8IR2
 
 | | Crystal structure of the SLF1 BRCT domain in complex with a Rad18 peptide containing pS442 and pS444 | | 分子名称: | CHLORIDE ION, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | | 著者 | Xiang, S, Huang, W, Qiu, F. | | 登録日 | 2023-03-17 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural insights into Rad18 targeting by the SLF1 BRCT domains.
J.Biol.Chem., 299, 2023
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8IR4
 | | Crystal structure of the SLF1 BRCT domain in complex with a Rad18 peptide containing pS442 | | 分子名称: | CHLORIDE ION, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | | 著者 | Xiang, S, Huang, W, Qiu, F. | | 登録日 | 2023-03-17 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structural insights into Rad18 targeting by the SLF1 BRCT domains.
J.Biol.Chem., 299, 2023
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3HPT
 | | Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | | 分子名称: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | | 登録日 | 2009-06-04 | | 公開日 | 2009-11-17 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3K9X
 | | X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE | | 分子名称: | CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... | | 著者 | Klei, H.E, Kish, K, Ghosh, K, Rushith, A. | | 登録日 | 2009-10-16 | | 公開日 | 2009-12-15 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
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5YLF
 | | MCR-1 complex with D-glucose | | 分子名称: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, beta-D-glucopyranose | | 著者 | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | 登録日 | 2017-10-17 | | 公開日 | 2017-11-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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5YLC
 | | Crystal Structure of MCR-1 Catalytic Domain | | 分子名称: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | 著者 | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | 登録日 | 2017-10-17 | | 公開日 | 2017-11-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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5YLE
 | | MCR-1 complex with ethanolamine (ETA) | | 分子名称: | ETHANOLAMINE, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | 著者 | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | 登録日 | 2017-10-17 | | 公開日 | 2017-11-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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5GSA
 | | EED in complex with an allosteric PRC2 inhibitor | | 分子名称: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | 登録日 | 2016-08-15 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
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5UGC
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | | 著者 | Gajiwala, K.S, Ferre, R.A. | | 登録日 | 2017-01-08 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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5UG8
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | | 分子名称: | Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ... | | 著者 | Gajiwala, K.S, Ferre, R.A. | | 登録日 | 2017-01-07 | | 公開日 | 2017-03-22 | | 最終更新日 | 2017-04-26 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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5UG9
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | | 著者 | Gajiwala, K.S, Ferre, R.A. | | 登録日 | 2017-01-07 | | 公開日 | 2017-03-22 | | 最終更新日 | 2018-10-10 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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5UGA
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | | 分子名称: | 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ... | | 著者 | Gajiwala, K.S, Ferre, R.A. | | 登録日 | 2017-01-07 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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5UGB
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5E6X
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5E6W
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5E6V
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5GSN
 | | Tmm in complex with methimazole | | 分子名称: | 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, ... | | 著者 | Zhang, Y.Z, Li, C.Y. | | 登録日 | 2016-08-16 | | 公開日 | 2017-01-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | | 主引用文献 | Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
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5IPY
 | | Crystal structure of WT RnTmm | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Li, C.Y, Zhang, Y.Z. | | 登録日 | 2016-03-10 | | 公開日 | 2017-01-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
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5IQ4
 | | Crystal structure of RnTmm mutant Y207S soaking | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhang, Y.Z, Li, C.Y. | | 登録日 | 2016-03-10 | | 公開日 | 2017-01-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
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4MC5
 | | Crystal structure of a subtype H18 hemagglutinin homologue from A/flat-faced bat/Peru/033/2010 (H18N11) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | 著者 | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J. | | 登録日 | 2013-08-21 | | 公開日 | 2013-10-23 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.238 Å) | | 主引用文献 | New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
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4MC7
 | | Crystal structure of a subtype N11 neuraminidase-like protein of A/flat-faced bat/Peru/033/2010 (H18N11) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE | | 著者 | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J. | | 登録日 | 2013-08-21 | | 公開日 | 2013-10-23 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
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4K3X
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4K3Y
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7V44
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with meta-chlorotoluene. | | 分子名称: | 1-chloranyl-2-methyl-benzene, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2021-08-12 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V45
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-bromotoluene. | | 分子名称: | 1-bromanyl-4-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2021-08-12 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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