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1GD1
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STRUCTURE OF HOLO-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS AT 1.8 ANGSTROMS RESOLUTION
Descriptor:HOLO-D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, SULFATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Skarzynski, T., Moody, P.C.E., Wonacott, A.J.
Deposit date:1987-06-22
Release date:1988-01-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of holo-glyceraldehyde-3-phosphate dehydrogenase from Bacillus stearothermophilus at 1.8 A resolution.
J.Mol.Biol., 193, 1987
2GD1
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COENZYME-INDUCED CONFORMATIONAL CHANGES IN GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILLUS
Descriptor:APO-D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, SULFATE ION
Authors:Skarzynski, T., Wonacott, A.J.
Deposit date:1989-06-29
Release date:1989-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Coenzyme-induced conformational changes in glyceraldehyde-3-phosphate dehydrogenase from Bacillus stearothermophilus.
J.Mol.Biol., 203, 1988
1A2N
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STRUCTURE OF THE C115A MUTANT OF MURA COMPLEXED WITH THE FLUORINATED ANALOG OF THE REACTION TETRAHEDRAL INTERMEDIATE
Descriptor:UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL-3-FLUORO-2-PHOSPHONOOXY)PROPIONIC ACID
Authors:Skarzynski, T.
Deposit date:1998-01-06
Release date:1998-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Stereochemical course of enzymatic enolpyruvyl transfer and catalytic conformation of the active site revealed by the crystal structure of the fluorinated analogue of the reaction tetrahedral intermediate bound to the active site of the C115A mutant of MurA
Biochemistry, 37, 1998
1DTX
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CRYSTAL STRUCTURE OF ALPHA-DENDROTOXIN FROM THE GREEN MAMBA VENOM AND ITS COMPARISON WITH THE STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor:ALPHA-DENDROTOXIN, SULFATE ION
Authors:Skarzynski, T.
Deposit date:1991-04-29
Release date:1992-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of alpha-dendrotoxin from the green mamba venom and its comparison with the structure of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 224, 1992
1GQQ
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MURC - CRYSTAL STRUCTURE OF THE APO-ENZYME FROM HAEMOPHILUS INFLUENZAE
Descriptor:UDP-N-ACETYLMURAMATE-L-ALANINE LIGASE
Authors:Skarzynski, T., Cleasby, A., Domenici, E., Gevi, M., Shaw, J.
Deposit date:2001-12-03
Release date:2003-06-15
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures of Udp-N-Acetylmuramate-L-Alanine Ligase (Murc) from Haemophilus Influenzae
To be Published
1GQY
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MURC - CRYSTAL STRUCTURE OF THE ENZYME FROM HAEMOPHILUS INFLUENZAE COMPLEXED WITH AMPPCP
Descriptor:UDP-N-ACETYLMURAMATE-L-ALANINE LIGASE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, MAGNESIUM ION
Authors:Skarzynski, T., Cleasby, A., Domenici, E., Gevi, M., Shaw, J.
Deposit date:2001-12-06
Release date:2003-06-13
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Udp-N-Acetylmuramate-L-Alanine Ligase (Murc) from Haemophilus Influenzae
To be Published
1UAE
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STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE
Descriptor:UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid
Authors:Skarzynski, T.
Deposit date:1996-09-30
Release date:1997-09-04
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of UDP-N-acetylglucosamine enolpyruvyl transferase, an enzyme essential for the synthesis of bacterial peptidoglycan, complexed with substrate UDP-N-acetylglucosamine and the drug fosfomycin.
Structure, 4, 1996
1RTL
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN: NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND PYRROLIDINE-5,5-TRANSLACTAM INHIBITOR
Descriptor:NS3 protease/helicase, NS4A COFACTOR, ZINC ION, ...
Authors:Skarzynski, T., Somers, D.O.N.
Deposit date:2003-12-10
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Pyrrolidine-5,5-trans-lactams. 4. Incorporation of a P3/P4 urea leads to potent intracellular inhibitors of hepatitis C virus NS3/4A protease
Org.Lett., 5, 2003
1HV7
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH GW311616A
Descriptor:ELASTASE 1, SULFATE ION, N-[2-(1-FORMYL-2-METHYL-PROPYL)-1-(4-PIPERIDIN-1-YL-BUT-2-ENOYL)-PYRROLIDIN-3-YL]-METHANESULFONAMIDE
Authors:Skarzynski, T., Singh, O.M.
