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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
5T2V
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BU of 5t2v by Molmil
Crystal structure of MSMEG_6753 a putative betaketoacyl-ACP reductase
分子名称: MAGNESIUM ION, Oxidoreductase, short chain dehydrogenase/reductase family protein
著者Blaise, M, Van Wyk, N, Baneres-Roquet, F, Guerardel, Y, Kremer, L.
登録日2016-08-24
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Binding of NADP(+) triggers an open-to-closed transition in a mycobacterial FabG beta-ketoacyl-ACP reductase.
Biochem. J., 474, 2017
5T2U
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short chain dehydrogenase/reductase family protein
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, short chain dehydrogenase/reductase family protein
著者Mickael, B, Van Wyk, N, Baneres-Roquet, F, Yann, G, Laurent, K.
登録日2016-08-24
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Binding of NADP(+) triggers an open-to-closed transition in a mycobacterial FabG beta-ketoacyl-ACP reductase.
Biochem. J., 474, 2017
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
3KXO
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BU of 3kxo by Molmil
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
4CL6
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BU of 4cl6 by Molmil
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
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
5ZY8
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BU of 5zy8 by Molmil
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
3MDL
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BU of 3mdl by Molmil
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2023-09-06
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
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2020-07-29
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
1E51
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BU of 1e51 by Molmil
Crystal structure of native human erythrocyte 5-aminolaevulinic acid dehydratase
分子名称: 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, SULFATE ION, ...
著者Mills-Davies, N.L, Thompson, D, Cooper, J.B, Shoolingin-Jordan, P.M.
登録日2000-07-13
公開日2001-07-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献The Crystal Structure of Human Ala-Dehydratase
To be Published
4EFI
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BU of 4efi by Molmil
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
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
3KMO
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BU of 3kmo by Molmil
Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent DTT)
分子名称: CALCIUM ION, ETHACRYNIC ACID, GLUTATHIONE, ...
著者Parker, L.J.
登録日2009-11-11
公開日2010-03-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Diuretic drug binding to human glutathione transferase P1-1: potential role of CYS101 revealed in the double mutant C47S/Y108V
To be Published
7LLA
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BU of 7lla by Molmil
Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate (EM map was generated in Cryosparc with non-uniform refinement)
分子名称: ACETYL COENZYME *A, ATP-citrate synthase, OXALOACETATE ION
著者Wei, X, Marmorstein, R.
登録日2021-02-03
公開日2021-03-03
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Reply to: Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
7LJ9
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BU of 7lj9 by Molmil
Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate
分子名称: ACETYL COENZYME *A, ATP-citrate synthase, OXALOACETATE ION
著者Wei, X, Marmorstein, R.
登録日2021-01-28
公開日2021-03-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Reply to: Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
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
6ET2
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BU of 6et2 by Molmil
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
1Q7B
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BU of 1q7b by Molmil
The structure of betaketoacyl-[ACP] reductase from E. coli in complex with NADP+
分子名称: 3-oxoacyl-[acyl-carrier protein] reductase, CALCIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Price, A.C, Zhang, Y.-M, Rock, C.O, White, S.M.
登録日2003-08-17
公開日2004-02-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cofactor-Induced Conformational Rearrangements Establish a Catalytically Competent Active Site and a Proton Relay Conduit in FabG
Structure, 12, 2004
1Q7C
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BU of 1q7c by Molmil
The structure of betaketoacyl-[ACP] reductase Y151F mutant in complex with NADPH fragment
分子名称: 3-oxoacyl-[acyl-carrier protein] reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Price, A.C, Zhang, Y.-M, Rock, C.O, White, S.M.
登録日2003-08-17
公開日2004-02-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Cofactor-Induced Conformational Rearrangements Establish a Catalytically Competent Active Site and a Proton Relay Conduit in FabG
Structure, 12, 2004
3NT1
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BU of 3nt1 by Molmil
High resolution structure of naproxen:COX-2 complex.
分子名称: (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, ...
著者Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J.
登録日2010-07-02
公開日2010-09-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
3NTB
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Structure of 6-methylthio naproxen analog bound to mCOX-2.
分子名称: (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, ...
著者Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J.
登録日2010-07-03
公開日2010-09-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
5USR
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BU of 5usr by Molmil
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
5OCJ
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BU of 5ocj by Molmil
Crystal structure of Ag85C bound to cyclophostin 8beta inhibitor
分子名称: DIMETHYL SULFOXIDE, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
著者Viljoen, A, Richard, M, Nguyen, P.C, Spilling, C.D, Canaan, S, Cavalier, J.F, Blaise, M, Kremer, L.
登録日2017-07-03
公開日2018-01-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cyclipostins and cyclophostin analogs inhibit the antigen 85C from
J. Biol. Chem., 293, 2018
2PFC
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BU of 2pfc by Molmil
Structure of Mycobacterium tuberculosis Rv0098
分子名称: Hypothetical protein Rv0098/MT0107, PALMITIC ACID
著者Wang, F, Sacchettini, J.C.
登録日2007-04-04
公開日2008-04-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of a type III thioesterase reveals the function of an operon crucial for Mtb virulence.
Chem.Biol., 14, 2007

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