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2CXV
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BU of 2cxv by Molmil
Dual Modes of Modification of Hepatitis A Virus 3C Protease by a Serine-Derived betaLactone: Selective Crystallization and High-resolution Structure of the His-102 Adduct
分子名称: N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Probable protein P3C
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2005-07-01
公開日2005-12-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 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
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
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
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
1NAU
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BU of 1nau by Molmil
NMR Solution Structure of the Glucagon Antagonist [desHis1, desPhe6, Glu9]Glucagon Amide in the Presence of Perdeuterated Dodecylphosphocholine Micelles
分子名称: Glucagon
著者Ying, J, Ahn, J.-M, Jacobsen, N.E, Brown, M.F, Hruby, V.J.
登録日2002-11-28
公開日2003-03-18
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of the Glucagon Antagonist [desHis1, desPhe6, Glu9]Glucagon Amide in the Presence of Perdeuterated Dodecylphosphocholine Micelles
Biochemistry, 42, 2003
5CVO
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BU of 5cvo by Molmil
WDR48:USP46~ubiquitin ternary complex
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, WD repeat-containing protein 48, ...
著者Harris, S.F, Yin, J.
登録日2015-07-27
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.885 Å)
主引用文献Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
5CVN
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BU of 5cvn by Molmil
WDR48 (2-580):USP46~ubiquitin ternary complex
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, WD repeat-containing protein 48, ...
著者Harris, S.F, Yin, J.
登録日2015-07-27
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
6XFP
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BU of 6xfp by Molmil
Crystal Structure of BRAF kinase domain bound to Belvarafenib
分子名称: 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf
著者Yin, J, Sudhamsu, J.
登録日2020-06-16
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma.
Nature, 594, 2021
6XLO
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BU of 6xlo by Molmil
Crystal structure of bRaf in complex with inhibitor
分子名称: 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf
著者Yin, J, Eigenbrot, C, Wang, W.
登録日2020-06-28
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.493 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
4XJ0
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BU of 4xj0 by Molmil
Crystal structure of ERK2 in complex with an inhibitor 14K
分子名称: 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2015-01-08
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
6D5Y
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BU of 6d5y by Molmil
Crystal structure of ERK2 G169D mutant
分子名称: Mitogen-activated protein kinase 1
著者Yin, J, Jaiswal, B.S, Wang, W.
登録日2018-04-19
公開日2019-02-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献ERK Mutations and Amplification Confer Resistance to ERK-Inhibitor Therapy.
Clin. Cancer Res., 24, 2018
7RCO
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BU of 7rco by Molmil
Crystal structure of human TGF-beta-2 bound to 4A11.V2 Fab
分子名称: 4A11.V2 Fab Heavy Chain, 4A11.V2 Fab Light Chain, Transforming growth factor beta-2
著者Yin, J, Lupardus, P.J, Sudhamsu, J.
登録日2021-07-07
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Dramatic activation of an antibody by a single amino acid change in framework.
Sci Rep, 11, 2021
5K4J
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BU of 5k4j by Molmil
Crystal Structure of CDK2 in complex with compound 22
分子名称: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2
著者Yin, J, Wang, W.
登録日2016-05-20
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5K4I
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BU of 5k4i by Molmil
Crystal Structure of ERK2 in complex with compound 22
分子名称: 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2016-05-20
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
7U5B
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BU of 7u5b by Molmil
Structure of Human KLK5 bound to anti-KLK5 Fab
分子名称: Kallikrein-5, SULFATE ION, anti-KLK5 Fab Heavy Chain, ...
著者Yin, J, Sudhamsu, J.
登録日2022-03-02
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.371 Å)
主引用文献Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis.
Sci Transl Med, 14, 2022
5CVM
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BU of 5cvm by Molmil
USP46~ubiquitin BEA covalent complex
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, ZINC ION
著者Harris, S.F, Yin, J.
登録日2015-07-27
公開日2015-10-07
最終更新日2015-11-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
5CVL
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BU of 5cvl by Molmil
WDR48 (UAF-1), residues 2-580
分子名称: GOLD ION, PHOSPHATE ION, WD repeat-containing protein 48
著者HARRIS, S.F, YIN, J.
登録日2015-07-27
公開日2015-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
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
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
8V52
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BU of 8v52 by Molmil
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
4M1U
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BU of 4m1u by Molmil
The crystal structure of Stx2 and a disaccharide ligand
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-methyl beta-D-galactopyranoside, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 A-subunit, ...
著者Yin, J, James, M.N.G, Jacobson, J.M, Kitov, P.I, Bundle, D.R, Mulvey, G, Armstrong, G.
登録日2013-08-04
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The crystal structure of shiga toxin type 2 with bound disaccharide guides the design of a heterobifunctional toxin inhibitor.
J.Biol.Chem., 289, 2014
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
4QP7
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BU of 4qp7 by Molmil
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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BU of 4qp3 by Molmil
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

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