4IVA
 
 | | JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | | 分子名称: | Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | | 著者 | Eigenbrot, C, Shia, S. | | 登録日 | 2013-01-22 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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4JAI
 | | Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | | 分子名称: | Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | | 著者 | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | | 登録日 | 2013-02-18 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4JIA
 | | JAK2 kinase (JH1 domain) in complex with compound 9 | | 分子名称: | 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Eigenbrot, C, Ultsch, M. | | 登録日 | 2013-03-05 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4IVC
 | | JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE | | 分子名称: | (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1 | | 著者 | Eigenbrot, C, Shia, S. | | 登録日 | 2013-01-22 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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4JAJ
 | | Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE | | 分子名称: | Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one | | 著者 | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | | 登録日 | 2013-02-18 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4JI9
 | | JAK2 kinase (JH1 domain) in complex with TG101209 | | 分子名称: | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2 | | 著者 | Eigenbrot, C, Ultsch, M. | | 登録日 | 2013-03-05 | | 公開日 | 2013-08-07 | | 最終更新日 | 2013-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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5YSW
 | | Crystal Structure Analysis of Rif16 in complex with R-L | | 分子名称: | (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. | | 登録日 | 2017-11-15 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
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5YSM
 | | Crystal Structure Analysis of Rif16 | | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. | | 登録日 | 2017-11-14 | | 公開日 | 2018-07-04 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
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7VUN
 | | Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction | | 分子名称: | (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1 | | 著者 | Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B. | | 登録日 | 2021-11-03 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
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8W7A
 | | Cryo-EM structure of ClassIII Lanthipeptide modification enzyme PneKC in the presence of GTP. | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Protein kinase domain-containing protein | | 著者 | Li, Y, Luo, M, Shao, K, Li, J. | | 登録日 | 2023-08-30 | | 公開日 | 2024-08-28 | | 実験手法 | ELECTRON MICROSCOPY (3.77 Å) | | 主引用文献 | Mechanistic insights into lanthipeptide modification by a distinct subclass of LanKC enzyme that forms dimers.
Nat Commun, 15, 2024
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8W7J
 | | Cryo-EM structure of ClassIII Lanthipeptide modification enzyme PneKC with chain A bounded to substrate PneA and GTP. | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, PneA LP, ... | | 著者 | Li, Y, Luo, M, Shao, K, Li, J, Li, Z. | | 登録日 | 2023-08-30 | | 公開日 | 2024-08-28 | | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | | 主引用文献 | Mechanistic insights into lanthipeptide modification by a distinct subclass of LanKC enzyme that forms dimers.
Nat Commun, 15, 2024
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8WGO
 | | Cryo-EM structure of ClassIII Lanthipeptide modification enzyme PneKC in the presence of PneA and GTPrS. | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Li, Y, Luo, M, Shao, K, Li, J. | | 登録日 | 2023-09-22 | | 公開日 | 2024-08-28 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Mechanistic insights into lanthipeptide modification by a distinct subclass of LanKC enzyme that forms dimers.
Nat Commun, 15, 2024
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4O0Y
 | | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | | 分子名称: | 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol, Serine/threonine-protein kinase PAK 4 | | 著者 | Rouge, L, Tam, C, Wang, W. | | 登録日 | 2013-12-14 | | 公開日 | 2014-02-12 | | 最終更新日 | 2014-02-26 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
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4O0R
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4O0T
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4O0V
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4O0X
 | | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | | 分子名称: | 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol, Serine/threonine-protein kinase PAK 4 | | 著者 | Rouge, L, Tam, C, Wang, W. | | 登録日 | 2013-12-14 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.483 Å) | | 主引用文献 | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
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7DY7
 | | Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation | | 分子名称: | 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1 | | 著者 | Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B. | | 登録日 | 2021-01-20 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation.
J.Med.Chem., 65, 2022
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8J9G
 | | CrtSPARTA hetero-dimer bound with guide-target, state 1 | | 分子名称: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | | 著者 | Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R. | | 登録日 | 2023-05-03 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
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8J8H
 | | SPARTA monomer bound with guide-target, state 2 | | 分子名称: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | | 著者 | Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R. | | 登録日 | 2023-05-01 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
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8J9P
 | | SPARTA dimer bound with guide-target | | 分子名称: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | | 著者 | Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R. | | 登録日 | 2023-05-04 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
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8J84
 | | Short ago complexed with TIR-APAZ | | 分子名称: | Piwi domain-containing protein, TIR domain-containing protein | | 著者 | Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R. | | 登録日 | 2023-04-30 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
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8J0Q
 | | Structure of DNA binding domain of human TFAP2B | | 分子名称: | GLYCEROL, Transcription factor AP-2-beta | | 著者 | Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R. | | 登録日 | 2023-04-11 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
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8J0L
 | | Structure of DNA binding Domain of Human TFAP2A | | 分子名称: | GLYCEROL, Transcription factor AP-2-alpha | | 著者 | Liu, K, Xiao, Y.Q, Gan, L.Y, Min, J.R. | | 登録日 | 2023-04-11 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
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8J0R
 | | Structure of human TFAP2A in complex with DNA | | 分子名称: | DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*TP*GP*CP*CP*TP*CP*AP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*TP*GP*AP*GP*GP*CP*AP*G)-3'), ... | | 著者 | Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R. | | 登録日 | 2023-04-11 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
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