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PDB: 96 results

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
Descriptor: 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
Authors:Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N.
Deposit date:2006-05-31
Release date:2006-08-08
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
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
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
Descriptor: ACETYL GROUP, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, PHENYLALANINE AMIDE, ...
Authors:Yin, J, Bergmann, E.M, Cherney, M.M, Lall, M.S, Jain, R.P, Vederas, J.C, James, M.N.G.
Deposit date:2005-06-29
Release date:2005-12-27
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.55 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
7SR8
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BU of 7sr8 by Molmil
Molecular mechanism of the the wake-promoting agent TAK-925
Descriptor: 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, ...
Authors:Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M.
Deposit date:2021-11-08
Release date:2022-06-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
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
1TJN
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BU of 1tjn by Molmil
Crystal structure of hypothetical protein af0721 from Archaeoglobus fulgidus
Descriptor: Sirohydrochlorin cobaltochelatase
Authors:Yin, J, Xu, X.L, Cuff, M, Walker, J.R, Edwards, A, Savchenko, A, James, M.N.G, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-06-06
Release date:2004-09-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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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BU of 8v52 by Molmil
Crystal structure of 2A10 Fab bound to Human TGF-beta3
Descriptor: 2A10 Fab Heavy Chain, 2A10 Fab Light chain, Transforming growth factor beta-3
Authors:Yin, J, Lupardus, P.J.
Deposit date:2023-11-30
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
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
7YNY
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BU of 7yny by Molmil
Crystal structure of baculovirus LEF-3 from Helicoverpa armigera nucleopolyhedrovirus
Descriptor: Lef3
Authors:Yin, J, Li, Z, Cao, S.
Deposit date:2022-08-01
Release date:2023-01-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.51 Å)
Cite: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
Descriptor: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP9
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BU of 4qp9 by Molmil
Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.001 Å)
Cite: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
Descriptor: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.249 Å)
Cite: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
Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.599 Å)
Cite: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
Descriptor: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite: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
Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.446 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP2
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BU of 4qp2 by Molmil
Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine
Descriptor: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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
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
4O6E
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BU of 4o6e by Molmil
Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2
Descriptor: 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
Authors:Yin, J, Wang, W.
Deposit date:2013-12-20
Release date:2014-05-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: Germline Metal Chelatase Catalytic Antibody, Heavy chain, Light chain, ...
Authors:Yin, J, Andryski, S.E, Beuscher, A.B, Stevens, R.C, Schultz, P.G.
Deposit date:2002-12-18
Release date:2003-03-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Germline Metal Chelatase Catalytic Antibody, chain H, chain L, ...
Authors:Yin, J, Andryski, S.E, Beuscher IV, A.E, Stevens, R.C, Schultz, P.G.
Deposit date:2002-11-15
Release date:2003-02-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural evidence for substrate strain in antibody catalysis
Proc.Natl.Acad.Sci.USA, 100, 2003
1NGW
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BU of 1ngw by Molmil
Chimeric Affinity Matured Fab 7g12 complexed with mesoporphyrin
Descriptor: Mature Metal Chelatase Catalytic Antibody, Heavy chain, Light chain, ...
Authors:Yin, J, Andryski, S.E, Beuscher IV, A.E, Stevens, R.C, Schultz, P.G.
Deposit date:2002-12-18
Release date:2003-02-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Germline Metal Chelatase Catalytic Antibody, Heavy chain, Light chain
Authors:Yin, J, Andryski, S.A, Beuscher, A.B, Stevens, R.C, Schultz, P.G.
Deposit date:2002-12-18
Release date:2003-02-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural evidence for substrate strain in antibody catalysis
Proc.Natl.Acad.Sci.USA, 100, 2003
1NGY
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BU of 1ngy by Molmil
Chimeric Mature Fab 7g12-Apo
Descriptor: Mature Metal Chelatase Catalytic Antibody, Heavy chain, Light chain
Authors:Yin, J, Andryski, S.A, Beuscher, A.B, Stevens, R.C, Schultz, P.G.
Deposit date:2002-12-18
Release date:2003-02-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural evidence for substrate strain in antibody catalysis
Proc.Natl.Acad.Sci.USA, 100, 2003

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