Author results

1CSY
  • Download 1csy
  • View 1csy
Molmil generated image of 1csy
SYK TYROSINE KINASE C-TERMINAL SH2 DOMAIN COMPLEXED WITH A PHOSPHOPEPTIDEFROM THE GAMMA CHAIN OF THE HIGH AFFINITY IMMUNOGLOBIN G RECEPTOR, NMR
Descriptor:SYK PROTEIN TYROSINE KINASE, ACETYL-THR-PTR-GLU-THR-LEU-NH2
Authors:Narula, S.S., Yuan, R.W., Adams, S.E., Green, O.M., Green, J., Phillips, T.B., Zydowsky, L.D., Botfield, M.C., Hatada, M.H., Laird, E.R., Zoller, M.J., Karas, J.L., Dalgarno, D.C.
Deposit date:1995-10-03
Release date:1996-11-08
Last modified:2012-02-22
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal SH2 domain of the human tyrosine kinase Syk complexed with a phosphotyrosine pentapeptide.
Structure, 3, 1995
1CSZ
  • Download 1csz
  • View 1csz
Molmil generated image of 1csz
SYK TYROSINE KINASE C-TERMINAL SH2 DOMAIN COMPLEXED WITH A PHOSPHOPEPTIDEFROM THE GAMMA CHAIN OF THE HIGH AFFINITY IMMUNOGLOBIN G RECEPTOR, NMR
Descriptor:SYK PROTEIN TYROSINE KINASE, ACETYL-THR-PTR-GLU-THR-LEU-NH2
Authors:Narula, S.S., Yuan, R.W., Adams, S.E., Green, O.M., Green, J., Phillips, T.B., Zydowsky, L.D., Botfield, M.C., Hatada, M.H., Laird, E.R., Zoller, M.J., Karas, J.L., Dalgarno, D.C.
Deposit date:1995-10-03
Release date:1996-11-08
Last modified:2012-02-22
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal SH2 domain of the human tyrosine kinase Syk complexed with a phosphotyrosine pentapeptide.
Structure, 3, 1995
1ZS3
  • Download 1zs3
  • View 1zs3
Molmil generated image of 1zs3
THE CRYSTAL STRUCTURE OF THE LACTOCOCCUS LACTIS MG1363 DPSB PROTEIN
Descriptor:Lactococcus lactis MG1363 DpsA
Authors:Stillman, T.J., Upadhyay, M., Norte, V.A., Sedelnikova, S.E., Carradus, M., Tzokov, S., Bullough, P.A., Shearman, C.A., Gasson, M.J., Williams, C.H., Artymiuk, P.J., Green, J.
Deposit date:2005-05-23
Release date:2005-08-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structures of Lactococcus lactis MG1363 Dps proteins reveal the presence of an N-terminal helix that is required for DNA binding.
Mol.Microbiol., 57, 2005
1ZUJ
  • Download 1zuj
  • View 1zuj
Molmil generated image of 1zuj
THE CRYSTAL STRUCTURE OF THE LACTOCOCCUS LACTIS MG1363 DPSA PROTEIN
Descriptor:hypothetical protein Llacc01001955
Authors:Stillman, T.J., Upadhyay, M., Norte, V.A., Sedelnikova, S.E., Carradus, M., Tzokov, S., Bullough, P.A., Shearman, C.A., Gasson, M.J., Williams, C.H., Artymiuk, P.J., Green, J.
Deposit date:2005-05-31
Release date:2005-08-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structures of Lactococcus lactis MG1363 Dps proteins reveal the presence of an N-terminal helix that is required for DNA binding.
Mol.Microbiol., 57, 2005
5LBM
  • Download 5lbm
  • View 5lbm
Molmil generated image of 5lbm
THE ASYMMETRIC TETRAMERIC STRUCTURE OF THE FORMALDEHYDE SENSING TRANSCRIPTIONAL REPRESSOR FRMR FROM ESCHERICHIA COLI
Descriptor:Transcriptional repressor FrmR, FORMYL GROUP
Authors:Bisson, C., Baker, P.J., Green, J., Chivers, P.T.
Deposit date:2016-06-16
Release date:2016-12-21
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The mechanism of a formaldehyde-sensing transcriptional regulator.
