2QHY
 
 | | Crystal Structure of protease inhibitor, MIT-1-AC86 in complex with wild type HIV-1 protease | | Descriptor: | ACETATE ION, N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE, PHOSPHATE ION, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2007-07-03 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
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2QI0
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3NOK
 | | Crystal structure of Myxococcus xanthus Glutaminyl Cyclase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | | Authors: | Parthier, C, Carrillo, D.R, Stubbs, M.T. | | Deposit date: | 2010-06-25 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Kinetic and structural characterization of bacterial glutaminyl cyclases from Zymomonas mobilis and Myxococcus xanthus
Biol.Chem., 391, 2010
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3SDT
 | | Structure of a three-domain sesquiterpene synthase: a prospective target for advanced biofuels production | | Descriptor: | 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Alpha-bisabolene synthase, CHLORIDE ION, ... | | Authors: | McAndrew, R.P, Peralta-Yahya, P.P, DeGiovanni, A, Pereira, J.H, Hadi, M.Z, Keasling, J.D, Adams, P.D. | | Deposit date: | 2011-06-09 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure of a three-domain sesquiterpene synthase: a prospective target for advanced biofuels production.
Structure, 19, 2011
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3N13
 | | Crystal stricture of D143A chitinase in complex with NAG from Bacillus cereus NCTU2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | | Authors: | Hsieh, Y.-C, Wu, Y.-J, Wu, W.-G, Li, Y.-K, Chen, C.-J. | | Deposit date: | 2010-05-15 | | Release date: | 2010-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of bacillus cereus NCTU2 chitinase complexes with chitooligomers reveal novel substrate binding for catalysis: a chitinase without chitin-binding and insertion domains
J.Biol.Chem., 285, 2010
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3N18
 | | Crystal stricture of E145G/Y227F chitinase in complex with NAG from Bacillus cereus NCTU2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | | Authors: | Hsieh, Y.-C, Wu, Y.-J, Wu, W.-G, Li, Y.-K, Chen, C.-J. | | Deposit date: | 2010-05-15 | | Release date: | 2010-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of bacillus cereus NCTU2 chitinase complexes with chitooligomers reveal novel substrate binding for catalysis: a chitinase without chitin-binding and insertion domains
J.Biol.Chem., 285, 2010
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3N1A
 | | Crystal stricture of E145G/Y227F chitinase in complex with cyclo-(L-His-L-Pro) from Bacillus cereus NCTU2 | | Descriptor: | CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR, Chitinase A | | Authors: | Hsieh, Y.-C, Wu, Y.-J, Wu, W.-G, Li, Y.-K, Chen, C.-J. | | Deposit date: | 2010-05-15 | | Release date: | 2010-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of bacillus cereus NCTU2 chitinase complexes with chitooligomers reveal novel substrate binding for catalysis: a chitinase without chitin-binding and insertion domains
J.Biol.Chem., 285, 2010
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3PJ5
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3AAX
 | | Crystal structure of probable thiosulfate sulfurtransferase cysa3 (RV3117) from Mycobacterium tuberculosis: monoclinic FORM | | Descriptor: | Putative thiosulfate sulfurtransferase | | Authors: | Sankaranarayanan, R, Witholt, S.J, Cherney, M.M, Garen, C.R, Cherney, L.T, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2009-11-28 | | Release date: | 2009-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of probable thiosulfate sulfurtransferase CysA3 (Rv3117) from Mycobacterium tuberculosis
To be Published
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3AAY
 | | Crystal structure of probable thiosulfate sulfurtransferase CYSA3 (RV3117) from Mycobacterium tuberculosis: orthorhombic form | | Descriptor: | GLYCEROL, Putative thiosulfate sulfurtransferase, SULFATE ION | | Authors: | Sankaranarayanan, R, Witholt, S.J, Cherney, M.M, Garen, C.R, Cherney, L.T, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2009-11-28 | | Release date: | 2009-12-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of probable thiosulfate sulfurtransferase CysA3 (Rv3117) from Mycobacterium tuberculosis
To be Published
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3CBR
 | | Crystal structure of human Transthyretin (TTR) at pH3.5 | | Descriptor: | Transthyretin | | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Snee, W.C, Kelly, J.W, C Sacchettini, J. | | Deposit date: | 2008-02-22 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
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3N17
