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5ZY8
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Crystal structure of C terminal truncated HadBC (3R-Hydroxyacyl-ACP Dehydratase) complex from Mycobacterium tuberculosis
分子名称: 3-hydroxyacyl-ACP dehydratase, UPF0336 protein Rv0637
著者Singh, B.K, Biswas, R, Bhattacharyya, S, Basak, A, Das, A.K.
登録日2018-05-23
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献The C-terminal end of mycobacterial HadBC regulates AcpM interaction during the FAS-II pathway: a structural perspective.
Febs J., 2022
5FDQ
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Murine COX-2 S530T mutant
分子名称: 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, ...
著者Lucido, M.J, Orlando, B.J, Malkowski, M.G.
登録日2015-12-16
公開日2016-03-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
3KXO
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An orally active inhibitor bound at the active site of HPGDS
分子名称: 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ...
著者Kiefer, J.R, Day, J.E, Thorarensen, A.
登録日2009-12-03
公開日2010-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
2N50
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Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis
分子名称: Acyl carrier protein
著者Park, Y, Jung, M, Song, H, Jeong, K, Kim, Y.
登録日2015-07-02
公開日2015-12-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis.
J. Biol. Chem., 291, 2016
5F1A
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BU of 5f1a by Molmil
The Crystal Structure of Salicylate Bound to Human Cyclooxygenase-2
分子名称: 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lucido, M.J, Orlando, B.J, Malkowski, M.G.
登録日2015-11-30
公開日2016-03-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
2PNO
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BU of 2pno by Molmil
Crystal structure of human leukotriene C4 synthase
分子名称: DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, Leukotriene C4 synthase
著者Ago, H, Kanaoka, Y, Irikura, D, Lam, B.K, Shimamura, T, Austen, K.F, Miyano, M.
登録日2007-04-24
公開日2007-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of a human membrane protein involved in cysteinyl leukotriene biosynthesis
Nature, 448, 2007
3MWE
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BU of 3mwe by Molmil
Truncated Human ATP-Citrate Lyase with Tartrate Bound
分子名称: ATP-citrate synthase, L(+)-TARTARIC ACID, MAGNESIUM ION
著者Fraser, M.E, Sun, T.
登録日2010-05-05
公開日2010-06-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of the citrate-binding site of human ATP-citrate lyase using X-ray crystallography.
J.Biol.Chem., 285, 2010
8COU
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BU of 8cou by Molmil
Pa.FabF-C164Q in complex with 3-acetamido-4-methoxybenzoic acid
分子名称: 3-acetamido-4-methoxy-benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Georgiou, C, Brenk, R.
登録日2023-02-28
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8COV
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Pa.FabF-C164Q in complex with 6-chloro-2-methyl-1H-indole-5-carboxylic acid
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Georgiou, C, Brenk, R, Espeland, L.O.
登録日2023-02-28
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CN4
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Pa.FabF-C164Q in complex with 5-acetamido-2-chlorobenzoic acid
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-acetamido-2-chloranyl-benzoic acid, DIMETHYL SULFOXIDE, ...
著者Georgiou, C, Brenk, R.
登録日2023-02-21
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
7EQI
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BU of 7eqi by Molmil
ChlB3 [Aceyltransferase]
分子名称: ChlB3
著者Saeed, A.U, Zheng, J.
登録日2021-05-02
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Insight of KSIII ( beta-Ketoacyl-ACP Synthase)-like Acyltransferase ChlB3 in the Biosynthesis of Chlorothricin.
Molecules, 27, 2022
8PFZ
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BU of 8pfz by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid
分子名称: (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, ...
著者Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O.
登録日2023-06-17
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
7K73
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BU of 7k73 by Molmil
Structure of Enoyl-[acyl-carrier-protein] reductase [NADH] from Mycobacterium fortuitum bound to NAD
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-22
公開日2020-10-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献In Vitro and In Vivo Efficacy of NITD-916 against Mycobacterium fortuitum.
