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4A4A
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BU of 4a4a by Molmil
CpGH89 (E483Q, E601Q), from Clostridium perfringens, in complex with its substrate GlcNAc-alpha-1,4-galactose
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, ALPHA-N-ACETYLGLUCOSAMINIDASE FAMILY PROTEIN, CALCIUM ION, ...
Authors:Ficko-Blean, E, Stuart, C.P, Suits, M.D, Cid, M, Tessier, M, Woods, R.J, Boraston, A.B.
Deposit date:2011-10-07
Release date:2012-04-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of a bacterial exo-alpha-D-N-acetylglucosaminidase in complex with an unusual disaccharide found in class III mucin.
Glycobiology, 22, 2012
4A6O
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BU of 4a6o by Molmil
CpGH89CBM32-4, produced by Clostridium perfringens, in complex with glcNAc-alpha-1,4-galactose
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, ALPHA-N-ACETYLGLUCOSAMINIDASE FAMILY PROTEIN, CALCIUM ION
Authors:Ficko-Blean, E, Stuart, C.P, Suits, M.D, Cid, M, Tessier, M, Woods, R.J, Boraston, A.B.
Deposit date:2011-11-07
Release date:2012-04-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Carbohydrate Recognition by an Architecturally Complex Alpha-N-Acetylglucosaminidase from Clostridium Perfringens.
Plos One, 7, 2012
3UV9
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BU of 3uv9 by Molmil
Structure of the rhesus monkey TRIM5alpha deltav1 PRYSPRY domain
Descriptor: Tripartite motif-containing protein 5
Authors:Biris, N, Yang, Y, Taylor, A.B, Tomashevskii, A, Guo, M, Hart, P.J, Diaz-Griffero, F, Ivanov, D.
Deposit date:2011-11-29
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Structure of the rhesus monkey TRIM5alpha PRYSPRY domain, the HIV capsid recognition module.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AK7
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BU of 4ak7 by Molmil
Crystal structure of BpGH117_E303Q in complex with neoagarobiose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ANHYDRO-ALPHA-L-GALACTOSIDASE, ...
Authors:Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-02-21
Release date:2012-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012
4ACL
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BU of 4acl by Molmil
3D Structure of DotU from Francisella novicida
Descriptor: 1,2-ETHANEDIOL, GOLD ION, SODIUM ION, ...
Authors:Robb, C.S, Nano, F.E, Boraston, A.B.
Deposit date:2011-12-16
Release date:2012-04-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The Structure of the Conserved Type Six Secretion Protein Tssl (Dotu) from Francisella Novicida
J.Mol.Biol., 419, 2012
4AFT
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BU of 4aft by Molmil
Aplysia californica AChBP in complex with Varenicline
Descriptor: SOLUBLE ACETYLCHOLINE RECEPTOR, VARENICLINE
Authors:Rucktooa, P, Haseler, C.A, vanElke, R, Smit, A.B, Gallagher, T, Sixma, T.K.
Deposit date:2012-01-23
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Characterization of Binding Mode of Smoking Cessation Drugs to Nicotinic Acetylcholine Receptors Through Study of Ligand Complexes with Acetylcholine-Binding Protein.
J.Biol.Chem., 287, 2012
3WNT
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BU of 3wnt by Molmil
Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-benzylthioformamide, ...
Authors:Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A.
Deposit date:2013-12-16
Release date:2014-03-05
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
3WNS
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BU of 3wns by Molmil
Allyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor
Descriptor: CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A.
Deposit date:2013-12-16
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.658 Å)
Cite:Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
4AK5
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BU of 4ak5 by Molmil
Native crystal structure of BpGH117
Descriptor: 1,2-ETHANEDIOL, ANHYDRO-ALPHA-L-GALACTOSIDASE, CHLORIDE ION, ...
Authors:Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-02-21
Release date:2012-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012
4AK6
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BU of 4ak6 by Molmil
BpGH117_H302E mutant glycoside hydrolase
Descriptor: ANHYDRO-ALPHA-L-GALACTOSIDASE, MAGNESIUM ION
Authors:Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-02-21
Release date:2012-03-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012
4ACK
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BU of 4ack by Molmil
3D Structure of DotU from Francisella novicida
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, TSSL
Authors:Robb, C.S, Nano, F.E, Boraston, A.B.
