3LZT
 
 | | REFINEMENT OF TRICLINIC LYSOZYME AT ATOMIC RESOLUTION | | Descriptor: | ACETATE ION, LYSOZYME, NITRATE ION | | Authors: | Walsh, M.A, Schneider, T, Sieker, L.C, Dauter, Z, Lamzin, V, Wilson, K.S. | | Deposit date: | 1997-03-23 | | Release date: | 1998-03-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.925 Å) | | Cite: | Refinement of triclinic hen egg-white lysozyme at atomic resolution.
Acta Crystallogr.,Sect.D, 54, 1998
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4LZT
 | | ATOMIC RESOLUTION REFINEMENT OF TRICLINIC HEW LYSOZYME AT 295K | | Descriptor: | LYSOZYME, NITRATE ION | | Authors: | Walsh, M.A, Schneider, T, Sieker, L.C, Dauter, Z, Lamzin, V, Wilson, K.S. | | Deposit date: | 1997-03-31 | | Release date: | 1998-04-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Refinement of triclinic hen egg-white lysozyme at atomic resolution.
Acta Crystallogr.,Sect.D, 54, 1998
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1BU5
 | | X-RAY CRYSTAL STRUCTURE OF THE DESULFOVIBRIO VULGARIS (HILDENBOROUGH) APOFLAVODOXIN-RIBOFLAVIN COMPLEX | | Descriptor: | PROTEIN (FLAVODOXIN), RIBOFLAVIN, SULFATE ION | | Authors: | Walsh, M.A, Mccarthy, A, O'Farrell, P.A, Mccardle, P, Cunningham, P.D, Mayhew, S.G, Higgins, T.M. | | Deposit date: | 1998-09-12 | | Release date: | 1999-02-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | X-ray crystal structure of the Desulfovibrio vulgaris (Hildenborough) apoflavodoxin-riboflavin complex.
Eur.J.Biochem., 258, 1998
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1SRV
 | | THERMUS THERMOPHILUS GROEL (HSP60 CLASS) FRAGMENT (APICAL DOMAIN) COMPRISING RESIDUES 192-336 | | Descriptor: | PROTEIN (GROEL (HSP60 CLASS)) | | Authors: | Walsh, M.A, Dementieva, I, Evans, G, Sanishvili, R, Joachimiak, A. | | Deposit date: | 1999-03-02 | | Release date: | 1999-03-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Taking MAD to the extreme: ultrafast protein structure determination.
Acta Crystallogr.,Sect.D, 55, 1999
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1DW9
 | | Structure of cyanase reveals that a novel dimeric and decameric arrangement of subunits is required for formation of the enzyme active site | | Descriptor: | CHLORIDE ION, CYANATE LYASE, SULFATE ION | | Authors: | Walsh, M.A, Otwinowski, Z, Perrakis, A, Anderson, P.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 1999-12-03 | | Release date: | 2000-05-16 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of Cyanase Reveals that a Novel Dimeric and Decameric Arrangement of Subunits is Required for Formation of the Enzyme Active Site
Structure, 8, 2000
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1DWK
 | | STRUCTURE OF CYANASE WITH THE DI-ANION OXALATE BOUND AT THE ENZYME ACTIVE SITE | | Descriptor: | CYANATE HYDRATASE, OXALATE ION, SULFATE ION | | Authors: | Walsh, M.A, Otwinowski, Z, Perrakis, A, Anderson, P.M, Joachimiak, A. | | Deposit date: | 1999-12-07 | | Release date: | 2000-05-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of Cyanase Reveals that a Novel Dimeric and Decameric Arrangement of Subunits is Required for Formation of the Enzyme Active Site.
Structure, 8, 2000
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1AZL
 | | G61V FLAVODOXIN MUTANT FROM DESULFOVIBRIO VULGARIS | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Walsh, M.A, Mccarthy, A, O'Farrell, P.A, Voordouw, G, Higgins, T, Mayhew, S.G. | | Deposit date: | 1997-11-18 | | Release date: | 1998-05-20 | | Last modified: | 2024-04-03 | | 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
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8SNI
 | | Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations | | Descriptor: | (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, BENZOIC ACID, ... | | Authors: | Walsh, M.E, Greenberg, L.R, Kazlauskas, R.J, Pierce, C.T, Aihara, H, Evans, R.L, Shi, K. | | Deposit date: | 2023-04-27 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | To be published
To Be Published
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7Z4S
 | | Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids. | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A. | | Deposit date: | 2022-03-04 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease.
