2CXV
 
 | | 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 | | Descriptor: | N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Probable protein P3C | | Authors: | Yin, J, Bergmann, E.M, Cherney, M.M, Lall, M.S, Jain, R.P, Vederas, J.C, James, M.N.G. | | Deposit date: | 2005-07-01 | | Release date: | 2005-12-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 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
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2DJ5
 | | Crystal Structure of the vitamin B12 biosynthetic cobaltochelatase, CbiXS, from Archaeoglobus fulgidus | | Descriptor: | GLYCEROL, PHOSPHATE ION, Sirohydrochlorin cobaltochelatase | | Authors: | Yin, J, Cherney, M.M, James, M.N.G. | | Deposit date: | 2006-03-31 | | Release date: | 2006-09-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of the Vitamin B(12) Biosynthetic Cobaltochelatase, CbiX (S), from Archaeoglobus Fulgidus
J.STRUCT.FUNCT.GENOM., 7, 2006
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7YNY
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7YPO
 | | Cryo-EM structure of baculovirus LEF-3 in complex with ssDNA | | Descriptor: | DNA (28-MER), Lef3 | | Authors: | Yin, J, Fu, Y, Rao, G, Li, Z, Cao, S. | | Deposit date: | 2022-08-04 | | Release date: | 2023-01-25 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural transitions during the cooperative assembly of baculovirus single-stranded DNA-binding protein on ssDNA.
Nucleic Acids Res., 50, 2022
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1NAU
 | | NMR Solution Structure of the Glucagon Antagonist [desHis1, desPhe6, Glu9]Glucagon Amide in the Presence of Perdeuterated Dodecylphosphocholine Micelles | | Descriptor: | Glucagon | | Authors: | Ying, J, Ahn, J.-M, Jacobsen, N.E, Brown, M.F, Hruby, V.J. | | Deposit date: | 2002-11-28 | | Release date: | 2003-03-18 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of the Glucagon Antagonist [desHis1, desPhe6, Glu9]Glucagon Amide in the Presence of Perdeuterated Dodecylphosphocholine Micelles
Biochemistry, 42, 2003
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5CVO
 | | WDR48:USP46~ubiquitin ternary complex | | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, WD repeat-containing protein 48, ... | | Authors: | Harris, S.F, Yin, J. | | Deposit date: | 2015-07-27 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.885 Å) | | Cite: | Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
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5CVN
 | | WDR48 (2-580):USP46~ubiquitin ternary complex | | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, WD repeat-containing protein 48, ... | | Authors: | Harris, S.F, Yin, J. | | Deposit date: | 2015-07-27 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
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6XFP
 | | Crystal Structure of BRAF kinase domain bound to Belvarafenib | | Descriptor: | 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 | | Authors: | Yin, J, Sudhamsu, J. | | Deposit date: | 2020-06-16 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma.
Nature, 594, 2021
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6XLO
 | | Crystal structure of bRaf in complex with inhibitor | | Descriptor: | 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 | | Authors: | Yin, J, Eigenbrot, C, Wang, W. | | Deposit date: | 2020-06-28 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | 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
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4XJ0
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | Descriptor: | 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 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2015-01-08 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
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6D5Y
 | | Crystal structure of ERK2 G169D mutant | | Descriptor: | Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Jaiswal, B.S, Wang, W. | | Deposit date: | 2018-04-19 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | ERK Mutations and Amplification Confer Resistance to ERK-Inhibitor Therapy.
Clin. Cancer Res., 24, 2018
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7RCO
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5K4J
 | | Crystal Structure of CDK2 in complex with compound 22 | | Descriptor: | 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 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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
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5K4I
 | | Crystal Structure of ERK2 in complex with compound 22 | | Descriptor: | 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 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | 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
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7U5B
 | | Structure of Human KLK5 bound to anti-KLK5 Fab | | Descriptor: | Kallikrein-5, SULFATE ION, anti-KLK5 Fab Heavy Chain, ... | | Authors: | Yin, J, Sudhamsu, J. | | Deposit date: | 2022-03-02 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.371 Å) | | Cite: | Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis.
Sci Transl Med, 14, 2022
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5CVM
 | | USP46~ubiquitin BEA covalent complex | | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, ZINC ION | | Authors: | Harris, S.F, Yin, J. | | Deposit date: | 2015-07-27 | | Release date: | 2015-10-07 | | Last modified: | 2015-11-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
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5CVL
 | | WDR48 (UAF-1), residues 2-580 | | Descriptor: | GOLD ION, PHOSPHATE ION, WD repeat-containing protein 48 | | Authors: | HARRIS, S.F, YIN, J. | | Deposit date: | 2015-07-27 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
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7K0V
 | | Crystal structure of bRaf in complex with inhibitor GNE-0749 | | Descriptor: | 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 | | Authors: | Yin, J, Eigenbrot, C.E, Wang, W. | | Deposit date: | 2020-09-06 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | 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
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3TMO
 | | The catalytic domain of human deubiquitinase DUBA | | Descriptor: | OTU domain-containing protein 5 | | Authors: | Yin, J, Bosanac, I, Ma, X, Hymowitz, S, Starovasnik, M, Cochran, A. | | Deposit date: | 2011-08-31 | | Release date: | 2012-01-11 | | Last modified: | 2012-02-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
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8V52
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4M1U
 | | The crystal structure of Stx2 and a disaccharide ligand | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-methyl beta-D-galactopyranoside, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 A-subunit, ... | | Authors: | Yin, J, James, M.N.G, Jacobson, J.M, Kitov, P.I, Bundle, D.R, Mulvey, G, Armstrong, G. | | Deposit date: | 2013-08-04 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The crystal structure of shiga toxin type 2 with bound disaccharide guides the design of a heterobifunctional toxin inhibitor.
J.Biol.Chem., 289, 2014
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4QP4
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4QPA
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4QP7
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4QP3
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