3F88
 
 | | glycogen synthase Kinase 3beta inhibitor complex | | Descriptor: | 3-methylbenzonitrile, 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione, Glycogen synthase kinase-3 beta | | Authors: | Mol, C.D, Dougan, D.R. | | Deposit date: | 2008-11-11 | | Release date: | 2009-03-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17, 2009
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6N6Z
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7UZF
 | | Rat Kidney V-ATPase with SidK, State 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase H+-transporting V1 subunit A, ATPase H+-transporting V1 subunit D, ... | | Authors: | Rubinstein, J.L, Abbas, Y.M. | | Deposit date: | 2022-05-09 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of V-ATPase with NCOA7B
To Be Published
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7UZI
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7UZH
 | | Rat Kidney V-ATPase with SidK, State 2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase H+-transporting V1 subunit A, ATPase H+-transporting V1 subunit D, ... | | Authors: | Rubinstein, J.L, Abbas, Y.M. | | Deposit date: | 2022-05-09 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of V-ATPase with NCOA7B
To Be Published
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7UZG
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6N71
 | | Crystal Structure of ATPase delta1-79 Spa47 R191E | | Descriptor: | Probable ATP synthase SpaL/MxiB | | Authors: | Morales, Y, Olsen, K.J, Johnson, S.J, Demler, H.J, Dickenson, N.E. | | Deposit date: | 2018-11-27 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activation.
Proteins, 87, 2019
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6POE
 | | Structure of ACLY in complex with CoA | | Descriptor: | ATP-citrate synthase, COENZYME A | | Authors: | Wei, X, Marmorstein, R. | | Deposit date: | 2019-07-03 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Molecular basis for acetyl-CoA production by ATP-citrate lyase.
Nat.Struct.Mol.Biol., 27, 2020
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6UUZ
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7FTU
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-N-[4-(4-chlorophenyl)sulfonylphenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | | Descriptor: | (2Z)-N-[4-(4-chlorobenzene-1-sulfonyl)phenyl]-2-cyano-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 (1.65 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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7DPT
 | | Structural basis for ligand binding modes of CTP synthase | | Descriptor: | 6-DIAZENYL-5-OXO-L-NORLEUCINE, ADENOSINE-5'-DIPHOSPHATE, CTP synthase, ... | | Authors: | Liu, J.L, Zhou, X, Guo, C.J, Chang, C.C. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-15 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.48 Å) | | Cite: | Structural basis for ligand binding modes of CTP synthase.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7FTR
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | | Descriptor: | (2Z)-N-(4-acetylphenyl)-2-cyano-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, Canesso, R, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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7DPW
 | | Structural basis for ligand binding modes of CTP synthase | | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Liu, J.L, Zhou, X, Guo, C.J, Chang, C.C. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-15 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Structural basis for ligand binding modes of CTP synthase.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7FHA
 | | Crystal structure of the ATP sulfurylase domain of human PAPSS2 in complex with APS | | Descriptor: | ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2, POTASSIUM ION, ... | | Authors: | Zhang, P, Zhang, L, Zhang, L. | | Deposit date: | 2021-07-29 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the substrate recognition mechanism of ATP-sulfurylase domain of human PAPS synthase 2.
Biochem.Biophys.Res.Commun., 586, 2022
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7FH3
 | | Crystal structure of the ATP sulfurylase domain of human PAPSS2 | | Descriptor: | Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2, SULFATE ION, beta-D-glucopyranose | | Authors: | Zhang, P, Zhang, L, Zhang, L. | | Deposit date: | 2021-07-29 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the substrate recognition mechanism of ATP-sulfurylase domain of human PAPS synthase 2.
Biochem.Biophys.Res.Commun., 586, 2022
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1QDL
 | | THE CRYSTAL STRUCTURE OF ANTHRANILATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS | | Descriptor: | PROTEIN (ANTHRANILATE SYNTHASE (TRPE-SUBUNIT)), PROTEIN (ANTHRANILATE SYNTHASE (TRPG-SUBUNIT)) | | Authors: | Knoechel, T, Ivens, A, Hester, G, Gonzalez, A, Bauerle, R, Wilmanns, M, Kirschner, K, Jansonius, J.N. | | Deposit date: | 1999-05-20 | | Release date: | 1999-08-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of anthranilate synthase from Sulfolobus solfataricus: functional implications.
Proc.Natl.Acad.Sci.USA, 96, 1999
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7FUI
 | | 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
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7WIZ
 | | Structural basis for ligand binding modes of CTP synthase | | Descriptor: | CTP synthase, GLUTAMINE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Liu, J.L, Guo, C.J. | | Deposit date: | 2022-01-05 | | Release date: | 2023-01-11 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for ligand binding modes of CTP synthase.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7TMM
 | | Complete V1 Complex from Saccharomyces cerevisiae | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, H(+)-transporting two-sector ATPase, V-ATPase subunit E, ... | | Authors: | Vasanthakumar, T, Keon, K.A, Bueler, S.A, Jaskolka, M.C, Rubinstein, J.L. | | Deposit date: | 2022-01-19 | | Release date: | 2022-04-06 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Coordinated conformational changes in the V 1 complex during V-ATPase reversible dissociation.
Nat.Struct.Mol.Biol., 29, 2022
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1O9U
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8DJE
 | | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE | | Descriptor: | (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-06-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
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8DJC
 | | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide | | Descriptor: | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-06-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
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6QCL
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6V6L
 | | Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one | | Descriptor: | 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION | | Authors: | Bussiere, D.E, Fang, E, Shu, W. | | Deposit date: | 2019-12-05 | | Release date: | 2020-01-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Discovery and optimization of novel pyridines as highly potent and selective glycogen synthase kinase 3 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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7TMQ
 | | V1 complex lacking subunit C from Saccharomyces cerevisiae, State 3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, H(+)-transporting two-sector ATPase, MAGNESIUM ION, ... | | Authors: | Vasanthakumar, T, Keon, K.A, Bueler, S.A, Jaskolka, M.C, Rubinstein, J.L. | | Deposit date: | 2022-01-19 | | Release date: | 2022-04-06 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Coordinated conformational changes in the V 1 complex during V-ATPase reversible dissociation.
Nat.Struct.Mol.Biol., 29, 2022
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