Nat.Chem., 15, 2023
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1EG2
 | | CRYSTAL STRUCTURE OF RHODOBACTER SPHEROIDES (N6 ADENOSINE) METHYLTRANSFERASE (M.RSRI) | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, MODIFICATION METHYLASE RSRI | | Authors: | Scavetta, R.D, Thomas, C.B, Walsh, M.A, Szegedi, S, Joachimiak, A, Gumport, R.I, Churchill, M.E.A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2000-02-11 | | Release date: | 2000-10-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of RsrI methyltransferase, a member of the N6-adenine beta class of DNA methyltransferases.
Nucleic Acids Res., 28, 2000
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4GMK
 | | Crystal Structure of Ribose 5-Phosphate Isomerase from the Probiotic Bacterium Lactobacillus salivarius UCC118 | | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Ribose-5-phosphate isomerase A | | Authors: | Lobley, C.M.C, Aller, P, Douangamath, A, Reddivari, Y, Bumann, M, Bird, L.E, Brandao-Neto, J, Owens, R.J, O'Toole, P.W, Walsh, M.A. | | Deposit date: | 2012-08-16 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure of ribose 5-phosphate isomerase from the probiotic bacterium Lactobacillus salivarius UCC118.
Acta Crystallogr.,Sect.F, 68, 2012
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5A7G
 | | Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1 | | Authors: | Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J. | | Deposit date: | 2015-07-04 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
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5A7F
 | | Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1, PHOSPHATE ION | | Authors: | Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J. | | Deposit date: | 2015-07-03 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
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5A7H
 | | Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1 | | Descriptor: | IODIDE ION, LIVER CARBOXYLESTERASE 1 | | Authors: | Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J. | | Deposit date: | 2015-07-04 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
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6RAB
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7Z59
 | | SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative | | Descriptor: | (3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5 | | Authors: | Owen, C.D, Malla, T.R, Brewitz, L, Lukacik, P, Strain-Damerell, C, Mikolajek, H, Muntean, D.G, Aslam, H, Salah, E, Tumber, A, Schofield, C.J, Walsh, M.A. | | Deposit date: | 2022-03-08 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine.
J.Med.Chem., 65, 2022
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6YB7
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-16 | | Release date: | 2020-03-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
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6RB7
 | | Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Owen, C.D, Bell, A, Juge, N, Walsh, M.A. | | Deposit date: | 2019-04-09 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Nat Microbiol, 4, 2019
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8B2T
 | | SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne | | Descriptor: | 3C-like proteinase nsp5, Nirmatrelvir (reacted form) | | Authors: | Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A. | | Deposit date: | 2022-09-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine.
J.Med.Chem., 66, 2023
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8CO8
 | | Structure of West Nile Virus NS2B-NS3 protease | | Descriptor: | Serine protease subunit NS2B,Serine protease/Helicase NS3 | | Authors: | Fairhead, M, Godoy, A.S, Koekemoer, L, Balcomb, B.H, Lithgo, R.M, Aschenbrenner, J.C, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-02-27 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure of West Nile Virus NS2B-NS3 protease - to be published
To Be Published
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6RD1
 | | Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant in complex with sialic acid | | Descriptor: | 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, Putative N-acetylneuraminate lyase | | Authors: | Owen, C.D, Bell, A, Juge, N, Walsh, M.A. | | Deposit date: | 2019-04-12 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Nat Microbiol, 4, 2019
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8EUO
 | | Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations | | Descriptor: | (S)-hydroxynitrile lyase | | Authors: | Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L. | | Deposit date: | 2022-10-19 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | to be published
To Be Published
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6Y84
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
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8PPS
 | | Dimeric RbdA EAL, in apo state | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, EAL domain-containing protein, ... | | Authors: | Cordery, C.R, Maly, M, Walsh, M.A, Tews, I. | | Deposit date: | 2023-07-08 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Phosphodiesterase activation in the biofilm dispersal protein RbdA and relationship to the biofilm formation protein PA2072 of similar architecture
To Be Published
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8V7R
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132 | | Descriptor: | (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-12-04 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132
To Be Published
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