8DEG
 
 | | Crystal structure of DLK in complex with inhibitor DN0011197 | | 分子名称: | Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | | 著者 | Srivastava, A, Lexa, K, de Vicente, J. | | 登録日 | 2022-06-20 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis.
J.Med.Chem., 65, 2022
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7SLS
 | | HIV Reverse Transcriptase with compound Pyr02 | | 分子名称: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | | 著者 | Klein, D.J, Zebisch, M, Gu, M. | | 登録日 | 2021-10-24 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.078 Å) | | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
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7SLR
 | | HIV Reverse Transcriptase with compound Pyr01 | | 分子名称: | 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | | 著者 | Klein, D.J, Zebisch, M, Gu, M. | | 登録日 | 2021-10-24 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.179 Å) | | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
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8JF4
 | | The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9 | | 分子名称: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A | | 著者 | Zhu, C.J. | | 登録日 | 2023-05-17 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.89288354 Å) | | 主引用文献 | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8JF3
 | | C-Src in complex with compound 9 | | 分子名称: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Zhang, Z.M, Huang, H.S. | | 登録日 | 2023-05-17 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.84647632 Å) | | 主引用文献 | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8JG8
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8JBV
 | | Extracellular domain of gamma delta TCR | | 分子名称: | T cell receptor delta variable 1,T cell receptor delta constant, T cell receptor gamma variable 5,T cell receptor gamma constant 1 | | 著者 | Xin, W, Chi, X, Huang, B, Su, Q, Zhou, Q. | | 登録日 | 2023-05-09 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
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6MCC
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6XLP
 | | Structure of the essential inner membrane lipopolysaccharide-PbgA complex | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose-(6-1)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)]1,5-anhydro-2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-D-glucitol, ... | | 著者 | Payandeh, J, Clairefeuille, T. | | 登録日 | 2020-06-29 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of the essential inner membrane lipopolysaccharide-PbgA complex.
Nature, 584, 2020
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7SVM
 | | DPP8 IN COMPLEX WITH LIGAND ICeD-2 | | 分子名称: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | | 登録日 | 2021-11-19 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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7SVO
 | | DPP8 IN COMPLEX WITH LIGAND ICeD-1 | | 分子名称: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | | 登録日 | 2021-11-19 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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7SVN
 | | DPP9 IN COMPLEX WITH LIGAND ICeD-1 | | 分子名称: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | | 登録日 | 2021-11-19 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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7SVL
 | | DPP9 IN COMPLEX WITH LIGAND ICeD-2 | | 分子名称: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | | 登録日 | 2021-11-19 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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4TN2
 | | NS5b in complex with lactam-thiophene carboxylic acids | | 分子名称: | 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid, Genome polyprotein | | 著者 | Chopra, R. | | 登録日 | 2014-06-02 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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6P7M
 | | Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (1:2 complex) | | 分子名称: | Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ... | | 著者 | Knott, G.J, Liu, J.J, Doudna, J.A. | | 登録日 | 2019-06-06 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a.
Elife, 8, 2019
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6P7N
 | | Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (2:2 complex) | | 分子名称: | Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ... | | 著者 | Knott, G.J, Liu, J.J, Doudna, J.A. | | 登録日 | 2019-06-06 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | | 主引用文献 | Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a.
Elife, 8, 2019
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4TLR
 | | NS5b in complex with lactam-thiophene carboxylic acids | | 分子名称: | 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, NS5b | | 著者 | Chopra, R. | | 登録日 | 2014-05-30 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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5SUN
 | | IDH1 R132H in complex with IDH146 | | 分子名称: | 1,2-ETHANEDIOL, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | | 著者 | Xie, X, Kulathila, R. | | 登録日 | 2016-08-03 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.477 Å) | | 主引用文献 | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
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7FCP
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7FCQ
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5SVF
 | | IDH1 R132H in complex with IDH125 | | 分子名称: | (4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | 著者 | Xie, X, Kulathila, R. | | 登録日 | 2016-08-05 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
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5SVO
 | | Structure of IDH2 mutant R140Q | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ... | | 著者 | Xie, X, Kulathila, R. | | 登録日 | 2016-08-06 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
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5SVN
 | | Structure of IDH2 mutant R172K | | 分子名称: | DI(HYDROXYETHYL)ETHER, Isocitrate dehydrogenase [NADP], mitochondrial, ... | | 著者 | Xie, X, Kulathila, R. | | 登録日 | 2016-08-06 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
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6M63
 | | Crystal structure of a cAMP sensor G-Flamp1. | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Chimera of Cyclic nucleotide-gated potassium channel mll3241 and Yellow fluorescent protein | | 著者 | Zhou, Z, Chen, S, Wang, L, Chu, J. | | 登録日 | 2020-03-12 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | A high-performance genetically encoded fluorescent indicator for in vivo cAMP imaging.
Nat Commun, 13, 2022
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8U5W
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