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5WOP
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High Resolution Structure of Mutant CA09-PB2cap
分子名称: GLYCEROL, Polymerase PB2
著者Constantinides, A.E, Gumpper, R.H, Severin, C, Luo, M.
登録日2017-08-02
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献High-resolution structure of the Influenza A virus PB2cap binding domain illuminates the changes induced by ligand binding.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6O8C
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Crystal structure of STING CTT in complex with TBK1
分子名称: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein
著者Li, P, Zhao, B, Du, F.
登録日2019-03-09
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
6O8B
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Crystal structure of STING CTD in complex with TBK1
分子名称: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein
著者Li, P, Zhao, B, Du, F.
登録日2019-03-09
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
4O0Z
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Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase
分子名称: N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Oh, A, Wang, W.
登録日2013-12-14
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
4NLD
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Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
分子名称: (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ...
著者Sheriff, S.
登録日2013-11-14
公開日2014-03-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.
J.Med.Chem., 57, 2014
4O10
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Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase
分子名称: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Oh, A, Wang, W.
登録日2013-12-14
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
4O12
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Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase
分子名称: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Oh, A, Wang, W.
登録日2013-12-14
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
2KW0
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Solution structure of N-terminal domain of CcmH from Escherichia.coli
分子名称: CcmH protein
著者Hong, J, Zheng, X, Hu, H, Lin, D.
登録日2010-03-30
公開日2011-07-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Biochemical properties and catalytic domain structure of the CcmH protein from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2012
6FS0
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INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH AZD5991
分子名称: AZD5991, Fab Heavy Chain, Fab Light Chain, ...
著者Hargreaves, D.
登録日2018-02-18
公開日2018-12-26
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
7C0J
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Crystal structure of chimeric mutant of GH5 in complex with Z-DNA
分子名称: DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Histone H5,Double-stranded RNA-specific adenosine deaminase
著者Choi, H.J, Park, C.H.
登録日2020-05-01
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process.
Nucleic Acids Res., 48, 2020
7C0I
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Crystal structure of chimeric mutant of E3L in complex with Z-DNA
分子名称: DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Double-stranded RNA-binding protein,Double-stranded RNA-specific adenosine deaminase, SULFATE ION
著者Choi, H.J, Park, C.H, Kim, J.S.
登録日2020-05-01
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process.
Nucleic Acids Res., 48, 2020
2IBG
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Crystal Structure of Hedgehog Bound to the FNIII Domains of Ihog
分子名称: CG9211-PA, PHOSPHATE ION, Protein hedgehog
著者McLellan, J.S, Leahy, D.J.
登録日2006-09-11
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a heparin-dependent complex of Hedgehog and Ihog.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2IBB
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Crystal Structure of the First and Second FNIII Domains of Ihog
分子名称: CG9211-PA, SULFATE ION
著者McLellan, J.S, Leahy, D.J.
登録日2006-09-11
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a heparin-dependent complex of Hedgehog and Ihog.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2IC2
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Crystal Structure of the First FNIII Domain of Ihog
分子名称: CG9211-PA, SULFATE ION
著者McLellan, J.S, Leahy, D.J.
登録日2006-09-12
公開日2006-10-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of a heparin-dependent complex of Hedgehog and Ihog.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6M67
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The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6M68
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The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6M66
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The Cryo-EM Structure of Human Pannexin 1
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
2YEX
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Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
分子名称: 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A.
登録日2011-03-31
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2YER
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Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
分子名称: 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L.
登録日2011-03-30
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3QGH
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Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a complex with N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
分子名称: N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QGI
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Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a complex with N-[(2S)-butan-2-yl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
分子名称: GLYCEROL, N-[(2S)-butan-2-yl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, RNA-directed RNA polymerase
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QGF
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Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(6-chloropyridazin-3-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, (2R)-4-(6-chloropyridazin-3-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide, RNA-directed RNA polymerase, ...
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QGG
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Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, RNA-directed RNA polymerase, ...
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QGE
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Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide, RNA-directed RNA polymerase, ...
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QGD
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Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide, RNA-directed RNA polymerase, ...
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011

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