Author results

1GBQ
  • Download 1gbq
  • View 1gbq
Molmil generated image of 1gbq
SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, MINIMIZED AVERAGE STRUCTURE
Descriptor:GRB2, SOS-1
Authors:Wittekind, M., Mapelli, C., Lee, V., Goldfarb, V., Friedrichs, M.S., Meyers, C.A., Mueller, L.
Deposit date:1996-12-23
Release date:1997-09-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
2GBQ
  • Download 2gbq
  • View 2gbq
Molmil generated image of 2gbq
SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, 15 STRUCTURES
Descriptor:GRB2, SOS-1
Authors:Wittekind, M., Mapelli, C., Lee, V., Goldfarb, V., Friedrichs, M.S., Meyers, C.A., Mueller, L.
Deposit date:1996-12-23
Release date:1997-09-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
3GBQ
  • Download 3gbq
  • View 3gbq
Molmil generated image of 3gbq
SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, MINIMIZED AVERAGE STRUCTURE
Descriptor:GRB2, SOS-1
Authors:Wittekind, M., Mapelli, C., Lee, V., Goldfarb, V., Friedrichs, M.S., Meyers, C.A., Mueller, L.
Deposit date:1996-12-23
Release date:1997-09-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
4GBQ
  • Download 4gbq
  • View 4gbq
Molmil generated image of 4gbq
SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, 15 STRUCTURES
Descriptor:GRB2, SOS-1
Authors:Wittekind, M., Mapelli, C., Lee, V., Goldfarb, V., Friedrichs, M.S., Meyers, C.A., Mueller, L.
Deposit date:1996-12-23
Release date:1997-09-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
1GBR
  • Download 1gbr
  • View 1gbr
Molmil generated image of 1gbr
ORIENTATION OF PEPTIDE FRAGMENTS FROM SOS PROTEINS BOUND TO THE N-TERMINAL SH3 DOMAIN OF GRB2 DETERMINED BY NMR SPECTROSCOPY
Descriptor:GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, SOS-A PEPTIDE
Authors:Wittekind, M., Mapelli, C., Farmer, B.T., Suen, K.-L., Goldfarb, V., Tsao, J., Lavoie, T., Barbacid, M., Meyers, C.A., Mueller, L.
Deposit date:1994-08-12
Release date:1995-01-26
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Orientation of peptide fragments from Sos proteins bound to the N-terminal SH3 domain of Grb2 determined by NMR spectroscopy.
Biochemistry, 33, 1994
1MAJ
  • Download 1maj
  • View 1maj
Molmil generated image of 1maj
SOLUTION STRUCTURE OF AN ISOLATED ANTIBODY VL DOMAIN
Descriptor:IGG2A-KAPPA 26-10 FV (LIGHT CHAIN)
Authors:Constantine, K.L., Friedrichs, M.S., Metzler, W.J., Wittekind, M., Hensley, P., Mueller, L.
Deposit date:1993-09-16
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of an isolated antibody VL domain.
J.Mol.Biol., 236, 1994
1MAK
  • Download 1mak
  • View 1mak
Molmil generated image of 1mak
SOLUTION STRUCTURE OF AN ISOLATED ANTIBODY VL DOMAIN
Descriptor:IGG2A-KAPPA 26-10 FV (LIGHT CHAIN)
Authors:Constantine, K.L., Friedrichs, M.S., Metzler, W.J., Wittekind, M., Hensley, P., Mueller, L.
Deposit date:1993-09-16
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of an isolated antibody VL domain.