Deposit date:2001-01-08
Release date:2001-01-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate
Bioorg.Med.Chem.Lett., 11, 2001
1DUH
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CRYSTAL STRUCTURE OF THE CONSERVED DOMAIN IV OF E. COLI 4.5S RNA
Descriptor:4.5S RNA DOMAIN IV, LUTETIUM (III) ION, MAGNESIUM ION, ...
Authors:Jovine, L., Hainzl, T., Oubridge, C., Scott, W.G., Li, J., Sixma, T.K., Wonacott, A., Skarzynski, T., Nagai, K.
Deposit date:2000-01-17
Release date:2000-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the ffh and EF-G binding sites in the conserved domain IV of Escherichia coli 4.5S RNA.
Structure Fold.Des., 8, 2000
1A4G
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INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH ZANAMIVIR
Descriptor:NEURAMINIDASE, N-ACETYL-D-GLUCOSAMINE, CALCIUM ION, ...
Authors:Cleasby, A., Singh, O., Skarzynski, T., Wonacott, A.J.
Deposit date:1998-01-29
Release date:1999-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B.
J.Med.Chem., 41, 1998
1A4Q
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INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH DIHYDROPYRAN-PHENETHYL-PROPYL-CARBOXAMIDE
Descriptor:NEURAMINIDASE, N-ACETYL-D-GLUCOSAMINE, CALCIUM ION, ...
Authors:Cleasby, A., Singh, O., Skarzynski, T., Wonacott, A.J.
Deposit date:1998-01-30
Release date:1999-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B.
J.Med.Chem., 41, 1998
1N1L
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X)
Descriptor:HCV NS3 SERINE PROTEASE, NS4A COFACTOR, ZINC ION, ...
Authors:Andrews, D.M., Chaignot, H., Coomber, B.A., Good, A.C., Hind, S.L., Jones, P.S., Mill, G., Robinson, J.E., Skarzynski, T., Slater, M.J., Somers, D.O.N.
Deposit date:2002-10-18
Release date:2003-10-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyrrolidine-5,5-trans-lactams. 2. The use of X-ray Crystal Structure Data in the Optimisation of P3 and P4 Substituents
Org.Lett., 4, 2002
1PMI
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CANDIDA ALBICANS PHOSPHOMANNOSE ISOMERASE
Descriptor:PHOSPHOMANNOSE ISOMERASE, ZINC ION
Authors:Cleasby, A., Skarzynski, T., Wonacott, A., Davies, G.J., Hubbard, R.E., Proudfoot, A.E.I., Wells, T.N.C., Payton, M.A., Bernard, A.R.
Deposit date:1996-04-03
Release date:1997-03-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The x-ray crystal structure of phosphomannose isomerase from Candida albicans at 1.7 angstrom resolution.
Nat.Struct.Biol., 3, 1996
2Z2C
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MURA INHIBITED BY UNAG-CNICIN ADDUCT
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-5'-DIPHOSPHATE, 2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
Authors:Steinbach, A., Skarzynski, T., Scheidig, A.J., Klein, C.D.
Deposit date:2007-05-17
Release date:2008-05-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Antibacterial Target Enzyme Mura Synthesizes its Own Non-Covalent Suicide Inhibitor from the Natural Product Cnicin
To be Published
4BF2
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CRYSTAL STRUCTURES OF ASK1-INHIBITOR COMPLEXES
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, STAUROSPORINE, GLYCEROL, ...
Authors:Singh, O., Shillings, A., Craggs, P., Wall, I., Rowland, P., Skarzynski, T., Hobbs, C.I., Hardwick, P., Tanner, R., Blunt, M., Witty, D.R., Smith, K.J.
