5JNV
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![BU of 5jnv by Molmil](/molmil-images/mine/5jnv) | Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with HEPES | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Low molecular weight phosphotyrosine protein phosphatase | 著者 | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | 登録日 | 2016-04-30 | 公開日 | 2017-03-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase. Nat. Chem. Biol., 13, 2017
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5JNW
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![BU of 5jnw by Molmil](/molmil-images/mine/5jnw) | Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with vanadate and uncompetitive inhibitor | 分子名称: | 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile, Low molecular weight phosphotyrosine protein phosphatase, VANADATE ION | 著者 | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | 登録日 | 2016-04-30 | 公開日 | 2017-03-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase. Nat. Chem. Biol., 13, 2017
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5JNU
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![BU of 5jnu by Molmil](/molmil-images/mine/5jnu) | Crystal structure of mouse Low-Molecular Weight Protein Tyrosine Phosphatase type A (LMPTP-A) complexed with phosphate | 分子名称: | Low molecular weight phosphotyrosine protein phosphatase, PHOSPHATE ION | 著者 | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | 登録日 | 2016-04-30 | 公開日 | 2017-03-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.535 Å) | 主引用文献 | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase. Nat. Chem. Biol., 13, 2017
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5JNT
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![BU of 5jnt by Molmil](/molmil-images/mine/5jnt) | Crystal structure of human low molecular weight protein tyrosine phosphatase (LMPTP) type A complexed with MES | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | 登録日 | 2016-04-30 | 公開日 | 2017-03-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase. Nat. Chem. Biol., 13, 2017
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5JNR
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![BU of 5jnr by Molmil](/molmil-images/mine/5jnr) | Crystal structure of human low molecular weight protein tyrosine phosphatase (LMPTP) type A | 分子名称: | Low molecular weight phosphotyrosine protein phosphatase | 著者 | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | 登録日 | 2016-04-30 | 公開日 | 2017-03-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase. Nat. Chem. Biol., 13, 2017
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5JAI
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![BU of 5jai by Molmil](/molmil-images/mine/5jai) | Yersinia pestis FabV variant T276G | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | 登録日 | 2016-04-12 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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5JAM
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![BU of 5jam by Molmil](/molmil-images/mine/5jam) | Yersinia pestis FabV variant T276V | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | 登録日 | 2016-04-12 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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5JAQ
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![BU of 5jaq by Molmil](/molmil-images/mine/5jaq) | Yersinia pestis FabV variant T276C | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | 登録日 | 2016-04-12 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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4BNE
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![BU of 4bne by Molmil](/molmil-images/mine/4bne) | Pacsin2 Interacts with Membranes and Actin-Filaments | 分子名称: | PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 2, SULFATE ION, TRIETHYLENE GLYCOL | 著者 | Kostan, J, Salzer, U, Orlova, A, Toeroe, I, Hodnik, V, Schreiner, C, Merilainen, J, Nikki, M, Virtanen, I, Lehto, V.-P, Anderluh, G, Egelman, E.H, Djinovic-Carugo, K. | 登録日 | 2013-05-15 | 公開日 | 2014-05-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Direct Interaction of Actin Filaments with F-Bar Protein Pacsin2. Embo Rep., 15, 2014
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6AR4
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![BU of 6ar4 by Molmil](/molmil-images/mine/6ar4) | |
8UF5
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![BU of 8uf5 by Molmil](/molmil-images/mine/8uf5) | Catalytic domain of GtfB in complex with inhibitor G43 | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | 著者 | Schormann, N, Deivanayagam, C, Velu, S. | 登録日 | 2023-10-03 | 公開日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence. Sci Rep, 7, 2017
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7END
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![BU of 7end by Molmil](/molmil-images/mine/7end) | |
7EN9
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![BU of 7en9 by Molmil](/molmil-images/mine/7en9) | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02 | 分子名称: | 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide | 著者 | Hou, N, Peng, C, Hu, Q. | 登録日 | 2021-04-16 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro. Acs Cent.Sci., 9, 2023
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7EN8
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![BU of 7en8 by Molmil](/molmil-images/mine/7en8) | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04 | 分子名称: | 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide | 著者 | Hou, N, Peng, C, Hu, Q. | 登録日 | 2021-04-16 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro. Acs Cent.Sci., 9, 2023
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7ENE
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4BKQ
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![BU of 4bkq by Molmil](/molmil-images/mine/4bkq) | Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519 | 著者 | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | 登録日 | 2013-04-29 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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7FEE
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![BU of 7fee by Molmil](/molmil-images/mine/7fee) | Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | 著者 | Wang, X, Zhao, C, Shao, Z. | 登録日 | 2021-07-19 | 公開日 | 2022-06-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
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8K4F
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![BU of 8k4f by Molmil](/molmil-images/mine/8k4f) | DHODH in complex with compound A0 | 分子名称: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | 著者 | Jian, L, Sun, Q. | 登録日 | 2023-07-18 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
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4BKR
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![BU of 4bkr by Molmil](/molmil-images/mine/4bkr) | Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | 登録日 | 2013-04-29 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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7WPH
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![BU of 7wph by Molmil](/molmil-images/mine/7wph) | SARS-CoV2 RBD bound to Fab06 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ... | 著者 | Lin, J.Q, El Sahili, A, Lescar, J. | 登録日 | 2022-01-23 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth. Nat Commun, 13, 2022
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7WPV
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![BU of 7wpv by Molmil](/molmil-images/mine/7wpv) | |
3OHI
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![BU of 3ohi by Molmil](/molmil-images/mine/3ohi) | Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone | 分子名称: | ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION | 著者 | Herzberg, O, Galkin, A. | 登録日 | 2010-08-17 | 公開日 | 2011-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase. J.Inorg.Biochem., 105, 2010
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7XXL
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![BU of 7xxl by Molmil](/molmil-images/mine/7xxl) | RBD in complex with Fab14 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ... | 著者 | Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J. | 登録日 | 2022-05-30 | 公開日 | 2022-09-14 | 最終更新日 | 2022-10-05 | 実験手法 | ELECTRON MICROSCOPY (7.3 Å) | 主引用文献 | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth. Nat Commun, 13, 2022
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7WV9
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![BU of 7wv9 by Molmil](/molmil-images/mine/7wv9) | Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein | 分子名称: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ... | 著者 | Xu, Z, Shao, Z. | 登録日 | 2022-02-10 | 公開日 | 2022-06-15 | 最終更新日 | 2024-04-03 | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | 主引用文献 | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
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7WZ5
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![BU of 7wz5 by Molmil](/molmil-images/mine/7wz5) | Larimichthys crocea IFNi | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon C | 著者 | Chen, J.J. | 登録日 | 2022-02-17 | 公開日 | 2023-02-08 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Molecular and Structural Basis of Receptor Binding and Signaling of a Fish Type I IFN with Three Disulfide Bonds. J Immunol., 209, 2022
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