5T2U
 
 | | short chain dehydrogenase/reductase family protein | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, short chain dehydrogenase/reductase family protein | | Authors: | Mickael, B, Van Wyk, N, Baneres-Roquet, F, Yann, G, Laurent, K. | | Deposit date: | 2016-08-24 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Binding of NADP(+) triggers an open-to-closed transition in a mycobacterial FabG beta-ketoacyl-ACP reductase.
Biochem. J., 474, 2017
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5F19
 | | The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lucido, M.J, Orlando, B.J, Malkowski, M.G. | | Deposit date: | 2015-11-30 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
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3Q7D
 | | Structure of (R)-naproxen bound to mCOX-2. | | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Marnett, L.J. | | Deposit date: | 2011-01-04 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
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3RR3
 | | Structure of (R)-flurbiprofen bound to mCOX-2 | | Descriptor: | (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Oates, J.A, Marnett, L.J. | | Deposit date: | 2011-04-28 | | Release date: | 2011-11-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.842 Å) | | Cite: | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
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5FDQ
 | | Murine COX-2 S530T mutant | | Descriptor: | 2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lucido, M.J, Orlando, B.J, Malkowski, M.G. | | Deposit date: | 2015-12-16 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
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4KRC
 | | Crystal Structure of Pho85-Pcl10-ATP-gamma-S Complex | | Descriptor: | Cyclin-dependent protein kinase PHO85, MAGNESIUM ION, PHO85 cyclin-10, ... | | Authors: | Quiocho, F.A, Zheng, F. | | Deposit date: | 2013-05-16 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition.
J.Biol.Chem., 288, 2013
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5USR
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3IB9
 | | Propionyl-CoA Carboxylase Beta Subunit, D422L | | Descriptor: | BIOTIN, Propionyl-CoA carboxylase complex B subunit, SULFATE ION | | Authors: | Diacovich, L, Arabolaza, A, Shillito, E.M, Lin, T.-W, Mitchell, D.L, Pham, H, Melgar, M.M. | | Deposit date: | 2009-07-15 | | Release date: | 2010-06-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures and mutational analyses of acyl-CoA carboxylase beta subunit of Streptomyces coelicolor.
Biochemistry, 49, 2010
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3IAV
 | | Propionyl-CoA Carboxylase Beta Subunit, D422V | | Descriptor: | Propionyl-CoA carboxylase complex B subunit, SULFATE ION | | Authors: | Diacovich, L, Arabolaza, A, Shillito, E.M, Lin, T.-W, Mitchell, D.L, Pham, H, Melgar, M.M. | | Deposit date: | 2009-07-14 | | Release date: | 2010-06-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures and mutational analyses of acyl-CoA carboxylase beta subunit of Streptomyces coelicolor.
Biochemistry, 49, 2010
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7EQI
 | | ChlB3 [Aceyltransferase] | | Descriptor: | ChlB3 | | Authors: | Saeed, A.U, Zheng, J. | | Deposit date: | 2021-05-02 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Insight of KSIII ( beta-Ketoacyl-ACP Synthase)-like Acyltransferase ChlB3 in the Biosynthesis of Chlorothricin.
Molecules, 27, 2022
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3IBB
 | | Propionyl-CoA Carboxylase Beta Subunit, D422A | | Descriptor: | Propionyl-CoA carboxylase complex B subunit | | Authors: | Diacovich, L, Arabolaza, A, Shillito, E.M, Lin, T.-W, Mitchell, D.L, Pham, H, Melgar, M.M. | | Deposit date: | 2009-07-15 | | Release date: | 2010-06-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structures and mutational analyses of acyl-CoA carboxylase beta subunit of Streptomyces coelicolor.