Antimicrob.Agents Chemother., 2023
4KRC
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BU of 4krc by Molmil
Crystal Structure of Pho85-Pcl10-ATP-gamma-S Complex
分子名称: Cyclin-dependent protein kinase PHO85, MAGNESIUM ION, PHO85 cyclin-10, ...
著者Quiocho, F.A, Zheng, F.
登録日2013-05-16
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition.
J.Biol.Chem., 288, 2013
2E4J
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BU of 2e4j by Molmil
Solution Structure of mouse Lipocalin-type Prostaglandin D Synthase
分子名称: Prostaglandin-H2 D-isomerase
著者Shimamoto, S, Ohkubo, T.
登録日2006-12-11
公開日2007-08-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of mouse Lipocalin-type Prostaglandin D Synthase
to be published
4CL6
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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
分子名称: 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
著者Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H.
登録日2014-01-13
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献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
5OJO
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BU of 5ojo by Molmil
Sirtuin 5 from Danio rerio in complex with 3-hydroxy-3-methylglutaryl-CPS1 peptide
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carbamoyl-phosphate synthase [ammonia], ...
著者Pannek, M, Steegborn, C.
登録日2017-07-22
公開日2017-11-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
1KLP
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BU of 1klp by Molmil
The Solution Structure of Acyl Carrier Protein from Mycobacterium tuberculosis
分子名称: MEROMYCOLATE EXTENSION ACYL CARRIER PROTEIN
著者Wong, H.C, Liu, G, Zhang, Y.-M, Rock, C.O, Zheng, J.
登録日2001-12-12
公開日2002-06-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The solution structure of acyl carrier protein from Mycobacterium tuberculosis.
J.Biol.Chem., 277, 2002
3Q7D
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BU of 3q7d by Molmil
Structure of (R)-naproxen bound to mCOX-2.
分子名称: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Marnett, L.J.
登録日2011-01-04
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
4EFI
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Crystal Structure of 3-oxoacyl-(Acyl-carrier protein) Synthase from Burkholderia Xenovorans LB400
分子名称: 3-oxoacyl-(Acyl-carrier protein) synthase, CHLORIDE ION, FORMIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease, Craig, T.K, Abendroth, J, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-03-29
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3RR3
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BU of 3rr3 by Molmil
Structure of (R)-flurbiprofen bound to mCOX-2
分子名称: (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Oates, J.A, Marnett, L.J.
登録日2011-04-28
公開日2011-11-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.842 Å)
主引用文献(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
3MDL
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X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of cyclooxygenase-2
分子名称: (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, ...
著者Vecchio, A.J, Malkowski, M.G.
登録日2010-03-30
公開日2011-04-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structural basis of endocannabinoid oxygenation by cyclooxygenase-2.
J.Biol.Chem., 286, 2011
2Z6I
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Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
著者Saito, J, Yamada, M, Watanabe, T, Takeuchi, Y.
登録日2007-08-01
公開日2008-04-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of enoyl-acyl carrier protein reductase (FabK) from Streptococcus pneumoniae reveals the binding mode of an inhibitor.
Protein Sci., 17, 2008
5USR
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Crystal structure of human NFS1-ISD11 in complex with E. coli acyl-carrier protein at 3.09 angstroms
分子名称: Acyl carrier protein, Cysteine desulfurase, mitochondrial, ...
著者Cory, S.A, Barondeau, D.P.
登録日2017-02-13
公開日2017-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structure of human Fe-S assembly subcomplex reveals unexpected cysteine desulfurase architecture and acyl-ACP-ISD11 interactions.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6ET2
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Crystal structure of PqsBC (C129A) mutant from Pseudomonas aeruginosa (crystal form 3)
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, PqsB, PqsC
著者Witzgall, F, Blankenfeldt, W.
登録日2017-10-25
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018

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