2BKL
 
 | | Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Inter-Domain Dynamics in Catalysis and Specificity | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE, PROLYL ENDOPEPTIDASE, ... | | Authors: | Khosla, C, Shan, L, Mathews, I.I. | | Deposit date: | 2005-02-16 | | Release date: | 2005-03-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Interdomain Dynamics in Catalysis and Specificity
Proc.Natl.Acad.Sci.USA, 102, 2005
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2QO3
 | | Crystal Structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, ACETATE ION, ... | | Authors: | Khosla, C, Cane, E.D, Tang, Y, Chen, Y.A, Kim, C.Y. | | Deposit date: | 2007-07-19 | | Release date: | 2007-09-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural and mechanistic analysis of protein interactions in module 3 of the 6-deoxyerythronolide B synthase
Chem.Biol., 14, 2007
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2NM0
 | | Crystal Structure of SCO1815: a Beta-Ketoacyl-Acyl Carrier Protein Reductase from Streptomyces coelicolor A3(2) | | Descriptor: | Probable 3-oxacyl-(Acyl-carrier-protein) reductase | | Authors: | Khosla, C, Tang, Y, Lee, H.Y, Tang, Y, Kim, C.Y, Mathews, I.I. | | Deposit date: | 2006-10-20 | | Release date: | 2007-01-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural and functional studies on SCO1815: a beta-ketoacyl-acyl carrier protein reductase from Streptomyces coelicolor A3(2).
Biochemistry, 45, 2006
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3RGI
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3SBM
 | | Trans-acting transferase from Disorazole synthase in complex with Acetate | | Descriptor: | ACETATE ION, DisD protein, HEXAETHYLENE GLYCOL | | Authors: | Khosla, C, Mathews, I.I, Wong, F.T, Jin, X. | | Deposit date: | 2011-06-06 | | Release date: | 2011-07-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure and Mechanism of the trans-Acting Acyltransferase from the Disorazole Synthase.
Biochemistry, 50, 2011
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7SQL
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with a weak small molecule inhibitor | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide, ... | | Authors: | Mashayekh, S, Stunkard, L.M, Kienle, M, Mathews, I.I, Khosla, C. | | Deposit date: | 2021-11-05 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Prototyping of Allosteric Inhibitors of Human Uridine/Cytidine Kinase 2 (UCK2).
Biochemistry, 61, 2022
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8EE0
 | | KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment 1B2 | | Descriptor: | 1B2 antibody heavy chain, 1B2 antibody light chain, 6-deoxyerythronolide B synthase | | Authors: | Cogan, D.P, Brodsky, K.L, Guzman, K.M, Mathews, I.I, Khosla, C. | | Deposit date: | 2022-09-06 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery and Characterization of Antibody Probes of Module 2 of the 6-Deoxyerythronolide B Synthase.
Biochemistry, 62, 2023
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8EE1
 | | KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment AA5 | | Descriptor: | 6-deoxyerythronolide B synthase, AA5 antibody heavy chain, AA5 antibody light chain | | Authors: | Cogan, D.P, Brodsky, K.L, Guzman, K.M, Mathews, I.I, Khosla, C. | | Deposit date: | 2022-09-06 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Characterization of Antibody Probes of Module 2 of the 6-Deoxyerythronolide B Synthase.
Biochemistry, 62, 2023
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1YR2
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6MLK
 | | Structure of Thioesterase from DEBS with a thioesterase-specific antibody | | Descriptor: | 6-deoxyerythronolide-B synthase EryA3, modules 5 and 6, CHLORIDE ION, ... | | Authors: | Mathews, I.I, Li, X, Khosla, C. | | Deposit date: | 2018-09-27 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery and Characterization of a Thioesterase-Specific Monoclonal Antibody That Recognizes the 6-Deoxyerythronolide B Synthase.
