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5COX
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UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, PROTOPORPHYRIN IX CONTAINING FE
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
6LP1
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Crystal structure of acetate:succinate CoA transferase (ASCT) from Trypanosoma brucei.
分子名称: CALCIUM ION, GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase
著者Mochizuki, K, Inaoka, D.K, Shiba, T, Fukuda, K, Kurasawa, H, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Balogun, E.O, Harada, S, Hirayama, K, Kita, K.
登録日2020-01-08
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The ASCT/SCS cycle fuels mitochondrial ATP and acetate production in Trypanosoma brucei.
Biochim Biophys Acta Bioenerg, 1861, 2020
4COX
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CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, INDOMETHACIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, INDOMETHACIN, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Parker, M.W.
登録日2010-05-30
公開日2011-05-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
8PPP
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BU of 8ppp by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with AMP-CPP
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Fatty-acyl-CoA synthase
著者Tang, Q, Grogan, G.
登録日2023-07-07
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
3PGH
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BU of 3pgh by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, FLURBIPROFEN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, FLURBIPROFEN, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
5Y08
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BU of 5y08 by Molmil
Solution structure of the apo doublet acyl carrier protein from prodigiosin biosynthesis
分子名称: 4-hydroxy-2,2'-bipyrrole-5-methanol synthase PigH
著者Wattana-amorn, P.
登録日2017-07-15
公開日2018-12-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure and Conformational Dynamics of a Doublet Acyl Carrier Protein from Prodigiosin Biosynthesis.
Biochemistry, 2021
4X91
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Crystal structure of Lysosomal Phospholipase A2 in complex with Isopropyl dodec-11-enylfluorophosphonate (IDFP)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Glukhova, A, Tesmer, J.J.G.
登録日2014-12-11
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
4X94
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Crystal structure of Lysosomal Phospholipase A2 crystallized in the presence of methyl arachidonyl fluorophosphonate (hexagonal form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group XV phospholipase A2, ...
著者Glukhova, A, Tesmer, J.J.G.
登録日2014-12-11
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
4X90
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Crystal structure of Lysosomal Phospholipase A2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Glukhova, A, Tesmer, J.J.G.
登録日2014-12-11
公開日2015-03-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
4X93
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Crystal structure of Lysosomal Phospholipase A2 crystallized in the presence of methyl arachidonyl fluorophosphonate (tetragonal form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Glukhova, A, Tesmer, J.J.G.
登録日2014-12-11
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
5CSL
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BU of 5csl by Molmil
Crystal structure of the 500 kD yeast acetyl-CoA carboxylase holoenzyme dimer
分子名称: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Acetyl-CoA carboxylase, COENZYME A
著者Wei, J, Tong, L.
登録日2015-07-23
公開日2015-10-28
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the 500-kDa yeast acetyl-CoA carboxylase holoenzyme dimer.
Nature, 526, 2015
5CSK
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Crystal structure of yeast acetyl-CoA carboxylase, unbiotinylated
分子名称: Acetyl-CoA carboxylase
著者Wei, J, Tong, L.
登録日2015-07-23
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of the 500-kDa yeast acetyl-CoA carboxylase holoenzyme dimer.
Nature, 526, 2015
1P45
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BU of 1p45 by Molmil
Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Kuo, M.R, Morbidoni, H.R, Alland, D, Sneddon, S.F, Gourlie, B.B, Staveski, M.M, Leonard, M, Gregory, J.S, Janjigian, A.D, Yee, C, Musser, J.M, Kreiswirth, B.N, Iwamoto, H, Perozzo, R, Jacobs Jr, W.R, Sacchettini, J.C, Fidock, D.A, TB Structural Genomics Consortium (TBSGC)
登録日2003-04-21
公開日2003-09-16
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.
J.Biol.Chem., 278, 2003
3WXZ
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BU of 3wxz by Molmil
The structure of the I375F mutant of CsyB
分子名称: Putative uncharacterized protein csyB
著者Mori, T, Yang, D, Matsui, T, Morita, H, Fujii, I, Abe, I.
