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3LZO
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BU of 3lzo by Molmil
Crystal Structure Analysis of the copper-reconstituted P19 protein from Campylobacter jejuni at 1.65 A at pH 10.0
Descriptor: COPPER (II) ION, P19 protein, SULFATE ION
Authors:Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P.
Deposit date:2010-03-01
Release date:2010-07-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni.
J.Mol.Biol., 401, 2010
4CU7
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BU of 4cu7 by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA
Descriptor: 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, D-galacto-isofagomine, ...
Authors:Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
Deposit date:2014-03-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, BgaA.
Plos Pathog., 10, 2014
3KSQ
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BU of 3ksq by Molmil
Discovery of C-Imidazole Azaheptapyridine FPT Inhibitors
Descriptor: FARNESYL DIPHOSPHATE, Farnesyltransferase, CAAX box, ...
Authors:Zhu, H.Y, Cooper, A.B, Njoroge, G, Kirschmeier, P, Strickland, C, Hruza, A, Girijavallabhan, V.M.
Deposit date:2009-11-23
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of C-imidazole azaheptapyridine FPT inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3NV0
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BU of 3nv0 by Molmil
Crystal structure and mutational analysis of the NXF2/NXT1 heterodimeric complex from caenorhabditis elegans at 1.84 A resolution
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Kerkow, D.E, Carmel, A.B, Williamson, J.R.
Deposit date:2010-07-07
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The structure of the NXF2/NXT1 heterodimeric complex reveals the combined specificity and versatility of the NTF2-like fold.
J.Mol.Biol., 415, 2012
4Z7M
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BU of 4z7m by Molmil
Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity
Descriptor: MANGANESE (II) ION, Methionine aminopeptidase, N~2~-[(3,5-difluorophenyl)acetyl]-N-[(3S,7R)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-L-alaninamide
Authors:Rose, J.A, Lahiri, S.D, McKinney, D.C, Albert, R, Morningstar, M, Shapiro, A.B, Fisher, S.F, Fleming, P.R.
Deposit date:2015-04-07
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity
To be Published
4Z6A
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BU of 4z6a by Molmil
Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor
Descriptor: CALCIUM ION, CITRIC ACID, Coagulation factor VII, ...
Authors:Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
Deposit date:2015-04-04
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
4ZMA
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BU of 4zma by Molmil
Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor
Descriptor: CACODYLATE ION, CALCIUM ION, Coagulation factor VII, ...
Authors:Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
Deposit date:2015-05-02
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
5A55
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BU of 5a55 by Molmil
The native structure of GH101 from Streptococcus pneumoniae TIGR4
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A5A
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BU of 5a5a by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5AC5
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BU of 5ac5 by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with GlcNAc
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
Deposit date:2015-08-11
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 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
5A59
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BU of 5a59 by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A58
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BU of 5a58 by Molmil
The structure of GH101 D764N mutant from Streptococcus pneumoniae TIGR4 in complex with serinyl T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5AC4
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BU of 5ac4 by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, N-ACETYL-BETA-D-GLUCOSAMINIDASE
Authors:Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
Deposit date:2015-08-11
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 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
5A57
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BU of 5a57 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with PUGT
Descriptor: (Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A6B
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BU of 5a6b by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with PUGNAc
Descriptor: MAGNESIUM ION, N-ACETYL-BETA-D-GLUCOSAMINIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Authors:Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
Deposit date:2015-06-24
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 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
5A29
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BU of 5a29 by Molmil
Family 2 Pectate Lyase from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ...
Authors:McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W.
Deposit date:2015-05-15
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2.
J.Biol.Chem., 290, 2015
5AKO
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BU of 5ako by Molmil
The complex of Tse2 and Tsi2 from Pseudomonas aeruginosa
Descriptor: TSE2, TSI2
Authors:Robb, C.S, Nano, F.E, Boraston, A.B.
Deposit date:2015-03-04
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of the Toxin and Type Six Secretion System Substrate Tse2 in Complex with its Immunity Protein.
Structure, 24, 2016
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
4YLQ
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BU of 4ylq by Molmil
Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor
Descriptor: CALCIUM ION, Coagulation factor VII, N-PROPANOL, ...
Authors:Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
Deposit date:2015-03-05
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
5A6A
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BU of 5a6a by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with NGT
Descriptor: 1,2-ETHANEDIOL, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, N-ACETYL-BETA-D-GLUCOSAMINIDASE
Authors:Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
Deposit date:2015-06-24
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 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
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
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
5A56
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BU of 5a56 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism.
J.Biol.Chem., 290, 2015
5ACO
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BU of 5aco by Molmil
Cryo-EM structure of PGT128 Fab in complex with BG505 SOSIP.664 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 ENVELOPE GLYCOPROTEIN, ...
Authors:Lee, J.H, Ward, A.B.
Deposit date:2015-08-17
Release date:2015-09-30
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:Model Building and Refinement of a Natively Glycosylated HIV-1 Env Protein by High-Resolution Cryoelectron Microscopy.
Structure, 23, 2015

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