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PDB: 126 results

2H9H
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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: Hepatitis A virus protease 3C, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Three residue peptide
Authors:Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N.
Deposit date:2006-06-09
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.39 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
2HAL
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BU of 2hal by Molmil
An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
Descriptor: Hepatitis A Protease 3C, N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE
Authors:Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N.
Deposit date:2006-06-13
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 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
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
5GYJ
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BU of 5gyj by Molmil
Structure of catalytically active sortase from Clostridium difficile
Descriptor: Putative peptidase C60B, sortase B
Authors:Yin, J.-C, Fei, C.-H, Hsiao, Y.-Y, Nix, J.C, Huang, I.-H, Wang, S.
Deposit date:2016-09-22
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural Insights into Substrate Recognition by Clostridium difficile Sortase.
Front Cell Infect Microbiol, 6, 2016
3UCR
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BU of 3ucr by Molmil
Crystal structure of the immunoreceptor TIGIT IgV domain
Descriptor: CHLORIDE ION, T cell immunoreceptor with Ig and ITIM domains
Authors:Yin, J.P, Stengel, K.F, Rouge, L, Bazan, J.F, Wiesmann, C.
Deposit date:2011-10-27
Release date:2012-03-14
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (2.627 Å)
Cite:Structure of TIGIT immunoreceptor bound to poliovirus receptor reveals a cell-cell adhesion and signaling mechanism that requires cis-trans receptor clustering.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
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
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
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
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:2011-07-13
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
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
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
4E57
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BU of 4e57 by Molmil
Crystal Structure of spacer 6aa-shortened cephalosporin acylase mutant
Descriptor: CADMIUM ION, Cephalosporin acylase
Authors:Yin, J, Zhang, Z, Wu, G, Huang, X.
Deposit date:2012-03-14
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:spacer shortened Cephalosporin acylase
To be Published
4M1U
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BU of 4m1u by Molmil
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
4E56
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BU of 4e56 by Molmil
Crystal Structure of spacer 8aa-shortened cephalosporin acylase mutant
Descriptor: CALCIUM ION, Cephalosporin acylase
Authors:Yin, J, Zhang, Z, Wu, G, Huang, X.
Deposit date:2012-03-14
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:spacer shortened Cephalosporin acylase
To be Published
4E55
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BU of 4e55 by Molmil
Crystal Structure of spacer removed cephalosporin acylase mutant
Descriptor: CALCIUM ION, Cephalosporin acylase
Authors:Yin, J, Zhang, Z, Wu, G, Huang, X.
Deposit date:2012-03-14
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Spacer shortened Cephalosporin acylase
To be Published
4MXV
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BU of 4mxv by Molmil
Structure of Lymphotoxin alpha bound to anti-LTa Fab
Descriptor: Lymphotoxin-alpha, anti-Lymphotoxin alpha antibody heavy chain, anti-Lymphotoxin alpha antibody light chain
Authors:Yin, J.P, Hymowitz, S.G.
Deposit date:2013-09-26
Release date:2013-11-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction.
Proc.Natl.Acad.Sci.USA, 110, 2013
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
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
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
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
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

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