6ZX2
 
 | | OMPD-domain of human UMPS in complex with 6-carboxamido-UMP at 1.2 Angstroms resolution | | 分子名称: | PROLINE, SULFATE ION, Uridine 5'-monophosphate synthase, ... | | 著者 | Tittmann, K, Rindfleisch, S, Schimdt, T. | | 登録日 | 2020-07-29 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
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6ZX0
 | | OMPD-domain of human UMPS in complex with the substrate OMP at 1.25 Angstroms resolution | | 分子名称: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | | 著者 | Tittmann, K, Rindfleisch, S, Krull, M. | | 登録日 | 2020-07-29 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
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7JXQ
 | | EGFR kinase (T790M/V948R) in complex with allosteric inhibitor JBJ-09-063 | | 分子名称: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | | 著者 | Beyett, T.S, Eck, M.J. | | 登録日 | 2020-08-27 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | An allosteric inhibitor against the therapy-resistant mutant forms of EGFR in non-small cell lung cancer.
Nat Cancer, 3, 2022
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7JXH
 | | HER2 in complex with JBJ-08-178-01 | | 分子名称: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide, Receptor tyrosine-protein kinase erbB-2 | | 著者 | Beyett, T.S, Eck, M.J. | | 登録日 | 2020-08-27 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.27 Å) | | 主引用文献 | A Novel HER2-Selective Kinase Inhibitor Is Effective in HER2 Mutant and Amplified Non-Small Cell Lung Cancer.
Cancer Res., 82, 2022
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3IRW
 | | Structure of a c-di-GMP riboswitch from V. cholerae | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ... | | 著者 | Smith, K.D. | | 登録日 | 2009-08-24 | | 公開日 | 2009-11-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of ligand binding by a c-di-GMP riboswitch.
Nat.Struct.Mol.Biol., 16, 2009
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5X28
 | | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(6) | | 分子名称: | 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor | | 著者 | Yun, C.H. | | 登録日 | 2017-01-31 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.952 Å) | | 主引用文献 | Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
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5X2C
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5X2F
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8PH4
 | | Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ... | | 著者 | Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H. | | 登録日 | 2023-06-18 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
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2IMW
 | | Mechanism of Template-Independent Nucleotide Incorporation Catalyzed by a Template-Dependent DNA Polymerase | | 分子名称: | 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3', ... | | 著者 | Ling, H, Yang, W. | | 登録日 | 2006-10-05 | | 公開日 | 2007-01-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Mechanism of Template-independent Nucleotide Incorporation Catalyzed by a Template-dependent DNA Polymerase.
J.Mol.Biol., 365, 2007
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7ULI
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6AW2
 | | Crystal structure of the HopQ-CEACAM1 complex | | 分子名称: | Carcinoembryonic antigen-related cell adhesion molecule 1, HopQ | | 著者 | Bonsor, D.A, Sundberg, E.J. | | 登録日 | 2017-09-05 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA.
EMBO J., 37, 2018
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4HZ0
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | | 分子名称: | 7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine, DNA topoisomerase 4 subunit B, MAGNESIUM ION | | 著者 | Bensen, D.C, Trzoss, M, Tari, L.W. | | 登録日 | 2012-11-14 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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6B05
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4KY4
 | | Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one, Aminopterin, ... | | 著者 | Sharma, H, Anderson, K.S. | | 登録日 | 2013-05-28 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Discovery of potent and selective inhibitors of Toxoplasma gondii thymidylate synthase for opportunistic infections.
ACS Med Chem Lett, 4, 2013
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6AVZ
 | | Crystal structure of the HopQ-CEACAM3 WT complex | | 分子名称: | CALCIUM ION, Carcinoembryonic antigen-related cell adhesion molecule 3, HopQ, ... | | 著者 | Bonsor, D.A, Sundberg, E.J. | | 登録日 | 2017-09-05 | | 公開日 | 2018-05-16 | | 最終更新日 | 2018-07-11 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA.
EMBO J., 37, 2018
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6AWM
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6B03
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4HYP
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | | 分子名称: | DNA gyrase subunit B, MAGNESIUM ION, N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide | | 著者 | Bensen, D.C, Creighton, C.J, Tari, L.W. | | 登録日 | 2012-11-13 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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4HZ5
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity | | 分子名称: | 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, DNA topoisomerase IV, B subunit | | 著者 | Bensen, D.C, Creighton, C.J, Tari, L.W. | | 登録日 | 2012-11-14 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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4HZU
 | | Structure of a bacterial energy-coupling factor transporter | | 分子名称: | Energy-coupling factor transporter ATP-binding protein EcfA 1, Energy-coupling factor transporter ATP-binding protein EcfA 2, Energy-coupling factor transporter transmembrane protein EcfT, ... | | 著者 | Wang, T.L, Fu, G.B, Pan, X.J, Shi, Y.G. | | 登録日 | 2012-11-15 | | 公開日 | 2013-04-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.53 Å) | | 主引用文献 | Structure of a bacterial energy-coupling factor transporter.
Nature, 497, 2013
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6AW3
 | | Crystal structure of the HopQ-CEACAM3 L44Q complex | | 分子名称: | Carcinoembryonic antigen-related cell adhesion molecule 3, HopQ | | 著者 | Bonsor, D.A, Sundberg, E.J. | | 登録日 | 2017-09-05 | | 公開日 | 2018-05-16 | | 最終更新日 | 2018-07-11 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA.
EMBO J., 37, 2018
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4M59
 | | Crystal structure of the pentatricopeptide repeat protein PPR10 in complex with an 18-nt psaJ RNA element | | 分子名称: | Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA | | 著者 | Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N. | | 登録日 | 2013-08-08 | | 公開日 | 2013-10-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structural basis for the modular recognition of single-stranded RNA by PPR proteins.
Nature, 504, 2013
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5WTK
 | | Crystal structure of RNP complex | | 分子名称: | CRISPR-associated endoribonuclease C2c2, RNA (58-MER) | | 著者 | Liu, L, Wang, Y. | | 登録日 | 2016-12-13 | | 公開日 | 2017-02-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | | 主引用文献 | Two Distant Catalytic Sites Are Responsible for C2c2 RNase Activities
Cell, 168, 2017
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5X27
 | | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5) | | 分子名称: | 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor | | 著者 | Yun, C.H. | | 登録日 | 2017-01-31 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.952 Å) | | 主引用文献 | Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
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