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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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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3RGI
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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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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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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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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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1YR2
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2FO5
| Crystal structure of recombinant barley cysteine endoprotease B isoform 2 (EP-B2) in complex with leupeptin | Descriptor: | ACE-LEU-LEU-argininal (leupeptin), Cysteine proteinase EP-B 2, SULFATE ION | Authors: | Bethune, M.T, Strop, P, Brunger, A.T, Khosla, C. | Deposit date: | 2006-01-12 | Release date: | 2006-07-18 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Heterologous Expression, Purification, Refolding, and Structural-Functional Characterization of EP-B2, a Self-Activating Barley Cysteine Endoprotease. Chem.Biol., 13, 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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7M7E
| 6-Deoxyerythronolide B synthase (DEBS) hybrid module (M3/1) in complex with antibody fragment 1B2 | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), 6-deoxyerythronolide-B synthase EryA2, ... | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
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7M7H
| 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1' | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
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7M7F
| 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1 | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
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7M7I
| 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2 (TE-free) | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI, ... | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
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7M7J
| 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: "turnstile closed" state (TE-free) | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
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7M7G
| 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2 | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | Deposit date: | 2021-03-28 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
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2JU1
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2JU2
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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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