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5TUY
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BU of 5tuy by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124
分子名称: 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2016-11-07
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TUZ
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BU of 5tuz by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT1, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2016-11-07
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
2DDY
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BU of 2ddy by Molmil
Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor
分子名称: (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ...
著者Zheng, X.H, Ou, L.
登録日2006-02-06
公開日2007-02-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor
to be published
6LJ9
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BU of 6lj9 by Molmil
Crystal Structure of Se-Met ASFV pS273R protease
分子名称: Cysteine protease S273R
著者Li, G.B, Liu, X.X, Chen, C, Guo, Y.
登録日2019-12-13
公開日2020-02-26
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020
6LJB
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BU of 6ljb by Molmil
Crystal Structure of ASFV pS273R protease
分子名称: Cysteine protease S273R
著者Li, G.B, Liu, X.X, Chen, C, Guo, Y.
登録日2019-12-13
公開日2020-02-26
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020
1VFQ
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BU of 1vfq by Molmil
The Crystal Structure of Human Coactosin-like Protein at 1.9 A Resolution
分子名称: Coactosin-like protein
著者Li, X, Liu, Y, Liu, X, Lou, Z.
登録日2004-04-19
公開日2005-01-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human coactosin-like protein at 1.9 A resolution
PROTEIN SCI., 13, 2004
6JBT
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BU of 6jbt by Molmil
Complex structure of toripalimab-Fab and PD-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, ...
著者Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J.
登録日2019-01-26
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy.
Mabs, 11, 2019
3I6G
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BU of 3i6g by Molmil
Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Liu, J.
登録日2009-07-07
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献The membrane protein of severe acute respiratory syndrome coronavirus acts as a dominant immunogen revealed by a clustering region of novel functionally and structurally defined cytotoxic T-lymphocyte epitopes.
J.INFECT.DIS., 202, 2010
1DNV
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BU of 1dnv by Molmil
PARVOVIRUS (DENSOVIRUS) FROM GALLERIA MELLONELLA
分子名称: GALLERIA MELLONELLA DENSOVIRUS CAPSID PROTEIN
著者Simpson, A.A, Chipmann, P.R, Baker, T.S, Tijssen, P, Rossmann, M.G.
登録日1998-07-22
公開日1999-02-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The structure of an insect parvovirus (Galleria mellonella densovirus) at 3.7 A resolution.
Structure, 6, 1998
4DPV
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BU of 4dpv by Molmil
PARVOVIRUS/DNA COMPLEX
分子名称: DNA (5'-D(*AP*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'), MAGNESIUM ION, PROTEIN (PARVOVIRUS COAT PROTEIN)
著者Chapman, M.S, Rossmann, M.G.
登録日1996-02-01
公開日1997-04-01
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Canine parvovirus capsid structure, analyzed at 2.9 A resolution.
J.Mol.Biol., 264, 1996
4EJN
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BU of 4ejn by Molmil
Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide
分子名称: 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ...
著者Eathiraj, S.
登録日2012-04-06
公開日2012-05-23
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
4D2K
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BU of 4d2k by Molmil
Crystal structure of DREP2 CIDE domain
分子名称: DREP2
著者Jang, T.H, Park, H.H, Kim, Y.G, Jeong, J.H.
登録日2014-05-12
公開日2015-05-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献CIDE domains form functionally important higher-order assemblies for DNA fragmentation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5HVW
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BU of 5hvw by Molmil
Monomeric IgG4 Fc
分子名称: GLYCEROL, Ig gamma-4 chain C region, ZINC ION, ...
著者Oganesyan, V.Y, Shan, L, Dall'Acqua, W.F.
登録日2016-01-28
公開日2016-08-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Generation and Characterization of an IgG4 Monomeric Fc Platform.
Plos One, 11, 2016
2POI
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BU of 2poi by Molmil
Crystal structure of XIAP BIR1 domain (I222 form)
分子名称: Baculoviral IAP repeat-containing protein 4, ZINC ION
著者Lin, S.
登録日2007-04-26
公開日2007-07-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
2POM
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BU of 2pom by Molmil
TAB1 with manganese ion
分子名称: MANGANESE (II) ION, Mitogen-activated protein kinase kinase kinase 7-interacting protein 1
著者Lin, S.C.
登録日2007-04-26
公開日2007-07-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
5IN1
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BU of 5in1 by Molmil
Crystal Structure of the MRG701 chromodomain
分子名称: 1,2-ETHANEDIOL, MRG701, SULFATE ION
著者Huang, Y, Liu, Y.
登録日2016-03-07
公開日2017-03-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies on MRG701 chromodomain reveal a novel dimerization interface of MRG proteins in green plants
Protein Cell, 7, 2016
6ECQ
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BU of 6ecq by Molmil
The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY345899
分子名称: METHYLENETETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE, N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bueno, R.V, Dawson, A, Hunter, W.N.
登録日2018-08-08
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
3BV2
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BU of 3bv2 by Molmil
Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30
分子名称: 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3BV3
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BU of 3bv3 by Molmil
Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2
分子名称: 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-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2008-01-04
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
6ECR
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BU of 6ecr by Molmil
The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP
分子名称: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, methylenetetrahydrofolate dehydrogenase cyclohydrolase
著者Bueno, R.V, Dawson, A, Hunter, W.N.
登録日2018-08-08
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6ECP
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BU of 6ecp by Molmil
The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY249543
分子名称: Methylenetetrahydrofolate dehydrogenase cyclohydrolase, N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bueno, R.V, Dawson, A, Hunter, W.N.
登録日2018-08-08
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
2QRA
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BU of 2qra by Molmil
Crystal structure of XIAP BIR1 domain (P21 form)
分子名称: Baculoviral IAP repeat-containing protein 4, ETHANOL, ZINC ION
著者Lin, S.-C.
登録日2007-07-27
公開日2007-09-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the BIR1 domain of XIAP in two crystal forms
J.Mol.Biol., 372, 2007
2POP
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BU of 2pop by Molmil
The Crystal Structure of TAB1 and BIR1 complex
分子名称: Baculoviral IAP repeat-containing protein 4, Mitogen-activated protein kinase kinase kinase 7-interacting protein 1, ZINC ION
著者Lin, S.C.
登録日2007-04-27
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
5J87
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BU of 5j87 by Molmil
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
分子名称: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
著者Yun, C.H, Zhang, S.
登録日2016-04-07
公開日2017-04-19
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
4ZN2
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BU of 4zn2 by Molmil
Glycosyl hydrolase from Pseudomonas aeruginosa
分子名称: PslG
著者Su, T, Liu, S, Gu, L.
登録日2015-05-04
公開日2016-01-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献PslG, a self-produced glycosyl hydrolase, triggers biofilm disassembly by disrupting exopolysaccharide matrix
Cell Res., 25, 2015

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