4LY9
 
 | | Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate | | 分子名称: | (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | 著者 | Jordan, S.R. | | 登録日 | 2013-07-30 | | 公開日 | 2013-11-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Nature, 504, 2013
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3VEY
 | | glucokinase in complex with glucose and ATPgS | | 分子名称: | 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine, Glucokinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | 著者 | Liu, S. | | 登録日 | 2012-01-09 | | 公開日 | 2012-02-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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8HBT
 | | AmAT7-3 mutant A310G | | 分子名称: | AmAT7-3-A310G, Astragaloside IV | | 著者 | Wang, L.L. | | 登録日 | 2022-10-31 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus.
Nat Commun, 14, 2023
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8H8I
 | | Triterpenoid saponin acetyltransferase, AmAT7-3 | | 分子名称: | AmAT7-3, Astragaloside IV | | 著者 | Wang, L.L. | | 登録日 | 2022-10-22 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus.
Nat Commun, 14, 2023
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4GFG
 | | Crystal structure of spleen tyrosine kinase complexed with r9021 | | 分子名称: | 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK | | 著者 | Lukacs, C, Slade, M. | | 登録日 | 2012-08-03 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | A specific SYK inhibitor blocks B Cell Receptor, Fc Receptor, and Toll-like Receptor 9 pathways for the treatment of inflammatory diseases.
To be Published
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5YRN
 | | Structure of RIP2 CARD domain | | 分子名称: | Receptor-interacting serine/threonine-protein kinase 2 | | 著者 | Wu, B, Gong, Q. | | 登録日 | 2017-11-09 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structural basis of RIP2 activation and signaling.
Nat Commun, 9, 2018
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8GTD
 | | Cryo-EM model of the marine siphophage vB_DshS-R4C portal-adaptor complex | | 分子名称: | Head-to-tail joining protein, Portal protein | | 著者 | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTA
 | | Cryo-EM structure of the marine siphophage vB_Dshs-R4C capsid | | 分子名称: | Major capsid protein | | 著者 | Sun, H, Huang, Y, Zheng, Q, Li, S, Zhang, R, Xia, N. | | 登録日 | 2022-09-07 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTB
 | | Cryo-EM structure of the marine siphophage vB_DshS-R4C tail tube protein | | 分子名称: | Major tail protein | | 著者 | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTF
 | | Cryo-EM model of the marine siphophage vB_DshS-R4C stopper-terminator complex | | 分子名称: | Head-to-tail joining protein, Major tail protein, Terminator protein | | 著者 | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (6.6 Å) | | 主引用文献 | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTC
 | | Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex | | 分子名称: | Distal tail protein, Hub protein, Major tail protein, ... | | 著者 | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | 登録日 | 2022-09-08 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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6J1U
 | | influenza virus nucleoprotein with a specific inhibitor | | 分子名称: | Nucleoprotein, ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | | 著者 | Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q. | | 登録日 | 2018-12-29 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of a Novel Specific Inhibitor Targeting Influenza A Virus Nucleoprotein with Pleiotropic Inhibitory Effects on Various Steps of the Viral Life Cycle.
J.Virol., 95, 2021
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4AGW
 | | Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide, GLYCEROL, ... | | 著者 | Weisberg, E, Choi, H.G, Seeliger, M, Gray, N, Griffin, J.D. | | 登録日 | 2012-02-01 | | 公開日 | 2012-02-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of a Small-Molecule Type II Inhibitor of Wild-Type and Gatekeeper Mutants of Bcr-Abl, Pdgfralpha, Kit, and Src Kinases: Novel Type II Inhibitor of Gatekeeper Mutants.
Blood, 115, 2010
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6JKM
 | | Crystal structure of BubR1 kinase domain | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | | 登録日 | 2019-03-01 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
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4O91
 | | Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1 | | 分子名称: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide | | 著者 | Gurbani, D, Hunter, J.C, Tan, L, Westover, K.D. | | 登録日 | 2013-12-31 | | 公開日 | 2014-07-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.393 Å) | | 主引用文献 | Discovery of Type II Inhibitors of TGF beta-Activated Kinase 1 (TAK1) and Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2 (MAP4K2).
J.Med.Chem., 58, 2015
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3VF6
 | | Glucokinase in complex with glucose and activator | | 分子名称: | 6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid, Glucokinase, SODIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-01-09 | | 公開日 | 2012-02-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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4GEE
 | | 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: | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL | | 著者 | Bensen, D.C, Chen, Z, Tari, L.W. | | 登録日 | 2012-08-01 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 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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7ZJ6
 | | X-31 Hemagglutinin Precursor HA0 at pH 7.5 | | 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,Fibritin, ... | | 著者 | Garcia-Moro, E, Rosenthal, P.B. | | 登録日 | 2022-04-08 | | 公開日 | 2022-08-17 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
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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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4GGL
 | | 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-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL | | 著者 | Bensen, D.C, Creighton, C.J, Tari, L.W. | | 登録日 | 2012-08-06 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.69 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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4GFN
 | | 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 | | 分子名称: | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL | | 著者 | Bensen, D.C, Trzoss, M, Tari, L.W. | | 登録日 | 2012-08-03 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 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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4HXW
 | | 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: | (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL | | 著者 | Bensen, D.C, Trzoss, M, Tari, L.W. | | 登録日 | 2012-11-12 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.69 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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8BYP
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4HXZ
 | | 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, Topoisomerase IV, subunit B | | 著者 | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | | 登録日 | 2012-11-12 | | 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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