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8G0T
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BU of 8g0t by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-02-01
Release date:2023-02-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99
To be published
8G0S
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BU of 8g0s by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopentyl ester AMP inhibitor from Cryptococcus neoformans H99 (tetragonal form)
Descriptor: 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, CHLORIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-02-01
Release date:2023-02-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopentyl ester AMP inhibitor from Cryptococcus neoformans H99 (tetragonal form)
To Be Published
5F29
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BU of 5f29 by Molmil
Structure of RCK domain with cda
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, Na+/H+ antiporter-like protein
Authors:Chin, K.H.
Deposit date:2015-12-01
Release date:2017-02-01
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (1.821 Å)
Cite:Structural Insights into the Distinct Binding Mode of Cyclic Di-AMP with SaCpaA_RCK.
Biochemistry, 54, 2015
9AV7
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BU of 9av7 by Molmil
Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (AMP-PNP)
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, non-specific serine/threonine protein kinase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-01
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (AMP-PNP)
To be published
8YLE
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BU of 8yle by Molmil
Crystal structure of Werner syndrome helicase complexed with AMP-PCP
Descriptor: 1,2-ETHANEDIOL, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Yang, Y, Fu, L, Sun, X, Cheng, H, Chen, R.
Deposit date:2024-03-06
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of werner syndrome helicase complexed with AMP-PCP at 1.86 Angstroms resolution.
To Be Published
7VGF
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BU of 7vgf by Molmil
cryo-EM structure of AMP-PNP bound human ABCB7
Descriptor: Iron-sulfur clusters transporter ABCB7, mitochondrial, MAGNESIUM ION, ...
Authors:Yan, Q, Yang, X, Shen, Y.
Deposit date:2021-09-16
Release date:2022-02-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of AMP-PNP-bound human mitochondrial ATP-binding cassette transporter ABCB7.
J.Struct.Biol., 214, 2022
8A2H
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BU of 8a2h by Molmil
human STING in complex with 2',3'-cyclic-GMP-7-deazaphenyl-AMP
Descriptor: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein
Authors:Smola, M, Vavrina, Z, Boura, E, Brynda, J.
Deposit date:2022-06-03
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
5HM3
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BU of 5hm3 by Molmil
2.25 Angstrom Resolution Crystal Structure of Long-chain-fatty-acid-AMP Ligase FadD32 from Mycobacterium tuberculosis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine
Descriptor: 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Minasov, G, Warwrzak, Z, Kuhn, M.L, Shuvalova, L, Flores, K.J, Wilson, D.J, Grimes, K.D, Aldrich, C.C, Anderson, W.A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-15
Release date:2016-08-03
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of the Essential Mtb FadD32 Enzyme: A Promising Drug Target for Treating Tuberculosis.
Acs Infect Dis., 2, 2016
4UN0
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BU of 4un0 by Molmil
Crystal structure of the human CDK12-cyclinK complex
Descriptor: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K
Authors:Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Chaikuad, A, Goubin, S, Krojer, T, Sorrell, F.J, Nowak, R, Williams, E, Kopec, J, Mahajan, R.P, Burgess-Brown, N, Carpenter, E.P, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-05-22
Release date:2014-06-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
8AD6
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BU of 8ad6 by Molmil
Structure of DarB bound to c-di-AMP
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, CBS domain-containing protein
Authors:Garcia-Pino, A, Talavera, A.
Deposit date:2022-07-07
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure of DarB bound to c-di-AMP
To Be Published
5IKP
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BU of 5ikp by Molmil
Crystal structure of human brain glycogen phosphorylase bound to AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Glycogen phosphorylase, brain form, ...
Authors:Mathieu, C, Li de la Sierra-Gallay, I, Xu, X, Haouz, A, Rodrigues-Lima, F.
Deposit date:2016-03-03
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Insights into Brain Glycogen Metabolism: THE STRUCTURE OF HUMAN BRAIN GLYCOGEN PHOSPHORYLASE.
