2CGR
 
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2BB9
 | | 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
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2AUX
 | | 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
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2BBB
 | | 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
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2AUZ
 | | 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
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2EPE
 | | 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
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2CNJ
 | | 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
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4Z6A
 | | 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
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4Z7M
 | | 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
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4ZMA
 | | 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
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5A55
 | | 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
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5A5A
 | | 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
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5A29
 | | 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
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5A6J
 | | 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
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5A6K
 | | 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
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5A6A
 | | 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
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5A57
 | | 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
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5AC4
 | | 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
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5A69
 | | 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
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5A6B
 | | 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
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5AN1
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5AWN
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4YLQ
 | | 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
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5A58
 | | 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
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5A59
 | | 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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