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2CGR
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BU of 2cgr by Molmil
LOCAL AND TRANSMITTED CONFORMATIONAL CHANGES ON COMPLEXATION OF AN ANTI-SWEETENER FAB
Descriptor: IGG2B-KAPPA NC6.8 FAB (HEAVY CHAIN), IGG2B-KAPPA NC6.8 FAB (LIGHT CHAIN), N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID
Authors:Guddat, L.W, Shan, L, Edmundson, A.B.
Deposit date:1993-11-23
Release date:1994-05-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Local and transmitted conformational changes on complexation of an anti-sweetener Fab.
J.Mol.Biol., 236, 1994
2BB9
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Structure of HIV1 protease and AKC4p_133a complex.
Descriptor: 2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
Authors:Smith III, A.B, Charnley, A.K, Kuo, L.C, Munshi, S.
Deposit date:2005-10-17
Release date:2005-11-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains
Bioorg.Med.Chem.Lett., 16, 2006
2AUX
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BU of 2aux by Molmil
Cathepsin K complexed with a semicarbazone inhibitor
Descriptor: (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K
Authors:Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M.
Deposit date:2005-08-29
Release date:2006-08-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
2BBB
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BU of 2bbb by Molmil
Structure of HIV1 protease and hh1_173_3a complex.
Descriptor: (3S)-TETRAHYDROFURAN-3-YL (1R)-3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
Authors:Smith III, A.B, Charnley, A.K, Kuo, L.C, Munshi, S.
Deposit date:2005-10-17
Release date:2005-11-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains
Bioorg.Med.Chem.Lett., 16, 2006
2AUZ
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BU of 2auz by Molmil
Cathepsin K complexed with a semicarbazone inhibitor
Descriptor: 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K, SULFATE ION
Authors:Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M.
Deposit date:2005-08-29
Release date:2006-08-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
2EPE
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BU of 2epe by Molmil
Crystal structure analysis of Hen egg white lysozyme grown by capillary method
Descriptor: Lysozyme C
Authors:Naresh, M.D, Subramanian, V, Jaimohan, S.M, Rajaram, A, Arumugam, V, Usha, R, Mandal, A.B.
Deposit date:2007-03-29
Release date:2007-04-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure analysis of Hen egg white lysozyme grown by capillary method
To be published
2CNJ
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BU of 2cnj by Molmil
NMR studies on the interaction of Insulin-Growth Factor II (IGF-II) with IGF2R domain 11
Descriptor: CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR
Authors:Williams, C, Prince, S, Zaccheo, O, Hassan, A.B, Crosby, J, Crump, M.
Deposit date:2006-05-22
Release date:2007-05-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights Into the Interaction of Insulin-Like Growth Factor 2 with Igf2R Domain 11.
Structure, 15, 2007
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
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
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
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
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
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
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
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
5A69
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GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with Gal-PUGNAc
Descriptor: N-ACETYL-BETA-D-GLUCOSAMINIDASE, [(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]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 (2.2 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
5A6B
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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
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
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
5A58
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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
5A59
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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

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