3LZT
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![BU of 3lzt by Molmil](/molmil-images/mine/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
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![BU of 4lzt by Molmil](/molmil-images/mine/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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1SRV
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![BU of 1srv by Molmil](/molmil-images/mine/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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1BU5
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![BU of 1bu5 by Molmil](/molmil-images/mine/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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1AZL
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![BU of 1azl by Molmil](/molmil-images/mine/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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1DW9
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![BU of 1dw9 by Molmil](/molmil-images/mine/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
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![BU of 1dwk by Molmil](/molmil-images/mine/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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7Z4S
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![BU of 7z4s by Molmil](/molmil-images/mine/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
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![BU of 1eg2 by Molmil](/molmil-images/mine/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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7Z59
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![BU of 7z59 by Molmil](/molmil-images/mine/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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4GMK
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![BU of 4gmk by Molmil](/molmil-images/mine/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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8PPS
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![BU of 8pps by Molmil](/molmil-images/mine/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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5A7G
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![BU of 5a7g by Molmil](/molmil-images/mine/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
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![BU of 5a7f by Molmil](/molmil-images/mine/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
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![BU of 5a7h by Molmil](/molmil-images/mine/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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6RB7
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![BU of 6rb7 by Molmil](/molmil-images/mine/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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6RAB
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![BU of 6rab by Molmil](/molmil-images/mine/6rab) | |
6RD1
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![BU of 6rd1 by Molmil](/molmil-images/mine/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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8P1S
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![BU of 8p1s by Molmil](/molmil-images/mine/8p1s) | Bifidobacterium asteroides alpha-L-fucosidase (TT1819) in complex with fucose. | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifidobacterium asteroides alpha-L-fucosidase (TT1819), ... | Authors: | Owen, C.D, Penner, M, Gascuena, A.N, Wu, H, Hernando, P.J, Monaco, S, Le Gall, G, Gardner, R, Ndeh, D, Urbanowicz, P.A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | Deposit date: | 2023-05-12 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring sequence, structure and function of microbial fucosidases from glycoside hydrolase GH29 family To Be Published
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8P1R
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![BU of 8p1r by Molmil](/molmil-images/mine/8p1r) | Bifidobacterium asteroides alpha-L-fucosidase (TT1819) catalytic mutant. | Descriptor: | 1,2-ETHANEDIOL, Bifidobacterium asteroides alpha-L-fucosidase (TT1819) catalytic mutant, MAGNESIUM ION | Authors: | Owen, C.D, Penner, M, Gascuena, A.N, Wu, H, Hernando, P.J, Monaco, S, Le Gall, G, Gardner, R, Ndeh, D, Urbanowicz, P.A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | Deposit date: | 2023-05-12 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Exploring sequence, structure and function of microbial fucosidases from glycoside hydrolase GH29 family To Be Published
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8PN6
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![BU of 8pn6 by Molmil](/molmil-images/mine/8pn6) | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus | Descriptor: | Genome polyprotein, Serine protease subunit NS2B | Authors: | Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-06-29 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus To Be Published
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6AC6
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![BU of 6ac6 by Molmil](/molmil-images/mine/6ac6) | Ab initio crystal structure of Selenomethionine labelled Mycobacterium smegmatis Mfd | Descriptor: | Mycobacterium smegmatis Mfd, SULFATE ION | Authors: | Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R. | Deposit date: | 2018-07-25 | Release date: | 2019-08-28 | Method: | X-RAY DIFFRACTION (2.989 Å) | Cite: | Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd To Be Published
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6ACA
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![BU of 6aca by Molmil](/molmil-images/mine/6aca) | Crystal structure of Mycobacterium tuberculosis Mfd at 3.6 A resolution | Descriptor: | Mycobacterium tuberculosis Mfd | Authors: | Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R. | Deposit date: | 2018-07-26 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd To Be Published
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6AC8
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![BU of 6ac8 by Molmil](/molmil-images/mine/6ac8) | Crystal structure of Mycobacterium smegmatis Mfd at 2.75 A resolution | Descriptor: | Mycobacterium smegmatis Mfd, SULFATE ION | Authors: | Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R. | Deposit date: | 2018-07-25 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd To Be Published
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6ACX
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![BU of 6acx by Molmil](/molmil-images/mine/6acx) | Crystal structure of Mycobacterium smegmatis Mfd in complex with ADP + Pi at 3.5 A resolution. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Mycobacterium smegmatis Mfd, PHOSPHATE ION, ... | Authors: | Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R. | Deposit date: | 2018-07-27 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd To Be Published
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