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6KXF
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BU of 6kxf by Molmil
The ishigamide ketosynthase/chain length factor
分子名称: ACP, Ketosynthase, [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
著者Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y.
登録日2019-09-10
公開日2020-05-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural basis for selectivity in a highly reducing type II polyketide synthase.
Nat.Chem.Biol., 16, 2020
4KEH
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BU of 4keh by Molmil
Crosslinked Crystal Structure of Type II Fatty Synthase Dehydratase, FabA, and Acyl Carrier Protein, AcpP
分子名称: Acyl carrier protein, N-{3-[DIHYDROXY(NONYL)-LAMBDA~4~-SULFANYL]PROPYL}-N~3~-[(2R)-2-HYDROXY-3,3-DIMETHYL-4-(PHOSPHONOOXY)BUTANOYL]-BETA-ALANINAMIDE, N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
著者Nguyen, C, Haushalter, R, Finzel, K, Leong, J, Le, B.C, Burkart, M, Tsai, S.C.
登録日2013-04-25
公開日2013-12-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Trapping the dynamic acyl carrier protein in fatty acid biosynthesis.
Nature, 505, 2014
6KXE
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BU of 6kxe by Molmil
The ishigamide ketosynthase/chain length factor
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ...
著者Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y.
登録日2019-09-10
公開日2020-05-06
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural basis for selectivity in a highly reducing type II polyketide synthase.
Nat.Chem.Biol., 16, 2020
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
5KOF
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BU of 5kof by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and Acyl Carrier Protein, AcpP
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, [(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
著者Milligan, J.C, Jackson, D.R, Barajas, J.F, Tsai, S.C.
登録日2016-06-30
公開日2018-01-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for interactions between an acyl carrier protein and a ketosynthase.
Nat.Chem.Biol., 15, 2019
6N3P
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BU of 6n3p by Molmil
Crosslinked AcpP=FabZ complex from E. coli Type II FAS
分子名称: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
著者Smith, J.L, Dodge, G.J.
登録日2018-11-15
公開日2019-03-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and dynamical rationale for fatty acid unsaturation inEscherichia coli.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6O6E
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BU of 6o6e by Molmil
Crystal structure of PltF trapped with PltL using a proline adenosine vinylsulfonamide inhibitor
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, FORMIC ACID, ...
著者Corpuz, J.C, Podust, L.M.
登録日2019-03-06
公開日2020-04-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Dynamic visualization of type II peptidyl carrier protein recognition in pyoluteorin biosynthesis.
Rsc Chem Biol, 1, 2020
4DC1
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BU of 4dc1 by Molmil
Crystal Structure of Y202F Actinorhodin Polyketide Ketoreductase with NADPH
分子名称: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Javidpour, P, Tsai, S.-C.
登録日2012-01-16
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
4DBZ
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BU of 4dbz by Molmil
Crystal Structure of V151L Actinorhodin Polyketide Ketoreductase with NADPH
分子名称: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Javidpour, P, Tsai, S.-C.
登録日2012-01-16
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.643 Å)
主引用文献The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
4DC0
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BU of 4dc0 by Molmil
Crystal Structure of F189W Actinorhodin Polyketide Ketoreductase with NADPH
分子名称: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Javidpour, P, Tsai, S.-C.
登録日2012-01-16
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.813 Å)
主引用文献The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
7THN
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BU of 7thn by Molmil
Crystal structure of PigI trapped with PigG using a proline adenosine vinylsulfonamide inhibitor
分子名称: 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, AZIDE ION, GLYCEROL, ...
著者Corpuz, J.C, Podust, L.M.
登録日2022-01-11
公開日2022-11-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Essential Role of Loop Dynamics in Type II NRPS Biomolecular Recognition.
Acs Chem.Biol., 17, 2022
7THQ
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BU of 7thq by Molmil
Crystal structure of PltF trapped with PigG using a proline adenosine vinylsulfonamide inhibitor
分子名称: 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, AZIDE ION, L-proline--[L-prolyl-carrier protein] ligase, ...
著者Corpuz, J.C, Podust, L.M.
登録日2022-01-11
公開日2022-11-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Essential Role of Loop Dynamics in Type II NRPS Biomolecular Recognition.
Acs Chem.Biol., 17, 2022
5IK6
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BU of 5ik6 by Molmil
Tobacco 5-epi-aristolochene synthase with germacrene A and PPi
分子名称: 5-epi-aristolochene synthase, DIPHOSPHATE, GERMACRENE A, ...
