8PFZ
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![BU of 8pfz by Molmil](/molmil-images/mine/8pfz) | Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid | Descriptor: | (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, ... | Authors: | Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. | Deposit date: | 2023-06-17 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
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5T2V
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![BU of 5t2v by Molmil](/molmil-images/mine/5t2v) | Crystal structure of MSMEG_6753 a putative betaketoacyl-ACP reductase | Descriptor: | MAGNESIUM ION, Oxidoreductase, short chain dehydrogenase/reductase family protein | Authors: | Blaise, M, Van Wyk, N, Baneres-Roquet, F, Guerardel, Y, Kremer, L. | Deposit date: | 2016-08-24 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 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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5T2U
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![BU of 5t2u by Molmil](/molmil-images/mine/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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4OTY
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![BU of 4oty by Molmil](/molmil-images/mine/4oty) | Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Windsor, M.A, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-02-14 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.354 Å) | Cite: | Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib. Bioorg.Med.Chem.Lett., 23, 2013
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2PNO
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![BU of 2pno by Molmil](/molmil-images/mine/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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5ZY8
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![BU of 5zy8 by Molmil](/molmil-images/mine/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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2N50
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![BU of 2n50 by Molmil](/molmil-images/mine/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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3MDL
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![BU of 3mdl by Molmil](/molmil-images/mine/3mdl) | X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of cyclooxygenase-2 | Descriptor: | (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vecchio, A.J, Malkowski, M.G. | Deposit date: | 2010-03-30 | Release date: | 2011-04-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structural basis of endocannabinoid oxygenation by cyclooxygenase-2. J.Biol.Chem., 286, 2011
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4CL6
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![BU of 4cl6 by Molmil](/molmil-images/mine/4cl6) | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine | Descriptor: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H. | Deposit date: | 2014-01-13 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A Substrate Mimic Allows High Throughput Assay of the Faba Protein and Consequently the Identification of a Novel Inhibitor of Pseudomonas Aeruginosa Faba. J.Mol.Biol., 428, 2016
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4KRC
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![BU of 4krc by Molmil](/molmil-images/mine/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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3RR3
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![BU of 3rr3 by Molmil](/molmil-images/mine/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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3Q7D
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![BU of 3q7d by Molmil](/molmil-images/mine/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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5VNS
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![BU of 5vns by Molmil](/molmil-images/mine/5vns) | M.tb Antigen 85C Acyl-Enzyme Intermediate with Tetrahydrolipstatin | Descriptor: | (2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ... | Authors: | Goins, C.M, Ronning, D.R. | Deposit date: | 2017-05-01 | Release date: | 2018-01-24 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Mycolyltransferase fromMycobacterium tuberculosisin covalent complex with tetrahydrolipstatin provides insights into antigen 85 catalysis. J. Biol. Chem., 293, 2018
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7LLA
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![BU of 7lla by Molmil](/molmil-images/mine/7lla) | |
7LJ9
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![BU of 7lj9 by Molmil](/molmil-images/mine/7lj9) | |
3KXO
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![BU of 3kxo by Molmil](/molmil-images/mine/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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4EFI
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![BU of 4efi by Molmil](/molmil-images/mine/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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2E4J
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![BU of 2e4j by Molmil](/molmil-images/mine/2e4j) | |
1Q7B
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![BU of 1q7b by Molmil](/molmil-images/mine/1q7b) | The structure of betaketoacyl-[ACP] reductase from E. coli in complex with NADP+ | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, CALCIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Price, A.C, Zhang, Y.-M, Rock, C.O, White, S.M. | Deposit date: | 2003-08-17 | Release date: | 2004-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cofactor-Induced Conformational Rearrangements Establish a Catalytically Competent Active Site and a Proton Relay Conduit in FabG Structure, 12, 2004
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1Q7C
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![BU of 1q7c by Molmil](/molmil-images/mine/1q7c) | The structure of betaketoacyl-[ACP] reductase Y151F mutant in complex with NADPH fragment | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Price, A.C, Zhang, Y.-M, Rock, C.O, White, S.M. | Deposit date: | 2003-08-17 | Release date: | 2004-02-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cofactor-Induced Conformational Rearrangements Establish a Catalytically Competent Active Site and a
Proton Relay Conduit in FabG Structure, 12, 2004
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3NTB
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![BU of 3ntb by Molmil](/molmil-images/mine/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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3NT1
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![BU of 3nt1 by Molmil](/molmil-images/mine/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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5USR
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![BU of 5usr by Molmil](/molmil-images/mine/5usr) | |
3KMO
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![BU of 3kmo by Molmil](/molmil-images/mine/3kmo) | |
3CLI
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![BU of 3cli by Molmil](/molmil-images/mine/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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