6VNV
 
 | | Crystal structure of TYK2 kinase with compound 14 | | 分子名称: | (1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | 著者 | Vajdos, F.F. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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5UBT
 | | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE | | 分子名称: | 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Sack, J.S. | | 登録日 | 2016-12-21 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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6W8L
 | | Crystal structure of JAK1 kinase with compound 10 | | 分子名称: | N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK1 | | 著者 | Vajdos, F.F. | | 登録日 | 2020-03-20 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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5UF7
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5BPE
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7YQE
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7TD5
 | | Structure of human PRC2-EZH1 containing phosphorylated SUZ12 | | 分子名称: | Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ... | | 著者 | Gong, L, Jiao, L, Liu, X. | | 登録日 | 2021-12-30 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.994 Å) | | 主引用文献 | CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site.
Nat Commun, 13, 2022
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4FFW
 | | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin | | 分子名称: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ... | | 著者 | Wang, Z, Sudom, A, Walker, N.P, Min, X. | | 登録日 | 2012-06-01 | | 公開日 | 2012-12-12 | | 最終更新日 | 2021-05-19 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
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6K2D
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7YJI
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7YDX
 | | Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | | 分子名称: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | 著者 | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | | 登録日 | 2022-07-04 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.642 Å) | | 主引用文献 | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
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3M6F
 | | CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID | | 分子名称: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION | | 著者 | Sheriff, S. | | 登録日 | 2010-03-15 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010
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3OLI
 | | Structures of human pancreatic alpha-amylase in complex with acarviostatin IV03 | | 分子名称: | (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | 著者 | Qin, X, Ren, L. | | 登録日 | 2010-08-26 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
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3OLD
 | | Crystal structure of alpha-amylase in complex with acarviostatin I03 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | | 著者 | Qin, X, Ren, L. | | 登録日 | 2010-08-26 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes
J.Struct.Biol., 174, 2011
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3OLG
 | | Structures of human pancreatic alpha-amylase in complex with acarviostatin III03 | | 分子名称: | (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Qin, X, Ren, L. | | 登録日 | 2010-08-26 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
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3OLE
 | | Structures of human pancreatic alpha-amylase in complex with acarviostatin II03 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | | 著者 | Qin, X, Ren, L. | | 登録日 | 2010-08-26 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
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3U9N
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4QQN
 | | Protein arginine methyltransferase 3 in complex with compound MTV044246 | | 分子名称: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | | 著者 | Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC) | | 登録日 | 2014-06-27 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
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7SNI
 | | Structure of G6PD-D200N tetramer bound to NADP+ and G6P | | 分子名称: | 6-O-phosphono-beta-D-glucopyranose, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wei, X, Marmorstein, R. | | 登録日 | 2021-10-28 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Allosteric role of a structural NADP + molecule in glucose-6-phosphate dehydrogenase activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SNG
 | | structure of G6PD-WT tetramer | | 分子名称: | Glucose-6-phosphate 1-dehydrogenase | | 著者 | Wei, X, Marmorstein, R. | | 登録日 | 2021-10-28 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Allosteric role of a structural NADP + molecule in glucose-6-phosphate dehydrogenase activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SNH
 | | Structure of G6PD-D200N tetramer bound to NADP+ | | 分子名称: | Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wei, X, Marmorstein, R. | | 登録日 | 2021-10-28 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Allosteric role of a structural NADP + molecule in glucose-6-phosphate dehydrogenase activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SNF
 | | Structure of G6PD-WT dimer | | 分子名称: | Glucose-6-phosphate 1-dehydrogenase | | 著者 | Wei, X, Marmorstein, R. | | 登録日 | 2021-10-28 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Allosteric role of a structural NADP + molecule in glucose-6-phosphate dehydrogenase activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7TOE
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7UAL
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7TOF
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