登録日2014-08-13
公開日2015-01-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Structural basis for the formation of acylalkylpyrones from two beta-ketoacyl units by the fungal type III polyketide synthase CsyB.
J.Biol.Chem., 290, 2015
3WY0
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BU of 3wy0 by Molmil
The I375W mutant of CsyB complexed with CoA-SH
分子名称: COENZYME A, Putative uncharacterized protein csyB
著者Mori, T, Yang, D, Matsui, T, Morita, H, Fujii, I, Abe, I.
登録日2014-08-13
公開日2015-01-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural basis for the formation of acylalkylpyrones from two beta-ketoacyl units by the fungal type III polyketide synthase CsyB.
J.Biol.Chem., 290, 2015
3WXY
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BU of 3wxy by Molmil
Crystal structure of CsyB complexed with CoA-SH
分子名称: COENZYME A, Putative uncharacterized protein csyB
著者Mori, T, Yang, D, Matsui, T, Morita, H, Fujii, I, Abe, I.
登録日2014-08-13
公開日2015-01-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.706 Å)
主引用文献Structural basis for the formation of acylalkylpyrones from two beta-ketoacyl units by the fungal type III polyketide synthase CsyB.
J.Biol.Chem., 290, 2015
6B2T
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BU of 6b2t by Molmil
Crystal structure of Xanthomonas campestris OleA H285D
分子名称: 3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION
著者Jensen, M.R, Goblirsch, B.R, Esler, M.A, Christenson, J.K, Mohamed, F.A, Wackett, L.P, Wilmot, C.M.
登録日2017-09-20
公開日2018-02-28
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The role of OleA His285 in orchestration of long-chain acyl-coenzyme A substrates.
FEBS Lett., 592, 2018
7WUA
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Crystal structures of FadD32 from Corynebacterium diphtheriae
分子名称: Acyl-CoA synthase, MAGNESIUM ION, MYRISTIC ACID, ...
著者Liu, X.
登録日2022-02-07
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae
Biochem Biophys Res Commun, 590, 2022
6ZTC
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BU of 6ztc by Molmil
CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION.
分子名称: 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one, GLUTATHIONE, GLYCEROL, ...
著者Somers, D.O.
登録日2020-07-17
公開日2021-07-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
3LN0
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Structure of compound 5c-S bound at the active site of COX-2
分子名称: (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic 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Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L.
登録日2010-02-01
公開日2010-10-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
6RCX
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BU of 6rcx by Molmil
Mycobacterial 4'-phosphopantetheinyl transferase PptAb in complex with the ACP domain of PpsC.
分子名称: CACODYLATE ION, COENZYME A, MANGANESE (II) ION, ...
著者Nguyen, M.C, Mourey, L, Pedelacq, J.D.
登録日2019-04-12
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
6V3R
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Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ...
著者Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
登録日2019-11-26
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
1OR5
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SOLUTION STRUCTURE OF THE HOLO-FORM OF THE FRENOLICIN ACYL CARRIER PROTEIN, MINIMIZED MEAN STRUCTURE
分子名称: acyl carrier protein
著者Li, Q, Khosla, C, Puglisi, J, Liu, C.W.
登録日2003-03-11
公開日2003-07-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure and Backbone Dynamics of the Holo Form of the Frenolicin Acyl Carrier Protein
Biochemistry, 42, 2003
4I45
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Crystal Structure of Orf6 protein from Photobacterium profundum, Mg2+-bound form
分子名称: MAGNESIUM ION, ORF6 thioesterase
著者Rodriguez-Guilbe, M.M, Baerga-Ortiz, A, Schreiter, E.R.
登録日2012-11-27
公開日2013-02-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure, Activity, and Substrate Selectivity of the Orf6 Thioesterase from Photobacterium profundum.
J.Biol.Chem., 288, 2013

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