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2GD1
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BU of 2gd1 by Molmil
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:2024-02-14
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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BU of 1a2n by Molmil
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:2023-08-02
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
1GD1
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BU of 1gd1 by Molmil
STRUCTURE OF HOLO-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS AT 1.8 ANGSTROMS RESOLUTION
Descriptor: HOLO-D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Skarzynski, T, Moody, P.C.E, Wonacott, A.J.
Deposit date:1987-06-22
Release date:1988-01-16
Last modified:2023-09-06
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
1UAE
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BU of 1uae by Molmil
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:2024-02-14
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
1DTX
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BU of 1dtx by Molmil
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:2019-12-25
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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BU of 1gqq by Molmil
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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BU of 1gqy by Molmil
MURC - CRYSTAL STRUCTURE OF THE ENZYME FROM HAEMOPHILUS INFLUENZAE COMPLEXED WITH AMPPCP
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, UDP-N-ACETYLMURAMATE-L-ALANINE LIGASE
Authors:Skarzynski, T, Cleasby, A, Domenici, E, Gevi, M, Shaw, J.
Deposit date:2001-12-06
Release date:2003-06-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Udp-N-Acetylmuramate-L-Alanine Ligase (Murc) from Haemophilus Influenzae
To be Published
1RTL
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BU of 1rtl by Molmil
CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN: NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND PYRROLIDINE-5,5-TRANSLACTAM INHIBITOR
Descriptor: N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE, NS3 protease/helicase, NS4A COFACTOR, ...
Authors:Skarzynski, T, Somers, D.O.N.
Deposit date:2003-12-10
Release date:2004-12-14
Last modified:2021-10-27
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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BU of 1hv7 by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH GW311616A
Descriptor: ELASTASE 1, N-[2-(1-FORMYL-2-METHYL-PROPYL)-1-(4-PIPERIDIN-1-YL-BUT-2-ENOYL)-PYRROLIDIN-3-YL]-METHANESULFONAMIDE, SULFATE ION
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
1N1L
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BU of 1n1l by Molmil
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:2021-10-27
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
1DUH
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BU of 1duh by Molmil
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:2024-02-07
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
1PMI
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BU of 1pmi by Molmil
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:2024-02-14
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
1A4G
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BU of 1a4g by Molmil
INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH ZANAMIVIR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ...
Authors:Cleasby, A, Singh, O, Skarzynski, T, Wonacott, A.J.
Deposit date:1998-01-29
Release date:1999-03-02
Last modified:2023-08-02
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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BU of 1a4q by Molmil
INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH DIHYDROPYRAN-PHENETHYL-PROPYL-CARBOXAMIDE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID, CALCIUM ION, ...
Authors:Cleasby, A, Singh, O, Skarzynski, T, Wonacott, A.J.
Deposit date:1998-01-30
Release date:1999-03-02
Last modified:2023-08-02
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
4BIC
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BU of 4bic by Molmil
Crystal Structures of Ask1-inhibitor Complexes
Descriptor: GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-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:2023-12-20
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
4BHN
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BU of 4bhn by Molmil
Crystal Structures of Ask1-inhibitor Complexes
Descriptor: 4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5
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:2023-12-20
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
4BIE
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BU of 4bie by Molmil
Crystal Structures of Ask1-inhibitor Complexes
Descriptor: GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, 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:2023-12-20
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
4BF2
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BU of 4bf2 by Molmil
Crystal Structures of Ask1-inhibitor Complexes
Descriptor: ACETATE ION, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, ...
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:2023-12-20
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
4BID
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BU of 4bid by Molmil
Crystal Structures of Ask1-inhibitor Complexes
Descriptor: 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine, ACETATE ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5
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:2023-12-20
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
4BIB
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BU of 4bib by Molmil
Crystal Structures of Ask1-inhibitor Complexes
Descriptor: 3-cyano-4-(piperidin-4-yloxy)-1H-indole-7-carboxamide, ACETATE ION, 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:2023-12-20
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
2Z2C
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BU of 2z2c by Molmil
MURA inhibited by unag-cnicin adduct
Descriptor: 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Steinbach, A, Skarzynski, T, Scheidig, A.J, Klein, C.D.
Deposit date:2007-05-17
Release date:2008-05-20
Last modified:2023-11-01
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
1FBL
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BU of 1fbl by Molmil
STRUCTURE OF FULL-LENGTH PORCINE SYNOVIAL COLLAGENASE (MMP1) REVEALS A C-TERMINAL DOMAIN CONTAINING A CALCIUM-LINKED, FOUR-BLADED BETA-PROPELLER
Descriptor: CALCIUM ION, FIBROBLAST (INTERSTITIAL) COLLAGENASE (MMP-1), N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE, ...
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
3DBV
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BU of 3dbv by Molmil
GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE MUTANT WITH LEU 33 REPLACED BY THR, THR 34 REPLACED BY GLY, ASP 36 REPLACED BY GLY, LEU 187 REPLACED BY ALA, AND PRO 188 REPLACED BY SER COMPLEXED WITH NAD+
Descriptor: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Didierjean, C, Rahuel-Clermont, S, Vitoux, B, Dideberg, O, Branlant, G, Aubry, A.
Deposit date:1997-01-06
Release date:1997-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A crystallographic comparison between mutated glyceraldehyde-3-phosphate dehydrogenases from Bacillus stearothermophilus complexed with either NAD+ or NADP+.
J.Mol.Biol., 268, 1997
1AJ6
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BU of 1aj6 by Molmil
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:2024-02-07
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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BU of 1bji by Molmil
THE X-RAY STRUCTURE OF A COMPLEX OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE COMPLEXED WITH THE GLAXO 6-CARBOXAMIDE SIALIC ACID ANALOGUE GR217029
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID, CALCIUM ION, ...
Authors:Varghese, J.N.
Deposit date:1997-12-03
Release date:1998-06-03
Last modified:2020-07-29
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

 

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