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3M0G
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BU of 3m0g by Molmil
CRYSTAL STRUCTURE OF putative farnesyl diphosphate synthase from Rhodobacter capsulatus
Descriptor: Farnesyl diphosphate synthase
Authors:Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-03-03
Release date:2010-03-31
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:CRYSTAL STRUCTURE OF putative farnesyl diphosphate synthase from Rhodobacter capsulatus
To be Published
3MS7
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BU of 3ms7 by Molmil
Glycogen phosphorylase complexed with 2-chlorobenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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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BU of 6xui by Molmil
Crystal structure of human phosphoglucose isomerase in complex with inhibitor
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-PHOSPHOARABINONIC ACID, GLYCEROL, ...
Authors:Li de la Sierra-Gallay, I, Ahmad, L, Plancqueel, S, van Tilbeurgh, H, Salmon, L.
Deposit date:2020-01-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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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BU of 6xuh by Molmil
Crystal structure of human phosphoglucose isomerase in complex with inhibitor
Descriptor: (2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate, 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase
Authors:Li de la Sierra-Gallay, I, Ahmad, L, Plancqueel, S, van Tilbeurgh, H, Salmon, L.
Deposit date:2020-01-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite: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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BU of 6y5o by Molmil
The crystal structure of glycogen phosphorylase in complex with 20
Descriptor: 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
Authors:Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2020-02-25
Release date:2020-08-19
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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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BU of 3mqf by Molmil
Glycogen phosphorylase complexed with 4-fluorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-28
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.951 Å)
Cite: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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BU of 3mrt by Molmil
Glycogen phosphorylase complexed with 4-pyridinecarboxaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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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BU of 3msc by Molmil
Glycogen phosphorylase complexed with 2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-03-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.951 Å)
Cite: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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BU of 6y8i by Molmil
Fragment KCL_I013 in complex with IL-1-beta
Descriptor: 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-05
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Fragment KCL_I013 in complex with IL-1-beta
To Be Published
7S0L
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BU of 7s0l by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723F
Descriptor: Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S0H
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BU of 7s0h by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723Y
Descriptor: Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S0A
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BU of 7s0a by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, H786A
Descriptor: Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
7S09
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BU of 7s09 by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, F760A
Descriptor: Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Geranyl diphosphate synthase large subunit, Geranyl diphosphate synthase small subunit, ...
Authors:Chang, T.-H, Ko, T.-P, Hsieh, F.-L, Wang, A.H.-J.
Deposit date:2009-11-18
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KRO
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BU of 3kro by Molmil
Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (II)
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
Authors:Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
Deposit date:2009-11-19
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3LJK
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BU of 3ljk by Molmil
Glucose-6-phosphate isomerase from Francisella tularensis.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors: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)
Deposit date:2010-01-26
Release date:2010-03-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
Authors: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)
Deposit date:2010-01-13
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites.
J.Biol.Chem., 286, 2011
3MRX
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BU of 3mrx by Molmil
Glycogen phosphorylase complexed with 4-methoxybenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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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BU of 3mtd by Molmil
Glycogen phosphorylase complexed with 4-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-30
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.096 Å)
Cite: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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BU of 3n5j by Molmil
Human fpps complex with NOV_311
Descriptor: 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Rondeau, J.-M.
Deposit date:2010-05-25
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N46
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BU of 3n46 by Molmil
Human FPPS complex with NOV_980 and zoledronic acid/MG2+
Descriptor: (2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ...
Authors:Rondeau, J.-M.
Deposit date:2010-05-21
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3MRV
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BU of 3mrv by Molmil
Glycogen phosphorylase complexed with 3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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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BU of 3mt7 by Molmil
Glycogen phosphorylase complexed with 4-bromobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-30
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 3nf2 by Molmil
Crystal structure of polyprenyl synthetase from Streptomyces coelicolor A3(2)
Descriptor: Putative polyprenyl synthetase, SULFATE ION
Authors: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)
Deposit date:2010-06-09
Release date:2010-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013

223532

數據於2024-08-07公開中

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