Deposit date:2013-03-13
Release date:2013-07-03
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
4BHN
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CRYSTAL STRUCTURES OF ASK1-INHIBITOR COMPLEXES
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, 4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide, GLYCEROL
Authors:Singh, O., Shillings, A., Craggs, P., Wall, I., Rowland, P., Skarzynski, T., Hobbs, C.I., Hardwick, P., Tanner, R., Blunt, M., Witty, D.R., Smith, K.J.
Deposit date:2013-04-04
Release date:2013-07-03
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
4BIB
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CRYSTAL STRUCTURES OF ASK1-INHIBITOR COMPLEXES
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, 3-cyano-4-(piperidin-4-yloxy)-1H-indole-7-carboxamide, GLYCEROL, ...
Authors:Singh, O., Shillings, A., Craggs, P., Wall, I., Rowland, P., Skarzynski, T., Hobbs, C.I., Hardwick, P., Tanner, R., Blunt, M., Witty, D.R., Smith, K.J.
Deposit date:2013-04-10
Release date:2013-07-03
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
4BIC
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CRYSTAL STRUCTURES OF ASK1-INHIBITOR COMPLEXES
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide, GLYCEROL
Authors:Singh, O., Shillings, A., Craggs, P., Wall, I., Rowland, P., Skarzynski, T., Hobbs, C.I., Hardwick, P., Tanner, R., Blunt, M., Witty, D.R., Smith, K.J.
Deposit date:2013-04-10
Release date:2013-07-03
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
4BID
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CRYSTAL STRUCTURES OF ASK1-INHIBITOR COMPLEXES
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, ACETATE ION, 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine
Authors:Singh, O., Shillings, A., Craggs, P., Wall, I., Rowland, P., Skarzynski, T., Hobbs, C.I., Hardwick, P., Tanner, R., Blunt, M., Witty, D.R., Smith, K.J.
Deposit date:2013-04-10
Release date:2013-07-03
Last modified:2013-08-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
4BIE
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CRYSTAL STRUCTURES OF ASK1-INHIBITOR COMPLEXES
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, GLYCEROL, N-(2-aminoethyl)-5-{2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide
Authors:Singh, O., Shillings, A., Craggs, P., Wall, I., Rowland, P., Skarzynski, T., Hobbs, C.I., Hardwick, P., Tanner, R., Blunt, M., Witty, D.R., Smith, K.J.
Deposit date:2013-04-10
Release date:2013-07-03
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
1FBL
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STRUCTURE OF FULL-LENGTH PORCINE SYNOVIAL COLLAGENASE (MMP1) REVEALS A C-TERMINAL DOMAIN CONTAINING A CALCIUM-LINKED, FOUR-BLADED BETA-PROPELLER
Descriptor:FIBROBLAST (INTERSTITIAL) COLLAGENASE (MMP-1), CALCIUM ION, ZINC ION, ...
Authors:Li, J., Brick, P., Blow, D.M.
Deposit date:1995-04-24
Release date:1996-01-29
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of full-length porcine synovial collagenase reveals a C-terminal domain containing a calcium-linked, four-bladed beta-propeller.
Structure, 3, 1995
1AJ6
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NOVOBIOCIN-RESISTANT MUTANT (R136H) OF THE N-TERMINAL 24 KDA FRAGMENT OF DNA GYRASE B COMPLEXED WITH NOVOBIOCIN AT 2.3 ANGSTROMS RESOLUTION
Descriptor:GYRASE, NOVOBIOCIN
Authors:Weston, S.A., Tunnicliffe, A., Pauptit, R.A.
Deposit date:1997-05-15
Release date:1998-05-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study.
Biochemistry, 36, 1997
1BJI
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THE X-RAY STRUCTURE OF A COMPLEX OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE COMPLEXED WITH THE GLAXO 6-CARBOXAMIDE SIALIC ACID ANALOGUE GR217029
Descriptor:NEURAMINIDASE, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Varghese, J.N.
Deposit date:1997-12-03
Release date:1998-06-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B.
J.Med.Chem., 41, 1998
2JC0
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB655264
Descriptor:RNA-DEPENDENT RNA-POLYMERASE, (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID
Authors:Wonacott, A., Skarzynski, T., Singh, O.M.
Deposit date:2006-12-18
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
J.Med.Chem., 50, 2007
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