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2GC8
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STRUCTURE OF A PROLINE SULFONAMIDE INHIBITOR BOUND TO HCV NS5B POLYMERASE
Descriptor:RNA-directed RNA polymerase, 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE
Authors:Gopalsamy, A., Chopra, R., Lim, K., Ciszewski, G., Shi, M., Curran, K.J., Sukits, S.F., Svenson, K., Bard, J., Ellingboe, J.W., Agarwal, A., Krishnamurthy, G., Howe, A.Y., Orlowski, M., Feld, B., O'connell, J., Mansour, T.S.
Deposit date:2006-03-13
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site.
J.Med.Chem., 49, 2006
1LDA
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CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) WITHOUT SUBSTRATE GLYCEROL
Descriptor:Glycerol uptake facilitator protein, B-OCTYLGLUCOSIDE
Authors:Nollert, P., Miercke, L.J.W., O'Connell, J., Stroud, R.M.
Deposit date:2002-04-08
Release date:2002-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Control of the selectivity of the aquaporin water channel family by global orientational tuning.
Science, 296, 2002
1LDF
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CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) MUTATION W48F, F200T
Descriptor:Glycerol uptake facilitator protein, B-OCTYLGLUCOSIDE, MAGNESIUM ION, ...
Authors:Nollert, P., Miercke, L.J.W., O'Connell, J., Stroud, R.M.
Deposit date:2002-04-08
Release date:2002-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Control of the selectivity of the aquaporin water channel family by global orientational tuning.
Science, 296, 2002
1LDI
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CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) WITHOUT SUBSTRATE GLYCEROL
Descriptor:Glycerol uptake facilitator protein, B-OCTYLGLUCOSIDE
Authors:Nollert, P., Miercke, L.J.W., O'Connell, J., Stroud, R.M.
Deposit date:2002-04-08
Release date:2002-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Control of the selectivity of the aquaporin water channel family by global orientational tuning.
Science, 296, 2002
1MZJ
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CRYSTAL STRUCTURE OF THE PRIMING BETA-KETOSYNTHASE FROM THE R1128 POLYKETIDE BIOSYNTHETIC PATHWAY
Descriptor:Beta-ketoacylsynthase III, COENZYME A, ACETYL GROUP
Authors:Pan, H., Tsai, S.C., Meadows, E.S., Miercke, L.J.W., Keatinge-Clay, A., O'Connell, J., Khosla, C., Stroud, R.M.
Deposit date:2002-10-08
Release date:2002-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the priming beta-ketosynthase from the R1128 polyketide biosynthetic pathway
Structure, 10
1RD4
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AN ALLOSTERIC INHIBITOR OF LFA-1 BOUND TO ITS I-DOMAIN
Descriptor:Integrin alpha-L, 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE
Authors:Crump, M.P., Ceska, T.A., Spyracopoulos, L., Henry, A., Archibald, S.C., Alexander, R., Taylor, R.J., Findlow, S.C., O'Connell, J., Robinson, M.K., Shock, A.
Deposit date:2003-11-05
Release date:2004-03-30
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of an allosteric inhibitor of LFA-1 bound to the I-domain studied by crystallography, NMR, and calorimetry
Biochemistry, 43, 2004
2CCX
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DETERMINATION OF THE NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF CARDIOTOXIN CTX IIB FROM NAJA MOSSAMBICA MOSSAMBICA
Descriptor:CARDIOTOXIN CTX IIB
Authors:O'Connell, J., Wuthrich, K.
Deposit date:1993-02-01
Release date:1994-01-31
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Determination of the nuclear-magnetic-resonance solution structure of cardiotoxin CTX IIb from Naja mossambica mossambica.
Eur.J.Biochem., 213, 1993
1HRI
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STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14
Descriptor:HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ...
Authors:Zhang, A., Nanni, R.G., Oren, D.A., Arnold, E.
Deposit date:1992-10-01
Release date:1993-10-31
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14.
J.Mol.Biol., 230, 1993
1EAH
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PV2L COMPLEXED WITH ANTIVIRAL AGENT SCH48973
Descriptor:POLIOVIRUS TYPE 2 COAT PROTEINS VP1 TO VP4, 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE, MYRISTIC ACID
Authors:Lentz, K., Arnold, E.
Deposit date:1997-07-22
Release date:1998-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of poliovirus type 2 Lansing complexed with antiviral agent SCH48973: comparison of the structural and biological properties of three poliovirus serotypes.
Structure, 5, 1997
2QE2
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STRUCTURE OF HCV NS5B BOUND TO AN ANTHRANILIC ACID INHIBITOR
Descriptor:RNA-directed RNA polymerase, 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID
Authors:Chopra, R., Svenson, K., Bard, J.
Deposit date:2007-06-22
Release date:2007-10-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
2QE5
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STRUCTURE OF HCV NS5B BOUND TO AN ANTHRANILIC ACID INHIBITOR
Descriptor:RNA-directed RNA polymerase, 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID
Authors:Chopra, R., Svenson, K., Bard, J.
Deposit date:2007-06-22
Release date:2007-10-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
3QCB
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
3C02
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X-RAY STRUCTURE OF THE AQUAGLYCEROPORIN FROM PLASMODIUM FALCIPARUM
Descriptor:Aquaglyceroporin, B-OCTYLGLUCOSIDE, GLYCEROL
Authors:Newby, Z.E., Stroud, R.M., Center for Structures of Membrane Proteins (CSMP)
Deposit date:2008-01-18
Release date:2008-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the aquaglyceroporin PfAQP from the malarial parasite Plasmodium falciparum.
Nat.Struct.Mol.Biol., 15, 2008
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