著者Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P.
登録日2016-03-03
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
5IKA
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BU of 5ika by Molmil
Tobacco 5-epi-aristolochene synthase with PPi
分子名称: 5-epi-aristolochene synthase, DIPHOSPHATE, MAGNESIUM ION
著者Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P.
登録日2016-03-03
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
5IKH
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BU of 5ikh by Molmil
Tobacco 5-epi-aristolochene synthase M4 mutant with (-)-premnaspirodiene
分子名称: (2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene, 5-epi-aristolochene synthase, MAGNESIUM ION
著者Koo, H.J, O'Maille, P.E, Louie, G.V, Bowman, M, Noel, J.P.
登録日2016-03-03
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
5IK0
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BU of 5ik0 by Molmil
Tobacco 5-epi-aristolochene synthase with FPP
分子名称: 5-epi-aristolochene synthase, FARNESYL DIPHOSPHATE, MAGNESIUM ION
著者Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P.
登録日2016-03-03
公開日2016-10-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
5IK9
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BU of 5ik9 by Molmil
Tobacco 5-epi-aristolochene with farnesyl monophosphate
分子名称: (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 5-epi-aristolochene synthase, MAGNESIUM ION
著者Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P.
登録日2016-03-03
公開日2016-10-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
8EXG
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BU of 8exg by Molmil
Human Carbonic Anhydrase II bound N-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)-4-sulfamoylbenzamide
分子名称: (4S)-5-amino-4-{1,3-dioxo-4-[(2-{2-[2-(4-sulfamoylbenzamido)ethoxy]ethoxy}ethyl)amino]-1,3-dihydro-2H-isoindol-2-yl}-5-oxopentanoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Kohlbrand, A.J, O'Herin, C.B.
登録日2022-10-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
8EXC
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BU of 8exc by Molmil
Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide, ...
著者Kohlbrand, A.J, O'Herin, C.B.
登録日2022-10-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
1OFN
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BU of 1ofn by Molmil
Purification, crystallisation and preliminary structural studies of dTDP-4-keto-6-deoxy-glucose-5-epimerase (EvaD) from Amycolatopsis orientalis; the fourth enzyme in the dTDP-L-epivancosamine biosynthetic pathway.
分子名称: GLYCEROL, PCZA361.16
著者Merkel, A.B, Naismith, J.H.
登録日2003-04-17
公開日2004-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Purification, Crystallization and Preliminary Structural Studies of Dtdp-4-Keto-6-Deoxy-Glucose-5-Epimerase (Evad) from Amycolatopsis Orientalis, the Fourth Enzyme in the Dtdp-L-Epivancosamine Biosynthetic Pathway.
Acta Crystallogr.,Sect.D, 58, 2002
1OI6
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BU of 1oi6 by Molmil
Structure determination of the TMP-complex of EvaD
分子名称: GLYCEROL, PCZA361.16, THYMIDINE-5'-PHOSPHATE
著者Merkel, A.B, Naismith, J.H.
登録日2003-06-09
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Position of a Key Tyrosine in Dtdp-4-Keto-6-Deoxy-D-Glucose-5-Epimerase (Evad) Alters the Substrate Profile for This Rmlc-Like Enzyme
J.Biol.Chem., 279, 2004
8EMU
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BU of 8emu by Molmil
Human Carbonic Anhydrase II Heterobifunctional Degraders
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(2-methoxyethyl)-4-sulfamoylbenzamide, ...
著者Kohlbrand, A.J, O'Herin, C.B.
登録日2022-09-28
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 66, 2023
8EYL
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BU of 8eyl by Molmil
Human Carbonic Anhydrase II with Tert-butyl (2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)carbamate
分子名称: 2-[[(2~{R})-1-azanyl-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]-6-[2-[2-[(4-sulfamoylphenyl)carbonylamino]ethoxy]ethylamino]benzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Kohlbrand, A.J, O'Herin, C.B.
登録日2022-10-27
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
1WA4
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BU of 1wa4 by Molmil
Crystal structure of the M131F L135A EvaD double mutant
分子名称: GLYCEROL, PCZA361.16
著者Merkel, A.B, Naismith, J.H.
登録日2004-10-22
公開日2007-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the M131F L135A Evad Double Mutant
To be Published
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件を2025-07-09に公開中

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