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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4RA0
 | | An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kariolis, M.S, Kapur, S, Mathews, I.I, Cochran, J.R. | | Deposit date: | 2014-09-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis.
Nat.Chem.Biol., 10, 2014
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6C9U
 | | Crystal structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase in complex with antibody fragment (Fab) | | Descriptor: | 6-deoxyerythronolide-B synthase EryA2, modules 3 and 4, Heavy chain of Fab 1B2, ... | | Authors: | Deis, L.N, Li, X, Mathews, I.I, Khosla, C. | | Deposit date: | 2018-01-28 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-Function Analysis of the Extended Conformation of a Polyketide Synthase Module.
J. Am. Chem. Soc., 140, 2018
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4RDS
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7MHA
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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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7S6B
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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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7SH1
 | | Class II UvrA protein - Ecm16 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Excinuclease ABC subunit UvrA, ... | | Authors: | Grade, P, Erlandson, A, Ullah, A, Mathews, I.I, Chen, X, Kim, C.-Y, Mera, P.E. | | Deposit date: | 2021-10-07 | | Release date: | 2022-10-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural and functional analyses of the echinomycin resistance conferring protein Ecm16 from Streptomyces lasalocidi.
Sci Rep, 13, 2023
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7T2U
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7U6Q
 | | TEM-1 beta-lactamase | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Ji, Z, Boxer, S.G, Mathews, I.I. | | Deposit date: | 2022-03-04 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of beta-Lactamases.
J.Am.Chem.Soc., 144, 2022
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1I7B
 | | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND S-ADENOSYLMETHIONINE METHYL ESTER | | Descriptor: | 1,4-DIAMINOBUTANE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, S-ADENOSYLMETHIONINE DECARBOXYLASE BETA CHAIN, ... | | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2001-03-08 | | Release date: | 2001-08-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
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1I72
 | | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE | | Descriptor: | 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2001-03-07 | | Release date: | 2001-08-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
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1I7C
 | | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) | | Descriptor: | 1,4-DIAMINOBUTANE, METHYLGLYOXAL BIS-(GUANYLHYDRAZONE), S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2001-03-08 | | Release date: | 2001-08-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
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1I7M
 | | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE | | Descriptor: | 1,4-DIAMINOBUTANE, 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2001-03-09 | | Release date: | 2001-08-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
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1I79
 | | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE | | Descriptor: | 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2001-03-08 | | Release date: | 2001-08-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
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8EIW
 | | Cobalt(II)-substituted Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, COBALT (II) ION, ... | | Authors: | Zheng, C, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2022-09-15 | | Release date: | 2023-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 2023
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8EIY
 | | Cobalt(II)-substituted S48T Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, COBALT (II) ION, ... | | Authors: | Zheng, C, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2022-09-15 | | Release date: | 2023-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 2023
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8EIX
 | | Cobalt(II)-substituted S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, COBALT (II) ION, ... | | Authors: | Zheng, C, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2022-09-15 | | Release date: | 2023-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 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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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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8ECU
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8ECS
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8ECT
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3RGA
 | | Crystal structure of epoxide hydrolase for polyether lasalocid A biosynthesis | | Descriptor: | (4R,5S)-3-[(2R)-2-{(2S,2'R,4S,5S,5'R)-2,5'-diethyl-5'-[(1S)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one, (4R,5S)-3-[(2R,3S,4S)-2-ethyl-5-[(3R)-2-ethyl-3-[2-[(2R,3R)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one, ACETATE ION, ... | | Authors: | Hotta, K, Mathews, I.I, Chen, X, Kim, C.-Y. | | Deposit date: | 2011-04-08 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Enzymatic catalysis of anti-Baldwin ring closure in polyether biosynthesis
Nature, 483, 2012
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