Sci Rep, 6, 2016
7HVP
  • Download 7hvp
  • View 7hvp
Molmil generated image of 7hvp
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR
Descriptor:HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365)
Authors:Swain, A.L., Miller, M.M., Green, J., Rich, D.H., Schneider, J., Kent, S.B.H., Wlodawer, A.
Deposit date:1990-09-13
Release date:1993-07-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor.
Proc.Natl.Acad.Sci.USA, 87, 1990
2OQ1
  • Download 2oq1
  • View 2oq1
Molmil generated image of 2oq1
TANDEM SH2 DOMAINS OF ZAP-70 WITH 19-MER ZETA1 PEPTIDE
Descriptor:Tyrosine-protein kinase ZAP-70, T-cell surface glycoprotein CD3 zeta chain, LEAD (II) ION
Authors:Hatada, M.H., Laird, E.R., Green, J., Morgenstern, J., Ram, M.K.
Deposit date:2007-01-30
Release date:2007-03-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for the interaction of ZAP-70 with the T-cell receptor
Nature, 377, 1995
1L5J
  • Download 1l5j
  • View 1l5j
Molmil generated image of 1l5j
CRYSTAL STRUCTURE OF E. COLI ACONITASE B.
Descriptor:Aconitate hydratase 2, ACONITATE ION, FE3-S4 CLUSTER
Authors:Williams, C.H., Stillman, T.J., Barynin, V.V., Sedelnikova, S.E., Tang, Y., Green, J., Guest, J.R., Artymiuk, P.J.
Deposit date:2002-03-07
Release date:2002-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:E. coli aconitase B structure reveals a HEAT-like domain with implications for protein-protein recognition.
Nat.Struct.Biol., 9, 2002
1QOY
  • Download 1qoy
  • View 1qoy
Molmil generated image of 1qoy
E.COLI HEMOLYSIN E (HLYE, CLYA, SHEA)
Descriptor:HEMOLYSIN E, SULFATE ION
Authors:Wallace, A.J., Stillman, T.J., Atkins, A., Jamieson, S.J., Bullough, P.A., Green, J., Artymiuk, P.J.
Deposit date:1999-11-25
Release date:2000-01-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:E. Coli Hemolysin E (Hlye, Clya, Shea): X-Ray Crystal Structure of the Toxin and Observation of Membrane Pores by Electron Microscopy
Cell(Cambridge,Mass.), 100, 2000
2OT5
  • Download 2ot5
  • View 2ot5
Molmil generated image of 2ot5
CRYSTAL STRUCTURE OF THE HIV GP41 CORE WITH THE ENFUVIRTIDE RESISTANCE MUTATION N43D
Descriptor:HIV-1 gp41 glycoprotein
Authors:Bai, X., Seedorff, J.E., Green, J., Dwyer, J.J.
Deposit date:2007-02-07
Release date:2008-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Impact of the enfuvirtide resistance mutation N43D and the associated baseline polymorphism E137K on peptide sensitivity and six-helix bundle structure.
Biochemistry, 47, 2008
5OAY
  • Download 5oay
  • View 5oay
Molmil generated image of 5oay
M. TUBERCULOSIS [4FE-4S] PROTEIN WHIB1 IS A FOUR-HELIX BUNDLE THAT FORMS A NO-SENSITIVE COMPLEX WITH SIGMAA AND REGULATES THE MAJOR VIRULENCE FACTOR ESX-1
Descriptor:Transcriptional regulator WhiB1, IRON/SULFUR CLUSTER
Authors:Williamson, M.P., Green, J., Hounslow, A.M.
Deposit date:2017-06-25
Release date:2018-01-03
Last modified:2018-01-10
Method:SOLUTION NMR
Cite:Structure of a Wbl protein and implications for NO sensing by M. tuberculosis.
Nat Commun, 8, 2017
4YVE
  • Download 4yve
  • View 4yve
Molmil generated image of 4yve
ROCK 1 BOUND TO METHOXYPHENYL THIAZOLE INHIBITOR
Descriptor:Rho-associated protein kinase 1, 2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
Authors:Jacobs, M.D.
Deposit date:2015-03-19
Release date:2015-06-10
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
4YVC
  • Download 4yvc
  • View 4yvc
Molmil generated image of 4yvc
ROCK 1 BOUND TO THIAZOLE INHIBITOR
Descriptor:Rho-associated protein kinase 1, 2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide
Authors:Jacobs, M.D.
