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7FDB
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BU of 7fdb by Molmil
CryoEM Structures of Reconstituted V-ATPase,State2
Descriptor: Fusion of yeast V-type proton ATPase subunit H(NT) and human V-type proton ATPase subunit H(CT), V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Khan, M.M, Lee, S, Oot, R.A, Couoh-Cardel, S, KIm, H, Wilkens, S, Roh, S.H.
Deposit date:2021-07-16
Release date:2021-12-22
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:CryoEM Structures of Reconstituted V-ATPase and Oxr1-bound V1 Reveal a Novel Mechanism of Regulation.
Embo J., 2021
6QFB
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BU of 6qfb by Molmil
Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, CITRATE ANION, ...
Authors:Verstraete, K, Verschueren, K.
Deposit date:2019-01-09
Release date:2019-04-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
7FDE
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BU of 7fde by Molmil
CryoEM Structures of Reconstituted V-ATPase, Oxr1 bound V1
Descriptor: Oxidation resistance protein 1, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Khan, M.M, Lee, S, Oot, R.A, Couoh-Cardel, S, KIm, H, Wilkens, S, Roh, S.H.
Deposit date:2021-07-16
Release date:2021-12-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:CryoEM Structures of Reconstituted V-ATPase and Oxr1-bound V1 Reveal a Novel Mechanism of Regulation.
Embo J., 2021
8FF8
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BU of 8ff8 by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 2-[(4-CYANOPHENYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIMIDINE-4-CARBOXAMIDE
Descriptor: 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Muckelbauer, J.K, Lewis, H.A.
Deposit date:2022-12-08
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of 2-(Anilino)pyrimidine-4-carboxamides as Highly Potent, Selective, and Orally Active Glycogen Synthase Kinase-3 (GSK-3) Inhibitors.
J.Med.Chem., 66, 2023
7FUR
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BU of 7fur by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
Descriptor: 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ...
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FUI
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BU of 7fui by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-2-cyano-N-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
Descriptor: (2Z)-2-cyano-N-[(4P)-4-(3-fluorophenyl)-5-(methanesulfonyl)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ...
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
8FVC
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BU of 8fvc by Molmil
E coli. CTP synthase in complex with dF-dCTP (potassium malonate + 5 mM MgCl2)
Descriptor: 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8FVA
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BU of 8fva by Molmil
E coli. CTP synthase in complex with F-araCTP
Descriptor: 4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, CTP synthase, MALONIC ACID, ...
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8FVD
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BU of 8fvd by Molmil
E coli. CTP synthase in complex with dF-dCTP (potassium malonate + 100 mM MgCl2)
Descriptor: 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MAGNESIUM ION, ...
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
6JWY
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BU of 6jwy by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS A437G with SDX-DHP
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide, 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
Deposit date:2019-04-21
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
6JWS
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BU of 6jws by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS A437G with Pteroate
Descriptor: 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
Deposit date:2019-04-21
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
5TET
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BU of 5tet by Molmil
TEV Cleaved Human ATP Citrate Lyase Bound to 4S Hydroxycitrate
Descriptor: 3-C-carboxy-2-deoxy-D-erythro-pentaric acid, ATP-citrate synthase, GLYCEROL, ...
Authors:Hu, J, Fraser, M.E.
Deposit date:2016-09-22
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
5TE1
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BU of 5te1 by Molmil
C20S, C293G Mutant N-terminal Human ATP Citrate Lyase Bound to 4R-Hydroxycitrate
Descriptor: 3-C-carboxy-2-deoxy-L-threo-pentaric acid, ATP-citrate synthase, PHOSPHATE ION, ...
Authors:Hu, J, Fraser, M.E.
Deposit date:2016-09-20
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
7VKV
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BU of 7vkv by Molmil
NMR structure of the zeta-subunit of the F1F0-ATPase from Sinorhizobium meliloti
Descriptor: zeta-subunit
Authors:Yang, L.Y, Mendoza-Hoffmann, F, Buratto, D.
Deposit date:2021-10-01
Release date:2021-10-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inhibitory to non-inhibitory evolution of the zeta subunit of the F 1 F O -ATPase of Paracoccus denitrificans and alpha-proteobacteria as related to mitochondrial endosymbiosis.
Front Mol Biosci, 10, 2023
6KCL
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BU of 6kcl by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS A437G/K540E with pterin and p-hydroxybenzoate
Descriptor: 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
Deposit date:2019-06-28
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
6KCM
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BU of 6kcm by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613S with pterin and p-hydrobenzoate
Descriptor: 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
Deposit date:2019-06-28
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
4C1N
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BU of 4c1n by Molmil
Corrinoid protein reactivation complex with activator
Descriptor: CARBON MONOXIDE DEHYDROGENASE CORRINOID/IRON-SULFUR PROTEIN, GAMMA SUBUNIT, CO DEHYDROGENASE/ACETYL-COA SYNTHASE, ...
Authors:Hennig, S.E, Goetzl, S, Jeoung, J.H, Bommer, M, Lendzian, F, Hildebrandt, P, Dobbek, H.
Deposit date:2013-08-13
Release date:2014-08-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:ATP-Induced Electron Transfer by Redox-Selective Partner Recognition
Nat.Commun., 5, 2014
7FUJ
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BU of 7fuj by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-2-cyano-N-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
Descriptor: (2Z)-2-cyano-N-[(4P)-4-(3-fluorophenyl)-5-(methanesulfonyl)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide, 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FUB
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BU of 7fub by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-4-methylphenyl)-3-(pyridin-4-ylmethyl)benzimidazole-4-carboxylic acid
Descriptor: (5M)-5-(2-chloro-4-methylphenyl)-1-[(pyridin-4-yl)methyl]-1H-benzimidazole-7-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ...
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Galley, G, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
2OBL
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BU of 2obl by Molmil
Structural and biochemical analysis of a prototypical ATPase from the type III secretion system of pathogenic bacteria
Descriptor: ACETATE ION, CALCIUM ION, EscN, ...
Authors:Zarivach, R, Vuckovic, M, Deng, W, Finlay, B.B, Strynadka, N.C.J.
Deposit date:2006-12-19
Release date:2007-01-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of a prototypical ATPase from the type III secretion system.
Nat.Struct.Mol.Biol., 14, 2007
6JWV
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BU of 6jwv by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS A437G with STZ-DHP
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
Deposit date:2019-04-21
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
6JWQ
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BU of 6jwq by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS wild type
Descriptor: 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
Deposit date:2019-04-21
Release date:2020-02-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
6JWW
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BU of 6jww by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613T triple mutant with STZ-DHP
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
Deposit date:2019-04-21
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
2E89
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BU of 2e89 by Molmil
Crystal structure of Aquifex aeolicus TilS in a complex with ATP, Magnesium ion, and L-lysine
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, LYSINE, MAGNESIUM ION, ...
Authors:Kuratani, M, Yoshikawa, Y, Takahashi, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-01-19
Release date:2007-11-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of the initial binding of tRNA(Ile) lysidine synthetase TilS with ATP and L-lysine
To be Published
6JWT
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BU of 6jwt by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613T triple mutant with Pteroate
Descriptor: 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
Deposit date:2019-04-21
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020

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數據於2024-07-24公開中

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