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3M0G
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CRYSTAL STRUCTURE OF putative farnesyl diphosphate synthase from Rhodobacter capsulatus
分子名称: Farnesyl diphosphate synthase
著者Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-03-03
公開日2010-03-31
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CRYSTAL STRUCTURE OF putative farnesyl diphosphate synthase from Rhodobacter capsulatus
To be Published
3MS7
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Glycogen phosphorylase complexed with 2-chlorobenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl) thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
6XUI
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Crystal structure of human phosphoglucose isomerase in complex with inhibitor
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-PHOSPHOARABINONIC ACID, GLYCEROL, ...
著者Li de la Sierra-Gallay, I, Ahmad, L, Plancqueel, S, van Tilbeurgh, H, Salmon, L.
登録日2020-01-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel N-substituted 5-phosphate-d-arabinonamide derivatives as strong inhibitors of phosphoglucose isomerases: Synthesis, structure-activity relationship and crystallographic studies.
Bioorg.Chem., 102, 2020
6XUH
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Crystal structure of human phosphoglucose isomerase in complex with inhibitor
分子名称: (2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate, 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase
著者Li de la Sierra-Gallay, I, Ahmad, L, Plancqueel, S, van Tilbeurgh, H, Salmon, L.
登録日2020-01-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Novel N-substituted 5-phosphate-d-arabinonamide derivatives as strong inhibitors of phosphoglucose isomerases: Synthesis, structure-activity relationship and crystallographic studies.
Bioorg.Chem., 102, 2020
6Y5O
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The crystal structure of glycogen phosphorylase in complex with 20
分子名称: 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
著者Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
登録日2020-02-25
公開日2020-08-19
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
3MQF
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Glycogen phosphorylase complexed with 4-fluorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-28
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MRT
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Glycogen phosphorylase complexed with 4-pyridinecarboxaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MSC
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Glycogen phosphorylase complexed with 2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-03-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献The binding of beta-d-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: A new class of inhibitors.
Bioorg.Med.Chem., 18, 2010
6Y8I
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Fragment KCL_I013 in complex with IL-1-beta
分子名称: 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea, Interleukin-1 beta, SULFATE ION
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Fragment KCL_I013 in complex with IL-1-beta
To Be Published
7S0L
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Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723F
分子名称: Terpene synthase
著者Ronnebaum, T.A, Christianson, D.W.
登録日2021-08-30
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S0H
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Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723Y
分子名称: Terpene synthase
著者Ronnebaum, T.A, Christianson, D.W.
登録日2021-08-30
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S0A
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Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, H786A
分子名称: Terpene synthase
著者Ronnebaum, T.A, Christianson, D.W.
登録日2021-08-30
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S09
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Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, F760A
分子名称: Terpene synthase
著者Ronnebaum, T.A, Christianson, D.W.
登録日2021-08-30
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S0M
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BU of 7s0m by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723T, bound with non-productive isopentenyl diphosphate
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Terpene synthase
著者Ronnebaum, T.A, Christianson, D.W.
登録日2021-08-30
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
3KRA
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BU of 3kra by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium
分子名称: 1,2-ETHANEDIOL, Geranyl diphosphate synthase large subunit, Geranyl diphosphate synthase small subunit, ...
著者Chang, T.-H, Ko, T.-P, Hsieh, F.-L, Wang, A.H.-J.
登録日2009-11-18
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KRO
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Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (II)
分子名称: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
著者Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
登録日2009-11-19
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3LJK
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Glucose-6-phosphate isomerase from Francisella tularensis.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-01-26
公開日2010-03-16
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献X-ray crystal structure of glucose-6-phosphate isomerase from Francisella tularensis.
To be Published
3LDW
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BU of 3ldw by Molmil
Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound
分子名称: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
著者Wernimont, A.K, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2010-01-13
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites.
J.Biol.Chem., 286, 2011
3MRX
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Glycogen phosphorylase complexed with 4-methoxybenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MTD
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Glycogen phosphorylase complexed with 4-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-30
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3N5J
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Human fpps complex with NOV_311
分子名称: 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-25
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N46
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Human FPPS complex with NOV_980 and zoledronic acid/MG2+
分子名称: (2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ...
著者Rondeau, J.-M.
登録日2010-05-21
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3MRV
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Glycogen phosphorylase complexed with 3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
分子名称: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MT7
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Glycogen phosphorylase complexed with 4-bromobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-30
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3NF2
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Crystal structure of polyprenyl synthetase from Streptomyces coelicolor A3(2)
分子名称: Putative polyprenyl synthetase, SULFATE ION
著者Patskovsky, Y, Toro, R, Dickey, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York Structural GenomiX Research Consortium (NYSGXRC), New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-06-09
公開日2010-08-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013

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件を2024-08-07に公開中

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