7F3B
 
 | | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | | 分子名称: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | | 著者 | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | | 登録日 | 2021-06-16 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
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8JWY
 | | Crystal structure of A2AR-T4L in complex with 2-118 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | | 著者 | Weng, Y, Chen, Y, Xu, Y, Song, G. | | 登録日 | 2023-06-29 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
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8JWZ
 | | Crystal structure of A2AR-T4L in complex with AB928 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | | 著者 | Weng, Y, Chen, Y, Xu, Y, Song, G. | | 登録日 | 2023-06-29 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
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6LU7
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | | 分子名称: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | 著者 | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | 登録日 | 2020-01-26 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
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4R99
 | | Crystal structure of a uricase from Bacillus fastidious | | 分子名称: | SULFATE ION, Uricase | | 著者 | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | | 登録日 | 2014-09-03 | | 公開日 | 2015-05-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions.
Appl.Microbiol.Biotechnol., 99, 2015
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4R8X
 | | Crystal structure of a uricase from Bacillus fastidious | | 分子名称: | Uricase | | 著者 | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | | 登録日 | 2014-09-03 | | 公開日 | 2015-05-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | | 主引用文献 | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions.
Appl.Microbiol.Biotechnol., 99, 2015
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6DA4
 | | JAK3 with Cyanamide CP10 | | 分子名称: | (Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine, Tyrosine-protein kinase JAK3 | | 著者 | Vajdos, F.F. | | 登録日 | 2018-05-01 | | 公開日 | 2018-11-28 | | 最終更新日 | 2019-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
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5UE8
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6Z2Z
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6Z2U
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2RG6
 | | Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11J | | 分子名称: | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Sack, J.S. | | 登録日 | 2007-10-02 | | 公開日 | 2008-01-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
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6ZSX
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6ZSW
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2RG5
 | | Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B | | 分子名称: | Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | | 著者 | Sack, J.S. | | 登録日 | 2007-10-02 | | 公開日 | 2008-01-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
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6X8F
 | | Crystal structure of TYK2 with Compound 11 | | 分子名称: | Non-receptor tyrosine-protein kinase TYK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile | | 著者 | Vajdos, F.F, Knafels, J.D. | | 登録日 | 2020-06-01 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
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7MP3
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6X8E
 | | Crystal structure of JAK2 with Compound 11 | | 分子名称: | Tyrosine-protein kinase JAK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile | | 著者 | Vajdos, F.F, Knafels, J.D. | | 登録日 | 2020-06-01 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
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6X8G
 | | Crystal structure of TYK2 with Compound 22 | | 分子名称: | Non-receptor tyrosine-protein kinase TYK2, trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile | | 著者 | Vajdos, F.F, Knafels, J.D. | | 登録日 | 2020-06-01 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
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7BW6
 | | Varicella-zoster virus capsid | | 分子名称: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | | 著者 | Wang, P.Y, Qi, J.X, Liu, C.C, Sun, J.Q. | | 登録日 | 2020-04-13 | | 公開日 | 2020-09-23 | | 最終更新日 | 2020-10-07 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Cryo-EM structure of the varicella-zoster virus A-capsid.
Nat Commun, 11, 2020
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4QQG
 | | Crystal structure of an N-terminal HTATIP fragment | | 分子名称: | Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION | | 著者 | Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2014-06-27 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and histone binding studies of the chromo barrel domain of TIP60.
FEBS Lett., 592, 2018
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8CY8
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8CYI
 | | Cryo-EM structures and computational analysis for enhanced potency in MTA-synergic inhibition of human protein arginine methyltransferase 5 | | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide, ... | | 著者 | Yadav, G.P, Wei, Z, Xiaozhi, Y, Chenglong, L, Jiang, Q. | | 登録日 | 2022-05-23 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | Cryo-EM structure-based selection of computed ligand poses enables design of MTA-synergic PRMT5 inhibitors of better potency.
Commun Biol, 5, 2022
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1UP7
 | | Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate | | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J. | | 登録日 | 2003-09-29 | | 公開日 | 2004-11-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
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1UP4
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1UP6
 | | Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.55 Angstrom resolution in the tetragonal form with manganese, NAD+ and glucose-6-phosphate | | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, MANGANESE (II) ION, ... | | 著者 | Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J. | | 登録日 | 2003-09-29 | | 公開日 | 2004-08-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | An Unusual Mechanism of Glycoside Hydrolysis Involving Redox and Elimination Steps by a Family 4 Beta-Glycosidase from Thermotoga Maritima.
J.Am.Chem.Soc., 126, 2004
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