2YA6
| Crystal structure of Streptococcus pneumoniae NanA (TIGR4) in complex with DANA | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CHLORIDE ION, FORMIC ACID, ... | Authors: | Gut, H, Xu, G, Taylor, G.L, Walsh, M.A. | Deposit date: | 2011-02-18 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Streptococcus Pneumoniae Nana Inhibition by Influenza Antivirals Zanamivir and Oseltamivir Carboxylate. J.Mol.Biol., 409, 2011
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2YA8
| Crystal structure of Streptococcus pneumoniae NanA (TIGR4) in complex with Oseltamivir carboxylate | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Gut, H, Xu, G, Taylor, G.L, Walsh, M.A. | Deposit date: | 2011-02-18 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Streptococcus Pneumoniae Nana Inhibition by Influenza Antivirals Zanamivir and Oseltamivir Carboxylate. J.Mol.Biol., 409, 2011
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6TR4
| Ruminococcus gnavus GH29 fucosidase E1_10125 D221A mutant in complex with fucose | Descriptor: | CALCIUM ION, CHLORIDE ION, F5/8 type C domain-containing protein, ... | Authors: | Owen, C.D, Wu, H, Crost, E, Colvile, A, Juge, N, Walsh, M.A. | Deposit date: | 2019-12-17 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Fucosidases from the human gut symbiont Ruminococcus gnavus. Cell.Mol.Life Sci., 78, 2021
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6TR3
| Ruminococcus gnavus GH29 fucosidase E1_10125 in complex with fucose | Descriptor: | CALCIUM ION, F5/8 type C domain-containing protein, MAGNESIUM ION, ... | Authors: | Owen, C.D, Wu, H, Crost, E, Colvile, A, Juge, N, Walsh, M.A. | Deposit date: | 2019-12-17 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fucosidases from the human gut symbiont Ruminococcus gnavus. Cell.Mol.Life Sci., 78, 2021
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7NW2
| Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium | Deposit date: | 2021-03-16 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor. Cell Chem Biol, 28, 2021
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7OFZ
| Nontypeable Haemophillus influenzae SapA in complex with double stranded RNA | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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7OG0
| Nontypeable Haemophillus influenzae SapA in open and closed conformations, in complex with double stranded RNA | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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7OFW
| Nontypeable Haemophillus influenzae SapA in complex with heme | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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1OL0
| Crystal structure of a camelised human VH | Descriptor: | GLYCEROL, IMMUNOGLOBULIN G, SULFATE ION | Authors: | Dottorini, T, Vaughan, C.K, Walsh, M.A, Losurdo, P, Sollazzo, M. | Deposit date: | 2003-08-02 | Release date: | 2004-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of a Human Vh: Requirements for Maintaining a Monomeric Fragment Biochemistry, 43, 2004
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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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6RAB
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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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2VGZ
| CRYSTAL STRUCTURE OF HUMAN KYNURENINE AMINOTRANSFERASE II | Descriptor: | IODIDE ION, KYNURENINE/ALPHA-AMINOADIPATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Rossi, F, Garavaglia, S, Montalbano, V, Walsh, M.A, Rizzi, M. | Deposit date: | 2007-11-16 | Release date: | 2007-12-04 | Last modified: | 2015-12-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Kynurenine Aminotransferase II, a Drug Target for the Treatment of Schizophrenia. J.Biol.Chem., 283, 2008
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2VH3
| ranasmurfin | Descriptor: | GLYCEROL, RANASMURFIN, SULFATE ION, ... | Authors: | Oke, M, Ching, R.T, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, Bloch Junior, C, Botting, C.H, Walsh, M.A, Latiff, A.A, Kennedy, M.W, Cooper, A, Naismith, J.H. | Deposit date: | 2007-11-17 | Release date: | 2007-12-04 | Last modified: | 2011-08-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Unusual Chromophore and Cross-Links in Ranasmurfin: A Blue Protein from the Foam Nests of a Tropical Frog. Angew.Chem.Int.Ed.Engl., 47, 2008
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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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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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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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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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8PXC
| Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fap1 | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8R5J
| Crystal structure of MERS-CoV main protease | Descriptor: | Non-structural protein 11 | Authors: | Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-11-16 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Crystal structure of MERS-CoV main protease To Be Published
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1GKF
| Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-08-13 | Release date: | 2002-01-04 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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1G60
| Crystal Structure of Methyltransferase MboIIa (Moraxella bovis) | Descriptor: | Adenine-specific Methyltransferase MboIIA, S-ADENOSYLMETHIONINE, SODIUM ION | Authors: | Osipiuk, J, Walsh, M.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2000-11-02 | Release date: | 2002-05-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of MboIIA methyltransferase. Nucleic Acids Res., 31, 2003
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1GM7
| Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-09-11 | Release date: | 2001-11-28 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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1GK9
| Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-08-10 | Release date: | 2002-01-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme-Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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1GM9
| Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLAC ETAMIDE, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-09-12 | Release date: | 2001-11-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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