8GSZ
 
 | | Structure of STING SAVI-related mutant V147L | | 分子名称: | Stimulator of interferon genes protein | | 著者 | Wang, Z, Yu, X. | | 登録日 | 2022-09-07 | | 公開日 | 2022-12-28 | | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | | 主引用文献 | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
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2ZD1
 | | Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ... | | 著者 | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | | 登録日 | 2007-11-16 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3BGR
 | | Crystal structure of K103N/Y181C mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (Rilpivirine), a non-nucleoside RT inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ... | | 著者 | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | | 登録日 | 2007-11-27 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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6JRK
 | | The structure of co-crystals of 8r-B-EGFR WT complex | | 分子名称: | 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor | | 著者 | Zhu, S.J, Yun, C.H. | | 登録日 | 2019-04-04 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.796 Å) | | 主引用文献 | Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
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6JRJ
 | | The structure of co-crystals of 8r-B-EGFR T790M/C797S complex | | 分子名称: | 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor | | 著者 | Zhu, S.J, Yun, C.H. | | 登録日 | 2019-04-04 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.943 Å) | | 主引用文献 | Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
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5O2E
 | | Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement | | 分子名称: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | 登録日 | 2017-05-20 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-02-22 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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5O2F
 | | Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | 登録日 | 2017-05-20 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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5JDK
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6KMS
 | | Crystal structure of human N6amt1-Trm112 in complex with SAM (space group I422) | | 分子名称: | Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYLMETHIONINE | | 著者 | Li, W.J, Shi, Y, Zhang, T.L, Ye, J, Ding, J.P. | | 登録日 | 2019-08-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2019-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural insight into human N6amt1-Trm112 complex functioning as a protein methyltransferase.
Cell Discov, 5, 2019
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6KMR
 | | Crystal structure of human N6amt1-Trm112 in complex with SAM (space group P6122) | | 分子名称: | 1,2-ETHANEDIOL, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, ... | | 著者 | Li, W.J, Shi, Y, Zhang, T.L, Ye, J, Ding, J.P. | | 登録日 | 2019-08-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural insight into human N6amt1-Trm112 complex functioning as a protein methyltransferase.
Cell Discov, 5, 2019
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3DOO
 | | Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis complexed with shikimate | | 分子名称: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase | | 著者 | Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H. | | 登録日 | 2008-07-05 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
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3DON
 | | Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis | | 分子名称: | GLYCEROL, Shikimate dehydrogenase | | 著者 | Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H. | | 登録日 | 2008-07-05 | | 公開日 | 2009-05-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
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3ED0
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with emodin | | 分子名称: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, BENZAMIDINE, ... | | 著者 | Zhang, L, Zhang, H, Liu, W, Guo, Y, Shen, X, Jiang, H. | | 登録日 | 2008-09-02 | | 公開日 | 2009-07-21 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Emodin targets the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization
BMC MICROBIOL., 9, 2009
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2IRW
 | | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor | | 分子名称: | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Longenecker, K.L, Patel, J.R, Russell, J, Qin, W. | | 登録日 | 2006-10-16 | | 公開日 | 2007-01-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007
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3CF9
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with apigenin | | 分子名称: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, BENZAMIDINE, ... | | 著者 | Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H. | | 登録日 | 2008-03-03 | | 公開日 | 2008-12-09 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
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3D04
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with sakuranetin | | 分子名称: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, ... | | 著者 | Zhang, L, Kong, Y, Wu, D, Shen, X, Jiang, H. | | 登録日 | 2008-05-01 | | 公開日 | 2008-12-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
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1XD5
 | | Crystal structures of novel monomeric monocot mannose-binding lectins from Gastrodia elata | | 分子名称: | SULFATE ION, antifungal protein GAFP-1 | | 著者 | Liu, W, Yang, N, Wang, M, Huang, R.H, Hu, Z, Wang, D.C. | | 登録日 | 2004-09-04 | | 公開日 | 2005-01-11 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Mechanism Governing the Quaternary Organization of Monocot Mannose-binding Lectin Revealed by the Novel Monomeric Structure of an Orchid Lectin
J.Biol.Chem., 280, 2005
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5HFJ
 | | crystal structure of M1.HpyAVI-SAM complex | | 分子名称: | Adenine specific DNA methyltransferase (DpnA), S-ADENOSYLMETHIONINE | | 著者 | Ma, B, Liu, W, Zhang, H. | | 登録日 | 2016-01-07 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori
Oncotarget, 7, 2016
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1XD6
 | | Crystal structures of novel monomeric monocot mannose-binding lectins from Gastrodia elata | | 分子名称: | SULFATE ION, gastrodianin-4 | | 著者 | Liu, W, Yang, N, Wang, M, Huang, R.H, Hu, Z, Wang, D.C. | | 登録日 | 2004-09-04 | | 公開日 | 2005-01-11 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Mechanism Governing the Quaternary Organization of Monocot Mannose-binding Lectin Revealed by the Novel Monomeric Structure of an Orchid Lectin
J.Biol.Chem., 280, 2005
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5HEK
 | | crystal structure of M1.HpyAVI | | 分子名称: | Adenine specific DNA methyltransferase (DpnA) | | 著者 | Ma, B, Zhang, H, Liu, W. | | 登録日 | 2016-01-06 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori
Oncotarget, 7, 2016
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4HHY
 | | Crystal structure of PARP catalytic domain in complex with novel inhibitors | | 分子名称: | (9aR)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one, DI(HYDROXYETHYL)ETHER, Poly [ADP-ribose] polymerase 1, ... | | 著者 | Liu, Q.F, Chen, T.T, Xu, Y.C. | | 登録日 | 2012-10-10 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3637 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
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4HHZ
 | | Crystal structure of PARP catalytic domain in complex with novel inhibitors | | 分子名称: | N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | 著者 | Liu, Q.F, Chen, T.T, Xu, Y.C. | | 登録日 | 2012-10-10 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7199 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
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4OV9
 | | Structure of isopropylmalate synthase binding with alpha-isopropylmalate | | 分子名称: | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid, ZINC ION, isopropylmalate synthase | | 著者 | Zhang, Z, Wu, J, Wang, C, Zhang, P. | | 登録日 | 2014-02-20 | | 公開日 | 2014-08-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014
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4OV4
 | | Isopropylmalate synthase binding with ketoisovalerate | | 分子名称: | 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, ZINC ION | | 著者 | Zhang, Z, Wu, J, Wang, C, Zhang, P. | | 登録日 | 2014-02-20 | | 公開日 | 2014-08-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014
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2PVP
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