J.Biol.Chem., 291, 2016
6CVP
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BU of 6cvp by Molmil
Human Aprataxin (Aptx) R199H bound to RNA-DNA, AMP and Zn product complex
Descriptor: ADENOSINE MONOPHOSPHATE, Aprataxin, DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ...
Authors:Schellenberg, M.J, Williams, R.S, Tumbale, P.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6CVS
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BU of 6cvs by Molmil
Human Aprataxin (Aptx) L248M bound to DNA, AMP and Zn product
Descriptor: ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ...
Authors:Schellenberg, M.J, Tumbale, P.S, Williams, R.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6CVT
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BU of 6cvt by Molmil
Human Aprataxin (Aptx) V263G bound to RNA-DNA, AMP and Zn product complex
Descriptor: ADENOSINE MONOPHOSPHATE, Aprataxin, DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ...
Authors:Schellenberg, M.J, Tumbale, P.S, Williams, R.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.941 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6CVR
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BU of 6cvr by Molmil
Human Aprataxin (Aptx) S242N bound to RNA-DNA, AMP and Zn product complex
Descriptor: ADENOSINE MONOPHOSPHATE, Aprataxin, DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ...
Authors:Schellenberg, M.J, Tumbale, P.S, Williams, R.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6CVQ
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BU of 6cvq by Molmil
Human Aprataxin (Aptx) H201Q bound to RNA-DNA, AMP and Zn product complex
Descriptor: ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ...
Authors:Schellenberg, M.J, Tumbale, P.S, Williams, R.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6GYW
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BU of 6gyw by Molmil
Crystal structure of DacA from Staphylococcus aureus
Descriptor: Diadenylate cyclase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6GYY
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BU of 6gyy by Molmil
Crystal structure of DacA from Staphylococcus aureus, N166C/T172C double mutant
Descriptor: Diadenylate cyclase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6CVO
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BU of 6cvo by Molmil
Human Aprataxin (Aptx) bound to nicked RNA-DNA, AMP and Zn product complex
Descriptor: ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ...
Authors:Schellenberg, M.J, Tumbale, P.P, Williams, R.S.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
3NGT
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BU of 3ngt by Molmil
Structure of Leishmania NDKb complexed with AMP.
Descriptor: ADENOSINE MONOPHOSPHATE, Nucleoside diphosphate kinase
Authors:Trindade, D.M, Sousa, T.A.C.B, Tonoli, C.C.C, Santos, C.R, Arni, R.K, Ward, R.J, Oliveira, A.H.C, Murakami, M.T.
Deposit date:2010-06-13
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding.
Mol Biosyst, 7, 2011
1FPJ
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BU of 1fpj by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH AMP, 2,5-ANHYDRO-D-GLUCITOL-1,6-BISPHOSPHATE, THALLIUM (10 MM) AND LITHIUM IONS (10 MM)
Descriptor: 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ...
Authors:Villeret, V, Lipscomb, W.N.
Deposit date:1995-06-02
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase.
Proc.Natl.Acad.Sci.USA, 92, 1995
1FPL
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BU of 1fpl by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH AMP, 2,5-ANHYDRO-D-GLUCITOL-1,6-BISPHOSPHATE AND THALLIUM IONS (10 MM)
Descriptor: 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ...
Authors:Villeret, V, Lipscomb, W.N.
Deposit date:1995-06-02
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase.
Proc.Natl.Acad.Sci.USA, 92, 1995
8U2R
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BU of 8u2r by Molmil
Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP bound)
Descriptor: 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, DI(HYDROXYETHYL)ETHER
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP bound)
To be published
8U2S
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BU of 8u2s by Molmil
Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP bound, P21 form)
Descriptor: 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, CACODYLATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP bound, P21 form)
To be published
5WM2
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BU of 5wm2 by Molmil
Crystal Structure of CahJ in Complex with Salicylic Acid and AMP
Descriptor: 2-HYDROXYBENZOIC ACID, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Sikkema, A.P, Smith, J.L.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018

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