Deposit date:2015-03-19
Release date:2015-06-10
Last modified:2015-07-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
5BML
  • Download 5bml
  • View 5bml
Molmil generated image of 5bml
ROCK 1 BOUND TO A PYRIDINE THIAZOLE INHIBITOR
Descriptor:Rho-associated protein kinase 1, N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide
Authors:Jacobs, M.D.
Deposit date:2015-05-22
Release date:2015-06-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
2OJG
  • Download 2ojg
  • View 2ojg
Molmil generated image of 2ojg
CRYSTAL STRUCTURE OF ERK2 IN COMPLEX WITH N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
Authors:Xie, X., Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJI
  • Download 2oji
  • View 2oji
Molmil generated image of 2oji
CRYSTAL STRUCTURE OF ERK2 IN COMPLEX WITH N-BENZYL-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
Authors:Xie, X., Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJJ
  • Download 2ojj
  • View 2ojj
Molmil generated image of 2ojj
CRYSTAL STRUCTURE OF ERK2 IN COMPLEX WITH (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
Authors:Xie, X., Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OK1
  • Download 2ok1
  • View 2ok1
Molmil generated image of 2ok1
CRYSTAL STRUCTURE OF JNK3 BOUND TO N-BENZYL-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
Descriptor:Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
Authors:Xie, X., Jacobs, M.D.
Deposit date:2007-01-15
Release date:2007-02-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
3I4B
  • Download 3i4b
  • View 3i4b
Molmil generated image of 3i4b
CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH A PYRIMIDYLPYRROLE INHIBITOR
Descriptor:Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
Authors:Ter Haar, E.
Deposit date:2009-07-01
Release date:2010-01-12
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3I5Z
  • Download 3i5z
  • View 3i5z
Molmil generated image of 3i5z
CRYSTAL STRUCTURE OF ERK2 BOUND TO (S)-N-(2-HYDROXY-1-PHENYLETHYL)-4-(5-METHYL-2-(PHENYLAMINO)PYRIMIDIN-4-YL)-1H-PYRROLE-2-CARBOXAMIDE
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
Authors:Jacobs, M.D., Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3I60
  • Download 3i60
  • View 3i60
Molmil generated image of 3i60
CRYSTAL STRUCTURE OF ERK2 BOUND TO (S)-4-(2-(2-CHLOROPHENYLAMINO)-5-METHYLPYRIMIDIN-4-YL)-N-(2-HYDROXY-1-PHENYLETHYL)-1H-PYRROLE-2-CARBOXAMIDE
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
Authors:Jacobs, M.D., Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3G90
  • Download 3g90
  • View 3g90
Molmil generated image of 3g90
JNK-3 BOUND TO (Z)-5-FLUORO-1-((6-FLUORO-4H-BENZO[D][1,3]DIOXIN-8-YL)METHYL)-3-(HYDROXYIMINO)INDOLIN-2-ONE
Descriptor:Mitogen-activated protein kinase 10, (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime
Authors:Xie, X., Jacobs, M.D.
Deposit date:2009-02-12
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3G9L
  • Download 3g9l
  • View 3g9l
Molmil generated image of 3g9l
JNK3 BOUND TO (Z)-1-((6-FLUORO-4H-BENZO[D][1,3]DIOXIN-8-YL)METHYL)-3-(HYDROXYIMINO)-4-STYRYLINDOLIN-2-ONE
Descriptor:Mitogen-activated protein kinase 10, (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-04-28
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3G9N
  • Download 3g9n
  • View 3g9n
Molmil generated image of 3g9n
JNK3 BOUND TO (Z)-1-((6-FLUORO-4H-BENZO[D][1,3]DIOXIN-8-YL)METHYL)-3-(HYDROXYIMINO)-4-PHENYLINDOLIN-2-ONE
Descriptor:Mitogen-activated protein kinase 10, (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-02-24
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3L1S
  • Download 3l1s
  • View 3l1s
Molmil generated image of 3l1s
3-ARYL-4-(ARYLHYDRAZONO)-1H-PYRAZOL-5-ONES: HIGHLY LIGAND EFFICIENT AND POTENT INHIBITORS OF GSK3
Descriptor:Glycogen synthase kinase-3 beta, (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one, PHOSPHATE ION
Authors:Haar, T.E.
Deposit date:2009-12-14
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3beta.
Bioorg.Med.Chem.Lett., 20, 2010
<12>