Biochemistry, 57, 2018
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6W7S
 | | Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 2G10 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G10 (Fab heavy chain), 2G10 (Fab light chain), ... | | Authors: | Cogan, D.P, Mathews, I.I, Khosla, C. | | Deposit date: | 2020-03-19 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
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6WH9
 | | Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 1D10 | | Descriptor: | 1D10 (Fab heavy chain), 1D10 (Fab light chain), KR1, ... | | Authors: | Cogan, D.P, Mathews, I.I, Khosla, C. | | Deposit date: | 2020-04-07 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
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2HG4
 | | Structure of the ketosynthase-acyltransferase didomain of module 5 from DEBS. | | Descriptor: | 6-Deoxyerythronolide B Synthase, ACETATE ION, CHLORIDE ION, ... | | Authors: | Tang, Y, Kim, C.Y, Mathews, I.I, Cane, D.E, Khosla, C. | | Deposit date: | 2006-06-26 | | Release date: | 2006-07-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | The 2.7-A crystal structure of a 194-kDa homodimeric fragment of the 6-deoxyerythronolide B synthase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2Q3Z
 | | Transglutaminase 2 undergoes large conformational change upon activation | | Descriptor: | Polypeptide, SULFATE ION, Transglutaminase 2 | | Authors: | Strop, P, Pinkas, D.M, Brunger, A.T, Khosla, C. | | Deposit date: | 2007-05-30 | | Release date: | 2007-10-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Transglutaminase 2 undergoes a large conformational change upon activation
Plos Biol., 5, 2007
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1MNA
 | | Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.0 | | Descriptor: | polyketide synthase IV | | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | | Deposit date: | 2002-09-05 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases
Biochemistry, 41, 2002
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1MNQ
 | | Thioesterase Domain of Picromycin Polyketide Synthase (PICS TE), pH 8.4 | | Descriptor: | polyketide synthase IV | | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | | Deposit date: | 2002-09-05 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases
Biochemistry, 41, 2002
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1MO2
 | | Thioesterase Domain from 6-Deoxyerythronolide Synthase (DEBS TE), pH 8.5 | | Descriptor: | Erythronolide synthase, modules 5 and 6 | | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | | Deposit date: | 2002-09-05 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases
Biochemistry, 41, 2002
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1MN6
 | | Thioesterase Domain from Picromycin Polyketide Synthase, pH 7.6 | | Descriptor: | polyketide synthase IV | | Authors: | Tsai, S.-C, Lu, H, Cane, D.E, Khosla, C, Stroud, R.M. | | Deposit date: | 2002-09-05 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into channel architecture and substrate specificity from crystal structures of two macrocycle-forming thioesterases of modular polyketide synthases
Biochemistry, 41, 2002
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1TQY
 | | The Actinorhodin Ketosynthase/Chain Length Factor | | Descriptor: | ACETYL GROUP, Actinorhodin polyketide putative beta-ketoacyl synthase 1, Actinorhodin polyketide putative beta-ketoacyl synthase 2, ... | | Authors: | Keatinge-Clay, A.T, Maltby, D.A, Medzihradszky, K.F, Khosla, C, Stroud, R.M. | | Deposit date: | 2004-06-18 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An antibiotic factory caught in action.
Nat.Struct.Mol.Biol., 11, 2004
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1KEZ
 | | Crystal Structure of the Macrocycle-forming Thioesterase Domain of Erythromycin Polyketide Synthase (DEBS TE) | | Descriptor: | ERYTHRONOLIDE SYNTHASE | | Authors: | Tsai, S.-C, Miercke, L.J.W, Krucinski, J, Gokhale, R, Chen, J.C.-H, Foster, P.G, Cane, D.E, Khosla, C, Stroud, R.M. | | Deposit date: | 2001-11-19 | | Release date: | 2002-01-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the macrocycle-forming thioesterase domain of the erythromycin polyketide synthase: versatility from a unique substrate channel.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1XNY
 | | Biotin and propionyl-CoA bound to Acyl-CoA Carboxylase Beta Subunit from S. coelicolor (PccB) | | Descriptor: | BIOTIN, propionyl Coenzyme A, propionyl-CoA carboxylase complex B subunit | | Authors: | Diacovich, L, Mitchell, D.L, Pham, H, Gago, G, Melgar, M.M, Khosla, C, Gramajo, H, Tsai, S.-C. | | Deposit date: | 2004-10-05 | | Release date: | 2004-11-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the beta-Subunit of Acyl-CoA Carboxylase: Structure-Based Engineering of Substrate Specificity
Biochemistry, 43, 2004
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1XNW
 | | Acyl-CoA Carboxylase Beta Subunit from S. coelicolor (PccB), apo form #2, mutant D422I | | Descriptor: | propionyl-CoA carboxylase complex B subunit | | Authors: | Diacovich, L, Mitchell, D.L, Pham, H, Gago, G, Melgar, M.M, Khosla, C, Gramajo, H, Tsai, S.-C. | | Deposit date: | 2004-10-05 | | Release date: | 2004-11-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the beta-Subunit of Acyl-CoA Carboxylase: Structure-Based Engineering of Substrate Specificity
Biochemistry, 43, 2004
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1XNV
 | | Acyl-CoA Carboxylase Beta Subunit from S. coelicolor (PccB), apo form #1 | | Descriptor: | propionyl-CoA carboxylase complex B subunit | | Authors: | Diacovich, L, Mitchell, D.L, Pham, H, Gago, G, Melgar, M.M, Khosla, C, Gramajo, H, Tsai, S.-C. | | Deposit date: | 2004-10-05 | | Release date: | 2004-11-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of the beta-Subunit of Acyl-CoA Carboxylase: Structure-Based Engineering of Substrate Specificity
Biochemistry, 43, 2004
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1XO6
 | | Acyl-CoA Carboxylase Beta Subunit from S. coelicolor (PccB), apo form #3 | | Descriptor: | propionyl-CoA carboxylase complex B subunit | | Authors: | Diacovich, L, Mitchell, D.L, Pham, H, Gago, G, Melgar, M.M, Khosla, C, Gramajo, H, Tsai, S.-C. | | Deposit date: | 2004-10-05 | | Release date: | 2004-11-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the beta-Subunit of Acyl-CoA Carboxylase: Structure-Based Engineering of Substrate Specificity
Biochemistry, 43, 2004
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1MZJ
 | | Crystal Structure of the Priming beta-Ketosynthase from the R1128 Polyketide Biosynthetic Pathway | | Descriptor: | ACETYL GROUP, Beta-ketoacylsynthase III, COENZYME A | | Authors: | Pan, H, Tsai, S.C, Meadows, E.S, Miercke, L.J.W, Keatinge-Clay, A, O'Connell, J, Khosla, C, Stroud, R.M. | | Deposit date: | 2002-10-08 | | Release date: | 2002-12-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the priming beta-ketosynthase from the
R1128 polyketide biosynthetic pathway
Structure, 10
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