 著者 | Li, Y, Meng, G, Dai, X, Luo, M, Zheng, X. | 登録日 | 2008-07-24 | 公開日 | 2009-05-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | NADPH is an allosteric regulator of HSCARG J.Mol.Biol., 387, 2009
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4YVV
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![BU of 4yvv by Molmil](/molmil-images/mine/4yvv) | Crystal structure of AKR1C3 complexed with glibenclamide | 分子名称: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | 登録日 | 2015-03-20 | 公開日 | 2015-11-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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4YVX
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![BU of 4yvx by Molmil](/molmil-images/mine/4yvx) | Crystal structure of AKR1C3 complexed with glimepiride | 分子名称: | 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | 登録日 | 2015-03-20 | 公開日 | 2015-11-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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2OZV
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![BU of 2ozv by Molmil](/molmil-images/mine/2ozv) | Crystal structure of a predicted O-methyltransferase, protein Atu636 from Agrobacterium tumefaciens. | 分子名称: | Hypothetical protein Atu0636 | 著者 | Cuff, M.E, Xu, X, Zheng, X, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2007-02-27 | 公開日 | 2007-03-27 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The structure of a predicted O-methyltransferase, protein Atu636 from Agrobacterium tumefaciens. TO BE PUBLISHED
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3KH8
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![BU of 3kh8 by Molmil](/molmil-images/mine/3kh8) | Crystal structure of MaoC-like dehydratase from Phytophthora Capsici | 分子名称: | MaoC-like dehydratase | 著者 | Wang, H, Zhang, K, Guo, J, Zhou, Q, Zheng, X, Sun, F, Pang, H, Zhang, X. | 登録日 | 2009-10-30 | 公開日 | 2010-11-10 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of MaoC-like dehydratase from Phytophthora Capsici To be Published
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1ON9
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![BU of 1on9 by Molmil](/molmil-images/mine/1on9) | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with hydrolyzed methylmalonyl-coenzyme a bound) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CADMIUM ION, METHYLMALONYL-COENZYME A, ... | 著者 | Hall, P.R, Wang, Y.-F, Rivera-Hainaj, R.E, Zheng, X, Pustai-Carey, M, Carey, P.R, Yee, V.C. | 登録日 | 2003-02-27 | 公開日 | 2003-05-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core Embo J., 22, 2003
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1ON3
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![BU of 1on3 by Molmil](/molmil-images/mine/1on3) | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with methylmalonyl-coenzyme a and methylmalonic acid bound) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CADMIUM ION, METHYLMALONIC ACID, ... | 著者 | Hall, P.R, Wang, Y.-F, Rivera-Hainaj, R.E, Zheng, X, Pustai-Carey, M, Carey, P.R, Yee, V.C. | 登録日 | 2003-02-26 | 公開日 | 2003-05-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core Embo J., 22, 2003
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5WQA
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![BU of 5wqa by Molmil](/molmil-images/mine/5wqa) | Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K | 分子名称: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde, MAGNESIUM ION, ZINC ION, ... | 著者 | Huang, Y, Zhang, T, Zheng, X, Yin, S, Luo, H.B. | 登録日 | 2016-11-24 | 公開日 | 2017-02-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginella pulvinata Biochem. Pharmacol., 130, 2017
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5JZV
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![BU of 5jzv by Molmil](/molmil-images/mine/5jzv) | The structure of D77G hCINAP-ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase isoenzyme 6 | 著者 | Liu, Y, Yang, Z, Yang, Y, Cai, X, Zheng, X. | 登録日 | 2016-05-17 | 公開日 | 2016-08-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | The ATPase hCINAP regulates 18S rRNA processing and is essential for embryogenesis and tumour growth. Nat Commun, 7, 2016
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