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3SRK
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BU of 3srk by Molmil
A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, POTASSIUM ION, Pyruvate kinase, ...
Authors:Morgan, H.P, Walsh, M, Blackburn, E.A, Wear, M.A, Boxer, M, Shen, M, McNae, I.W, Michels, P.A.M, Auld, D.S, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-07-07
Release date:2012-07-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase
To be Published
3BJH
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BU of 3bjh by Molmil
Soft-SAD crystal structure of a pheromone binding protein from the honeybee Apis mellifera L.
Descriptor: GLYCEROL, N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1
Authors:Lartigue, A, Gruez, A, Briand, L, Blon, F, Bezirard, V, Walsh, M, Pernollet, J.C, Tegoni, M, Cambillau, C.
Deposit date:2007-12-04
Release date:2007-12-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Sulfur single-wavelength anomalous diffraction crystal structure of a pheromone-binding protein from the honeybee Apis mellifera L.
J.Biol.Chem., 279, 2004
1DY9
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Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor I)
Descriptor: N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ...
Authors:Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M.
Deposit date:2000-01-31
Release date:2001-01-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
1DXP
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BU of 1dxp by Molmil
Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (apo structure)
Descriptor: GLYCEROL, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ...
Authors:Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M.
Deposit date:2000-01-13
Release date:2001-01-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
1DY8
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Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor II)
Descriptor: N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70)
Authors:Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M.
Deposit date:2000-01-31
Release date:2001-01-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
4YW4
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BU of 4yw4 by Molmil
Streptococcus pneumoniae sialidase NanC
Descriptor: GLYCEROL, Neuraminidase C, PHOSPHATE ION
Authors:Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L.
Deposit date:2015-03-20
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a novel sialidase
To be published
1SFK
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BU of 1sfk by Molmil
Core (C) protein from West Nile Virus, subtype Kunjin
Descriptor: CALCIUM ION, CHLORIDE ION, Core protein, ...
Authors:Dokland, T, Walsh, M, Mackenzie, J.M, Khromykh, A.A, Ee, K.-H, Wang, S.
Deposit date:2004-02-19
Release date:2004-08-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:West nile virus core protein; tetramer structure and ribbon formation
Structure, 12, 2004
1UW7
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BU of 1uw7 by Molmil
Nsp9 protein from SARS-coronavirus.
Descriptor: NSP9
Authors:Sutton, G, Fry, E, Carter, L, Sainsbury, S, Walter, T, Nettleship, J, Berrow, N, Owens, R, Gilbert, R, Davidson, A, Siddell, S, Poon, L.L.M, Diprose, J, Alderton, D, Walsh, M, Grimes, J.M, Stuart, D.I.
Deposit date:2004-01-30
Release date:2004-02-20
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Nsp9 Replicase Protein of Sars-Coronavirus, Structure and Functional Insights
Structure, 12, 2004
1C7F
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BU of 1c7f by Molmil
D95E OXIDIZED FLAVODOXIN MUTANT FROM D. VULGARIS
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:McCarthy, A, Walsh, M, Higgins, T, D'Arcy, D.
Deposit date:2000-02-11
Release date:2000-08-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin
Biochemistry, 41, 2002
1C7E
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BU of 1c7e by Molmil
D95E HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:McCarthy, A, Walsh, M, Higgins, T, D'Arcy, D.
Deposit date:2000-02-16
Release date:2000-08-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin
Biochemistry, 41, 2002
1AKU
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BU of 1aku by Molmil
D95A HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION
Authors:Mccarthy, A, Walsh, M, Higgins, T.
Deposit date:1997-05-27
Release date:1998-12-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin.
Biochemistry, 41, 2002
1AKQ
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BU of 1akq by Molmil
D95A OXIDIZED FLAVODOXIN MUTANT FROM D. VULGARIS
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Mccarthy, A, Walsh, M, Higgins, T.
Deposit date:1997-03-27
Release date:1998-12-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin.
Biochemistry, 41, 2002
1AKV
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BU of 1akv by Molmil
D95A SEMIQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION
Authors:Mccarthy, A, Walsh, M, Higgins, T.
Deposit date:1997-05-27
Release date:1998-12-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin.
Biochemistry, 41, 2002
1AKT
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BU of 1akt by Molmil
G61N OXIDIZED FLAVODOXIN MUTANT
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Mccarthy, A, Walsh, M, Higgins, T.
Deposit date:1997-05-27
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants.
Biochemistry, 37, 1998
1AKR
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BU of 1akr by Molmil
G61A OXIDIZED FLAVODOXIN MUTANT
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Mccarthy, A, Walsh, M, Higgins, T.
Deposit date:1997-05-27
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants.
Biochemistry, 37, 1998
1AKW
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BU of 1akw by Molmil
G61L OXIDIZED FLAVODOXIN MUTANT
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Mccarthy, A, Walsh, M, Higgins, T.
Deposit date:1997-05-27
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants.
Biochemistry, 37, 1998
4X3K
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BU of 4x3k by Molmil
Crystal structure of chromobox homolog 7 (CBX7) chromodomain with H3K27me3 peptide
Descriptor: Chromobox protein homolog 7, H3K27me3 peptide, NICKEL (II) ION, ...
Authors:Ren, C, Zhou, M.M.
Deposit date:2014-12-01
Release date:2015-03-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
4X3U
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BU of 4x3u by Molmil
Crystal structure of chromobox homolog 7 (CBX7) chromodomain with Suramin
Descriptor: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Chromobox protein homolog 7
Authors:Ren, C, Zhou, M.M.
Deposit date:2014-12-01
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
5FRK
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BU of 5frk by Molmil
SeMet crystal structure of Erwinia amylovora AmyR amylovoran repressor, a member of the YbjN protein family
Descriptor: AMYR
Authors:Bartho, J.D, Bellini, D, Wuerges, J, Demitri, N, Walsh, M, Benini, S.
Deposit date:2015-12-18
Release date:2017-02-15
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions.
PLoS ONE, 12, 2017
5FR7
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BU of 5fr7 by Molmil
Erwinia amylovora AmyR amylovoran repressor, a member of the YbjN protein family
Descriptor: AMYR
Authors:Bartho, J.D, Bellini, D, Wuerges, J, Demitri, N, Walsh, M, Benini, S.
Deposit date:2015-12-16
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions.
PLoS ONE, 12, 2017
7PMO
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BU of 7pmo by Molmil
Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
Deposit date:2021-09-02
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
7Q20
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BU of 7q20 by Molmil
Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) in complex with blood group A trisaccharide
Descriptor: CALCIUM ION, MAGNESIUM ION, Ruminococcus gnavus endogalactosidase GH98, ...
Authors:Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
Deposit date:2021-10-22
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
7Q1W
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BU of 7q1w by Molmil
Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
Authors:Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
Deposit date:2021-10-21
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
5F9T
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Crystal Structure of Streptococcus pneumoniae NanC, covalent complex with a fluorinated Neu5Ac derivative
Descriptor: (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, GLYCEROL, ...
Authors:Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L.
Deposit date:2015-12-10
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
4B7H
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Structure of a highdose liganded bacterial catalase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CATALASE, CHLORIDE ION, ...
Authors:Gumiero, A, Walsh, M.
Deposit date:2012-08-20
Release date:2013-08-28
Last modified:2014-04-23
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A Structural and Dynamic Investigation of the Inhibition of Catalase by Nitric Oxide.
Org.Biomol.Chem., 11, 2013

 

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