6RFU
 
 | | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase | | Authors: | Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C. | | Deposit date: | 2019-04-16 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.
Nat Commun, 11, 2020
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6RPU
 | | Structure of the ternary complex of the IMPDH enzyme from Ashbya gossypii bound to the dinucleoside polyphosphate Ap5G and GDP | | Descriptor: | ACETATE ION, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | | Authors: | Buey, R.M, Fernandez-Justel, D, Revuelta, J.L. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The Bateman domain of IMP dehydrogenase is a binding target for dinucleoside polyphosphates.
J.Biol.Chem., 294, 2019
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6ZS7
 | | Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with L-cysteine | | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase | | Authors: | Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A. | | Deposit date: | 2020-07-15 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural insight into the unique conformation of cystathionine beta-synthase from Toxoplasma gondii .
Comput Struct Biotechnol J, 19, 2021
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4FXS
 | | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae complexed with IMP and mycophenolic acid | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, MYCOPHENOLIC ACID, ... | | Authors: | Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-07-03 | | Release date: | 2012-07-25 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae complexed with IMP and mycophenolic acid.
To be Published
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7AHD
 | | OpuA (E190Q) occluded | | Descriptor: | ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA.
Sci Adv, 6, 2020
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7AHC
 | | OpuA apo inward-facing | | Descriptor: | ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component | | Authors: | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA.
Sci Adv, 6, 2020
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7AHH
 | | OpuA inhibited inward-facing, SBD docked | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component, ... | | Authors: | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA.
Sci Adv, 6, 2020
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7AHE
 | | OpuA inhibited inward facing | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component | | Authors: | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA.
Sci Adv, 6, 2020
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6U8N
 | | Human IMPDH2 treated with ATP, IMP, and NAD+. Fully extended filament segment reconstruction. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | | Authors: | Johnson, M.C, Kollman, J.M. | | Deposit date: | 2019-09-05 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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6WUR
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6UDQ
 | | Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament end reconstruction. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | | Authors: | Johnson, M.C, Kollman, J.M. | | Deposit date: | 2019-09-19 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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6U8E
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6UDO
 | | Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament segment reconstruction. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | | Authors: | Johnson, M.C, Kollman, J.M. | | Deposit date: | 2019-09-19 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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4FEZ
 | | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant.
To be Published
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6UDP
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6UA4
 | | Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Bent (3/4 compressed, 1/4 extended) segment reconstruction. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | | Authors: | Johnson, M.C, Kollman, J.M. | | Deposit date: | 2019-09-10 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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6U8R
 | | Human IMPDH2 treated with ATP, IMP, and NAD+. Bent (1/4 compressed, 3/4 extended) segment reconstruction. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | | Authors: | Johnson, M.C, Kollman, J.M. | | Deposit date: | 2019-09-05 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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3TSD
 | | Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str. Ames complexed with XMP | | Descriptor: | D(-)-TARTARIC ACID, Inosine-5'-monophosphate dehydrogenase, SULFATE ION, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-09-13 | | Release date: | 2011-10-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.653 Å) | | Cite: | Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes.
Biochemistry, 51, 2012
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3TSB
 | | Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str. Ames | | Descriptor: | Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION | | Authors: | Kim, Y, Makowska-Grzyska, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-09-12 | | Release date: | 2011-10-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes.
Biochemistry, 51, 2012
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4QFG
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4QFR
 | | Structure of AMPK in complex with Cl-A769662 activator and STAUROSPORINE inhibitor | | Descriptor: | 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Calabrese, M.F, Kurumbail, R.G. | | Deposit date: | 2014-05-21 | | Release date: | 2014-08-06 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
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4PCU
 | | Crystal structure of delta516-525 E201S human cystathionine beta-synthase with AdoMet | | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Ereno-Orbea, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez-Cruz, L.A. | | Deposit date: | 2014-04-16 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.578 Å) | | Cite: | Structural insight into the molecular mechanism of allosteric activation of human cystathionine beta-synthase by S-adenosylmethionine.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4QFS
 | | Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor | | Descriptor: | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Calabrese, M.F, Kurumbail, R.G. | | Deposit date: | 2014-05-21 | | Release date: | 2014-08-06 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
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4RER
 | | Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, ... | | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | | Deposit date: | 2014-09-23 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (4.047 Å) | | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
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4REW
 | | Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | | Deposit date: | 2014-09-24 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (4.58 Å) | | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
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