Biochemistry, 49, 2010
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2PNO
 | | Crystal structure of human leukotriene C4 synthase | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, Leukotriene C4 synthase | | Authors: | Ago, H, Kanaoka, Y, Irikura, D, Lam, B.K, Shimamura, T, Austen, K.F, Miyano, M. | | Deposit date: | 2007-04-24 | | Release date: | 2007-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of a human membrane protein involved in cysteinyl leukotriene biosynthesis
Nature, 448, 2007
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4EFI
 | | Crystal Structure of 3-oxoacyl-(Acyl-carrier protein) Synthase from Burkholderia Xenovorans LB400 | | Descriptor: | 3-oxoacyl-(Acyl-carrier protein) synthase, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease, Craig, T.K, Abendroth, J, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2012-03-29 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
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1KLP
 | | The Solution Structure of Acyl Carrier Protein from Mycobacterium tuberculosis | | Descriptor: | MEROMYCOLATE EXTENSION ACYL CARRIER PROTEIN | | Authors: | Wong, H.C, Liu, G, Zhang, Y.-M, Rock, C.O, Zheng, J. | | Deposit date: | 2001-12-12 | | Release date: | 2002-06-07 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The solution structure of acyl carrier protein from Mycobacterium tuberculosis.
J.Biol.Chem., 277, 2002
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5ZY8
 | | Crystal structure of C terminal truncated HadBC (3R-Hydroxyacyl-ACP Dehydratase) complex from Mycobacterium tuberculosis | | Descriptor: | 3-hydroxyacyl-ACP dehydratase, UPF0336 protein Rv0637 | | Authors: | Singh, B.K, Biswas, R, Bhattacharyya, S, Basak, A, Das, A.K. | | Deposit date: | 2018-05-23 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | The C-terminal end of mycobacterial HadBC regulates AcpM interaction during the FAS-II pathway: a structural perspective.
Febs J., 2022
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3KXO
 | | An orally active inhibitor bound at the active site of HPGDS | | Descriptor: | 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ... | | Authors: | Kiefer, J.R, Day, J.E, Thorarensen, A. | | Deposit date: | 2009-12-03 | | Release date: | 2010-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
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3NT1
 | | High resolution structure of naproxen:COX-2 complex. | | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J. | | Deposit date: | 2010-07-02 | | Release date: | 2010-09-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
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3NTB
 | | Structure of 6-methylthio naproxen analog bound to mCOX-2. | | Descriptor: | (2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | | Authors: | Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J. | | Deposit date: | 2010-07-03 | | Release date: | 2010-09-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
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2Z6I
 | | Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Saito, J, Yamada, M, Watanabe, T, Takeuchi, Y. | | Deposit date: | 2007-08-01 | | Release date: | 2008-04-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of enoyl-acyl carrier protein reductase (FabK) from Streptococcus pneumoniae reveals the binding mode of an inhibitor.
Protein Sci., 17, 2008
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5OCJ
 | | Crystal structure of Ag85C bound to cyclophostin 8beta inhibitor | | Descriptor: | DIMETHYL SULFOXIDE, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid | | Authors: | Viljoen, A, Richard, M, Nguyen, P.C, Spilling, C.D, Canaan, S, Cavalier, J.F, Blaise, M, Kremer, L. | | Deposit date: | 2017-07-03 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cyclipostins and cyclophostin analogs inhibit the antigen 85C from
J. Biol. Chem., 293, 2018
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2N50
 | | Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis | | Descriptor: | Acyl carrier protein | | Authors: | Park, Y, Jung, M, Song, H, Jeong, K, Kim, Y. | | Deposit date: | 2015-07-02 | | Release date: | 2015-12-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis.
J. Biol. Chem., 291, 2016
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6ET2
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3CLI
 | | Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) at 1.80 A Resolution | | Descriptor: | Allene Oxide Synthase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lee, D.-S, Nioche, P, Raman, C.S. | | Deposit date: | 2008-03-19 | | Release date: | 2008-08-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
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3KMO
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2PFC
 | | Structure of Mycobacterium tuberculosis Rv0098 | | Descriptor: | Hypothetical protein Rv0098/MT0107, PALMITIC ACID | | Authors: | Wang, F, Sacchettini, J.C. | | Deposit date: | 2007-04-04 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of a type III thioesterase reveals the function of an operon crucial for Mtb virulence.
Chem.Biol., 14, 2007
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