Deposit date:2011-12-15
Release date:2012-04-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Structure of the Conserved Type Six Secretion Protein Tssl (Dotu) from Francisella Novicida
J.Mol.Biol., 419, 2012
4AZ6
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BU of 4az6 by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
Descriptor: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, BETA-N-ACETYLHEXOSAMINIDASE, ...
Authors:Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-06-23
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
4AW7
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BU of 4aw7 by Molmil
BpGH86A: A beta-porphyranase of glycoside hydrolase family 86 from the human gut bacterium Bacteroides plebeius
Descriptor: 1,2-ETHANEDIOL, 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-6-O-sulfo-alpha-L-galactopyranose-(1-3)-alpha-D-galactopyranose, CALCIUM ION, ...
Authors:Hehemann, J.H, Kelly, A.G, Pudlo, N.A, Martens, E.C, Boraston, A.B.
Deposit date:2012-06-01
Release date:2012-07-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Bacteria of the human gut microbiome catabolize red seaweed glycans with carbohydrate-active enzyme updates from extrinsic microbes.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
3UPV
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BU of 3upv by Molmil
TPR2B-domain:pHsp70-complex of yeast Sti1
Descriptor: Heat shock protein SSA4, Heat shock protein STI1
Authors:Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H.
Deposit date:2011-11-18
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.
Embo J., 31, 2012
4AZ7
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BU of 4az7 by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
Descriptor: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, BETA-N-ACETYLHEXOSAMINIDASE, ...
Authors:Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-06-23
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
4AZH
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BU of 4azh by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
Descriptor: 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, N-acetylglucosaminono-1,5-lactone (Z)-oxime
Authors:Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-06-26
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
4AZI
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BU of 4azi by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
Descriptor: 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, BICINE, ...
Authors:Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-06-26
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
4AZG
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BU of 4azg by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BETA-N-ACETYLHEXOSAMINIDASE, ...
Authors:Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-06-25
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
4AZB
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BU of 4azb by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
Descriptor: 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ...
Authors:Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-06-25
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
5A6J
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BU of 5a6j by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae
Descriptor: 1,2-ETHANEDIOL, N-ACETYL-BETA-D-GLUCOSAMINIDASE
Authors:Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
Deposit date:2015-06-26
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A Second beta-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans.
J. Biol. Chem., 290, 2015
5A6K
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BU of 5a6k by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with Gal-NGT
Descriptor: (2S,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol, GH20C
Authors:Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
Deposit date:2015-06-26
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Second Beta-Hexosaminidase Encoded in the Streptococcus Pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans
J.Biol.Chem., 290, 2015
5AN1
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BU of 5an1 by Molmil
Crystallographic structure of the Glutathione S-Transferase from Litopenaeus vannamei complexed with Glutathione
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Juarez-Martinez, A.B, Sotelo-Mundo, R, Rudino-Pinera, E.
Deposit date:2015-09-02
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a class-mu glutathione S-transferase from whiteleg shrimp Litopenaeus vannamei: structural changes in the xenobiotic binding H-site may alter the spectra of molecules bound.
J. Biochem. Mol. Toxicol., 31, 2017
5AWN
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BU of 5awn by Molmil
Crystal structure of Human anti-HIV-1 broadly neutralizing antibody 3BC176 Fab
Descriptor: Heavy chain of 3BC176 Fab, Light chain of 3BC176 Fab
Authors:Lee, J.H, Wilson, I.A, Ward, A.B.
Deposit date:2015-07-06
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Antibodies to a conformational epitope on gp41 neutralize HIV-1 by destabilizing the Env spike.
Nat Commun, 6, 2015
5AMU
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BU of 5amu by Molmil
IglE I39A,Y40A,V44A
Descriptor: IGLE
Authors:Robb, C.S, Nano, F.E, Boraston, A.B.
Deposit date:2015-09-01
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure, Dimerisation and Impact on Intramacrophage Replication of Igle in Francisella Novicida
To be Published
5BYJ
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BU of 5byj by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/R-oxamniquine Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Authors:Taylor, A.B, Cao, X, Holloway, S.P, Hart, P.J.
Deposit date:2015-06-10
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Characterization of the Enantiomers of the Antischistosomal Drug Oxamniquine.
Plos Negl Trop Dis, 9, 2015

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