J.Mol.Biol., 236, 1994
3QCB
  • Download 3qcb
  • View 3qcb
Molmil generated image of 3qcb
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, APO
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCC
  • Download 3qcc
  • View 3qcc
Molmil generated image of 3qcc
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH VANADATE, ORTHORHOMBIC CRYSTAL FORM
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCD
  • Download 3qcd
  • View 3qcd
Molmil generated image of 3qcd
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH VANADATE, TRIGONAL CRYSTAL FORM
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION, ACETIC ACID
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCE
  • Download 3qce
  • View 3qce
Molmil generated image of 3qce
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 3-[(3,4-DICHLOROBENZYL)SULFANYL]THIOPHENE-2-CARBOXYLIC ACID VIA SOAKING
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid, SULFATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCF
  • Download 3qcf
  • View 3qcf
Molmil generated image of 3qcf
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 3-[(3,4-DICHLOROBENZYL)SULFANYL]THIOPHENE-2-CARBOXYLIC ACID VIA CO-CRYSTALLIZATION
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid, SULFATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCG
  • Download 3qcg
  • View 3qcg
Molmil generated image of 3qcg
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 3-[(3-BROMO-4-CHLOROBENZYL)SULFANYL]THIOPHENE-2-CARBOXYLIC ACID
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid, ACETIC ACID
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCH
  • Download 3qch
  • View 3qch
Molmil generated image of 3qch
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 3-[(3,4-DICHLOROBENZYL)SULFANYL]-N-(METHYLSULFONYL)THIOPHENE-2-CARBOXAMIDE
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCI
  • Download 3qci
  • View 3qci
Molmil generated image of 3qci
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH N-[(3-AMINOPHENYL)SULFONYL]-3-[(3,4-DICHLOROBENZYL)SULFANYL]THIOPHENE-2-CARBOXAMIDE
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCJ
  • Download 3qcj
  • View 3qcj
Molmil generated image of 3qcj
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 5-[({3-[(3,4-DICHLOROBENZYL)SULFANYL]THIOPHEN-2-YL}CARBONYL)SULFAMOYL]-2-METHOXYBENZOIC ACID
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCK
  • Download 3qck
  • View 3qck
Molmil generated image of 3qck
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 2-[(3,4-DICHLOROBENZYL)SULFANYL]BENZOIC ACID
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCL
  • Download 3qcl
  • View 3qcl
Molmil generated image of 3qcl
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 2-[(3,4-DICHLOROBENZYL)SULFANYL]-4-(4-HYDROXYBUT-1-YN-1-YL)BENZOIC ACID
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCM
  • Download 3qcm
  • View 3qcm
Molmil generated image of 3qcm
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, IN COMPLEX WITH 2-[(3,4-DICHLOROBENZYL)SULFANYL]-4-{[3-({N-[2-(METHYLAMINO)ETHYL]GLYCYL}AMINO)PHENYL]ETHYNYL}BENZOIC ACID
Descriptor:Receptor-type tyrosine-protein phosphatase gamma, 2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({N-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCN
  • Download 3qcn
  • View 3qcn
Molmil generated image of 3qcn
HUMAN RECEPTOR PROTEIN TYROSINE PHOSPHATASE GAMMA, DOMAIN 1, TRIGONAL CRYSTAL FORM
Descriptor:Receptor-type tyrosine-protein phosphatase gamma
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
2FXD
  • Download 2fxd
  • View 2fxd
Molmil generated image of 2fxd
X-RAY CRYSTAL STRUCTURE OF HIV-1 PROTEASE IRM MUTANT COMPLEXED WITH ATAZANAVIR (BMS-232632)
Descriptor:pol protein, SULFATE ION, ACETATE ION, ...
Authors:Klei, H.E., Sheriff, S.
Deposit date:2006-02-04
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir.
J.Virol., 81, 2007
2FXE
  • Download 2fxe
  • View 2fxe
Molmil generated image of 2fxe
X-RAY CRYSTAL STRUCTURE OF HIV-1 PROTEASE CRM MUTANT COMPLEXED WITH ATAZANAVIR (BMS-232632)
Descriptor:pol protein, SULFATE ION, ACETATE ION, ...
Authors:Sheriff, S., Klei, H.E.
Deposit date:2006-02-05
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir.
J.Virol., 81, 2007
2ICA
  • Download 2ica
  • View 2ica
Molmil generated image of 2ica
CD11A (LFA1) I-DOMAIN COMPLEXED WITH BMS-587101 AKA 5-[(5S, 9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID
Descriptor:Integrin alpha-L, 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID
Authors:Sheriff, S., Einspahr, H.
Deposit date:2006-09-12
Release date:2006-12-19
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1.
J.Med.Chem., 49, 2006
4KNV
  • Download 4knv
  • View 4knv
Molmil generated image of 4knv
THE CRYSTAL STRUCTURE OF APO HUMAN HDHD4 FROM SE-MAD
Descriptor:N-acylneuraminate-9-phosphatase, PHOSPHATE ION, MAGNESIUM ION
Authors:Klei, H.E.
Deposit date:2013-05-10
Release date:2013-06-26
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Bioorg.Med.Chem.Lett., 23, 2013
4KNW
  • Download 4knw
  • View 4knw
Molmil generated image of 4knw
THE CRYSTAL STRUCTURE OF HUMAN HDHD4 IN COMPLEX WITH MAGNESIUM AND THE PHOSPHATE MIMETIC VANADATE
Descriptor:N-acylneuraminate-9-phosphatase, VANADATE ION, MAGNESIUM ION
Authors:Klei, H.E.
Deposit date:2013-05-10
Release date:2013-06-26
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Bioorg.Med.Chem.Lett., 23, 2013
<12>