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PDB: 96 件

2H6M
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An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
分子名称: N-ACETYL-LEUCYL-ALANYL-ALANYL-(N,N-DIMETHYL)-GLUTAMINE-(1,4-DIOXO-3,4-DIHYDRO-1H-PHTHALAZIN-2-YL)METHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Picornain 3C
著者Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N.
登録日2006-05-31
公開日2006-08-08
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors.
J.Mol.Biol., 361, 2006
2DJ5
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BU of 2dj5 by Molmil
Crystal Structure of the vitamin B12 biosynthetic cobaltochelatase, CbiXS, from Archaeoglobus fulgidus
分子名称: GLYCEROL, PHOSPHATE ION, Sirohydrochlorin cobaltochelatase
著者Yin, J, Cherney, M.M, James, M.N.G.
登録日2006-03-31
公開日2006-09-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of the Vitamin B(12) Biosynthetic Cobaltochelatase, CbiX (S), from Archaeoglobus Fulgidus
J.STRUCT.FUNCT.GENOM., 7, 2006
2A4O
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BU of 2a4o by Molmil
Dual modes of modification of Hepatitis A virus 3C protease by a serine derived beta-lactone: selective crytstallization and high resolution structure of the His102 adduct
分子名称: ACETYL GROUP, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, PHENYLALANINE AMIDE, ...
著者Yin, J, Bergmann, E.M, Cherney, M.M, Lall, M.S, Jain, R.P, Vederas, J.C, James, M.N.G.
登録日2005-06-29
公開日2005-12-27
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Dual Modes of Modification of Hepatitis A Virus 3C Protease by a Serine-derived beta-Lactone: Selective Crystallization and Formation of a Functional Catalytic Triad in the Active Site
J.MOL.BIOL., 354, 2005
7SR8
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BU of 7sr8 by Molmil
Molecular mechanism of the the wake-promoting agent TAK-925
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Hypocretin receptor type 2, ...
著者Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M.
登録日2021-11-08
公開日2022-06-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
7K0V
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BU of 7k0v by Molmil
Crystal structure of bRaf in complex with inhibitor GNE-0749
分子名称: CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase
著者Yin, J, Eigenbrot, C.E, Wang, W.
登録日2020-09-06
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
1TJN
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BU of 1tjn by Molmil
Crystal structure of hypothetical protein af0721 from Archaeoglobus fulgidus
分子名称: Sirohydrochlorin cobaltochelatase
著者Yin, J, Xu, X.L, Cuff, M, Walker, J.R, Edwards, A, Savchenko, A, James, M.N.G, Midwest Center for Structural Genomics (MCSG)
登録日2004-06-06
公開日2004-09-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of af0721: a hypothetical protein bearing sequence similarity with class II chelatases in cobalamin synthesis
To be Published
8V52
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Crystal structure of 2A10 Fab bound to Human TGF-beta3
分子名称: 2A10 Fab Heavy Chain, 2A10 Fab Light chain, Transforming growth factor beta-3
著者Yin, J, Lupardus, P.J.
登録日2023-11-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Isoform-selective TGF-beta 3 inhibition for systemic sclerosis.
Med, 5, 2024
7YPO
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BU of 7ypo by Molmil
Cryo-EM structure of baculovirus LEF-3 in complex with ssDNA
分子名称: DNA (28-MER), Lef3
著者Yin, J, Fu, Y, Rao, G, Li, Z, Cao, S.
登録日2022-08-04
公開日2023-01-25
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural transitions during the cooperative assembly of baculovirus single-stranded DNA-binding protein on ssDNA.
Nucleic Acids Res., 50, 2022
7YNY
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BU of 7yny by Molmil
Crystal structure of baculovirus LEF-3 from Helicoverpa armigera nucleopolyhedrovirus
分子名称: Lef3
著者Yin, J, Li, Z, Cao, S.
登録日2022-08-01
公開日2023-01-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Structural transitions during the cooperative assembly of baculovirus single-stranded DNA-binding protein on ssDNA.
Nucleic Acids Res., 50, 2022
4QP1
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BU of 4qp1 by Molmil
Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
分子名称: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP9
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Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP7
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Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP3
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Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol
分子名称: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP4
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BU of 4qp4 by Molmil
Crystal Structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
分子名称: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QPA
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BU of 4qpa by Molmil
Crystal Structure of ERK2 in complex with 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP6
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BU of 4qp6 by Molmil
Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine
分子名称: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP8
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BU of 4qp8 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.446 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP2
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Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine
分子名称: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3TMO
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BU of 3tmo by Molmil
The catalytic domain of human deubiquitinase DUBA
分子名称: OTU domain-containing protein 5
著者Yin, J, Bosanac, I, Ma, X, Hymowitz, S, Starovasnik, M, Cochran, A.
登録日2011-08-31
公開日2012-01-11
最終更新日2012-02-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
4O6E
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BU of 4o6e by Molmil
Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2
分子名称: Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide
著者Yin, J, Wang, W.
登録日2013-12-20
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
1NGX
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BU of 1ngx by Molmil
Chimeric Germline Fab 7g12 with jeffamine fragment bound
分子名称: Germline Metal Chelatase Catalytic Antibody, Heavy chain, Light chain, ...
著者Yin, J, Andryski, S.E, Beuscher, A.B, Stevens, R.C, Schultz, P.G.
登録日2002-12-18
公開日2003-03-18
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural evidence for substrate strain in antibody catalysis
Proc.Natl.Acad.Sci.USA, 100, 2003
1N7M
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BU of 1n7m by Molmil
Germline 7G12 with N-methylmesoporphyrin
分子名称: Germline Metal Chelatase Catalytic Antibody, chain H, chain L, ...
著者Yin, J, Andryski, S.E, Beuscher IV, A.E, Stevens, R.C, Schultz, P.G.
登録日2002-11-15
公開日2003-02-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural evidence for substrate strain in antibody catalysis
Proc.Natl.Acad.Sci.USA, 100, 2003
1NGW
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Chimeric Affinity Matured Fab 7g12 complexed with mesoporphyrin
分子名称: Mature Metal Chelatase Catalytic Antibody, Heavy chain, Light chain, ...
著者Yin, J, Andryski, S.E, Beuscher IV, A.E, Stevens, R.C, Schultz, P.G.
登録日2002-12-18
公開日2003-02-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural evidence for substrate strain in antibody catalysis
Proc.Natl.Acad.Sci.USA, 100, 2003
1NGZ
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BU of 1ngz by Molmil
Chimeric Germline Fab 7g12-apo
分子名称: Germline Metal Chelatase Catalytic Antibody, Heavy chain, Light chain
著者Yin, J, Andryski, S.A, Beuscher, A.B, Stevens, R.C, Schultz, P.G.
登録日2002-12-18
公開日2003-02-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural evidence for substrate strain in antibody catalysis
Proc.Natl.Acad.Sci.USA, 100, 2003
1NGY
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Chimeric Mature Fab 7g12-Apo
分子名称: Mature Metal Chelatase Catalytic Antibody, Heavy chain, Light chain
著者Yin, J, Andryski, S.A, Beuscher, A.B, Stevens, R.C, Schultz, P.G.
登録日2002-12-18
公開日2003-02-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural evidence for substrate strain in antibody catalysis
Proc.Natl.Acad.Sci.USA, 100, 2003

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