4U81
 
 | | MEK1 Kinase bound to small molecule inhibitor G659 | | 分子名称: | 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Robarge, K.D, Ultsch, M.H, Weismann, C. | | 登録日 | 2014-07-31 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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5XGH
 | | Crystal structure of PI3K complex with an inhibitor | | 分子名称: | 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Song, K, Yang, X, Zhao, Y, Jian, Z. | | 登録日 | 2017-04-13 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | New Insights into PI3K Inhibitor Design using X-ray Structures of PI3K alpha Complexed with a Potent Lead Compound.
Sci Rep, 7, 2017
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3ENS
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5XK3
 | | Crystal structure of apo form Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 | | 分子名称: | SULFATE ION, Undecaprenyl diphosphate synthase | | 著者 | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | | 登録日 | 2017-05-05 | | 公開日 | 2018-01-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | | 主引用文献 | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5XKN
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5XM8
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4U7Z
 | | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | | 分子名称: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | | 登録日 | 2014-07-31 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.805 Å) | | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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4U80
 | | MEK 1 kinase bound to G799 | | 分子名称: | 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Ultsch, M.H, Robarge, K.D, Weismann, C. | | 登録日 | 2014-07-31 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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7MEW
 | | E. coli MsbA in complex with G247 | | 分子名称: | (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid, ATP-dependent lipid A-core flippase | | 著者 | Thelot, F, Liao, M. | | 登録日 | 2021-04-08 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
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8F60
 | | anti-BTLA monoclonal antibody r23C8 in complex with BTLA | | 分子名称: | ACETATE ION, B- and T-lymphocyte attenuator, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | | 登録日 | 2022-11-15 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
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8F6O
 | | anti-BTLA monoclonal antibody h22B3 in complex with BTLA | | 分子名称: | B- and T-lymphocyte attenuator, h22B3 Fab heavy chain, h22B3 Fab light chain | | 著者 | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | | 登録日 | 2022-11-16 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
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7MET
 | | A. baumannii MsbA in complex with TBT1 decoupler | | 分子名称: | 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, ATP-dependent lipid A-core flippase | | 著者 | Thelot, F, Liao, M. | | 登録日 | 2021-04-07 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.97 Å) | | 主引用文献 | Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
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8F6L
 | | anti-BTLA monoclonal antibody h25F7 in complex with BTLA | | 分子名称: | B- and T-lymphocyte attenuator, h25F7 Fab heavy chain, h25F7 Fab light chain | | 著者 | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | | 登録日 | 2022-11-16 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
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8HIJ
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8HIK
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8HII
 | | The BRIL-SLC19A1/Fab/Nb ternary complex | | 分子名称: | BRIL-SLC19A1 chimera, anti-BRIL Fab heavy chain, anti-BRIL Fab light chain, ... | | 著者 | Zhang, Z, Dang, Y. | | 登録日 | 2022-11-20 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-01-11 | | 実験手法 | ELECTRON MICROSCOPY (3.57 Å) | | 主引用文献 | Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
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6EIV
 | | DYRK1A in complex with JWD-065 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide | | 著者 | Rothweiler, U. | | 登録日 | 2017-09-19 | | 公開日 | 2018-08-29 | | 最終更新日 | 2018-09-26 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
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5XK8
 | | Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GPP | | 分子名称: | GERANYL DIPHOSPHATE, MAGNESIUM ION, Undecaprenyl diphosphate synthase | | 著者 | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | | 登録日 | 2017-05-05 | | 公開日 | 2018-01-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.304 Å) | | 主引用文献 | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5HQP
 | | Crystal structure of the ERp44-peroxiredoxin 4 complex | | 分子名称: | Endoplasmic reticulum resident protein 44, Peroxiredoxin-4 | | 著者 | Yang, K, Li, D.F, Wang, X, Wang, C.C. | | 登録日 | 2016-01-22 | | 公開日 | 2016-10-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of the ERp44-Peroxiredoxin 4 Complex Reveals the Molecular Mechanisms of Thiol-Mediated Protein Retention.
Structure, 24, 2016
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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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7YPX
 | | Cyanophage Pam3 fiber | | 分子名称: | Pam3 tail fiber proreins, tail fiber chaperone | | 著者 | Wei, Z.L, Jiang, Y.L, Zhou, C.Z. | | 登録日 | 2022-08-04 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Structural Insights into the Chaperone-Assisted Assembly of a Simplified Tail Fiber of the Myocyanophage Pam3.
Viruses, 14, 2022
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6EIR
 | | DYRK1A in complex with XMD15-27-2 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide | | 著者 | Rothweiler, U. | | 登録日 | 2017-09-19 | | 公開日 | 2018-08-29 | | 最終更新日 | 2021-07-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
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8C3Y
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6EIQ
 | | DYRK1A in complex with XMD14-124 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone | | 著者 | Rothweiler, U. | | 登録日 | 2017-09-19 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
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8C44
 | | HB3VAR03 apo headstructure (PfEMP1 A) complexed with EPCR | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Endothelial protein C receptor, PHOSPHATIDYLETHANOLAMINE, ... | | 著者 | Raghavan, S.S.R, Lavstsen, T, Wang, K.T. | | 登録日 | 2022-12-31 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-12-27 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Endothelial protein C receptor binding induces conformational changes to severe malaria-associated group A PfEMP1.
Structure, 31, 2023
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