 | | Crystal stricture of E145Q/Y227F chitinase in complex with NAG from Bacillus cereus NCTU2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | | Authors: | Hsieh, Y.-C, Wu, Y.-J, Wu, W.-G, Li, Y.-K, Chen, C.-J. | | Deposit date: | 2010-05-15 | | Release date: | 2010-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structures of bacillus cereus NCTU2 chitinase complexes with chitooligomers reveal novel substrate binding for catalysis: a chitinase without chitin-binding and insertion domains
J.Biol.Chem., 285, 2010
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3N11
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3N15
 | | Crystal stricture of E145Q chitinase in complex with NAG from Bacillus cereus NCTU2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | | Authors: | Hsieh, Y.-C, Wu, Y.-J, Wu, W.-G, Li, Y.-K, Chen, C.-J. | | Deposit date: | 2010-05-15 | | Release date: | 2010-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structures of bacillus cereus NCTU2 chitinase complexes with chitooligomers reveal novel substrate binding for catalysis: a chitinase without chitin-binding and insertion domains
J.Biol.Chem., 285, 2010
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3N12
 | | Crystal stricture of chitinase in complex with zinc atoms from Bacillus cereus NCTU2 | | Descriptor: | ACETIC ACID, Chitinase A, ZINC ION | | Authors: | Hsieh, Y.-C, Wu, Y.-J, Wu, W.-G, Li, Y.-K, Chen, C.-J. | | Deposit date: | 2010-05-15 | | Release date: | 2010-08-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structures of bacillus cereus NCTU2 chitinase complexes with chitooligomers reveal novel substrate binding for catalysis: a chitinase without chitin-binding and insertion domains
J.Biol.Chem., 285, 2010
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3CB7
 | | The crystallographic structure of the digestive lysozyme 2 from Musca domestica at 1.9 Ang. | | Descriptor: | ACETIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Cancado, F.C, Valerio, A.A, Marana, S.R, Barbosa, J.A.R.G. | | Deposit date: | 2008-02-21 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystallographic structure of the digestive lysozyme 2 from Musca domestica at 1.9 Ang.
To be Published
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3US6
 | | Crystal Structure of Histidine-containing Phosphotransfer Protein MtHPt1 from Medicago truncatula | | Descriptor: | Histidine-containing Phosphotransfer Protein type 1, MtHPt1 | | Authors: | Ruszkowski, M, Brzezinski, K, Jedrzejczak, R, Dauter, M, Dauter, Z, Sikorski, M, Jaskolski, M. | | Deposit date: | 2011-11-23 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.446 Å) | | Cite: | Medicago truncatula histidine-containing phosphotransfer protein: Structural and biochemical insights into the cytokinin transduction pathway in plants.
Febs J., 280, 2013
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3D7P
 | | Crystal structure of human Transthyretin (TTR) at pH 4.0 | | Descriptor: | Transthyretin | | Authors: | Palaninathan, S.K, Mohamedmohaideen, N.N, Snee, W.C, Kelly, J.W, Sacchettini, J.C. | | Deposit date: | 2008-05-21 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
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3PJ7
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3F8E
 | | Coumarins are a novel class of suicide carbonic anhydrase inhibitors | | Descriptor: | (2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid, BENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Temperini, C, Maresca, A, Scozzafava, A, Supuran, C.T. | | Deposit date: | 2008-11-12 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Non-Zinc Mediated Inhibition of Carbonic Anhydrases: Coumarins Are a New Class of Suicide Inhibitors
J.Am.Chem.Soc., 131, 2009
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3HG6
 | | Crystal Structure of the Recombinant Onconase from Rana pipiens | | Descriptor: | GLYCEROL, Onconase, SULFATE ION | | Authors: | Camara-Artigas, A, Gavira, J.A, Casares-Atienza, S, Weininger, U, Balbach, J, Garcia-Mira, M.M. | | Deposit date: | 2009-05-13 | | Release date: | 2010-05-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Three-state thermal unfolding of onconase.
Biophys.Chem., 159, 2011
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5OSJ
 | | Cdk2(WT) with covalent adduct at C177 | | Descriptor: | Cyclin-dependent kinase 2, ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | | Deposit date: | 2017-08-17 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5QQP
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-05-20 | | Release date: | 2019-09-18 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
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5QQO
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-05-20 | | Release date: | 2019-09-18 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
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5QTT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-10-16 | | Release date: | 2019-12-25 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
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