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6PLM
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BU of 6plm by Molmil
Legionella pneumophila SidJ/ Calmodulin 2 complex
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-2, ...
Authors:Mao, Y, Sulpizio, A, Minelli, M.E, Wu, X.
Deposit date:2019-07-01
Release date:2019-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Protein polyglutamylation catalyzed by the bacterial calmodulin-dependent pseudokinase SidJ.
Elife, 8, 2019
8G2Q
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BU of 8g2q by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound GTP
Descriptor: Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-02-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of Ternary Complex of mouse cGAS with dsDNA and Bound GTP
To Be Published
8G2P
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BU of 8g2p by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and GTP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-02-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.521 Å)
Cite:Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and GTP
To Be Published
4C5N
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BU of 4c5n by Molmil
Structure of the pyridoxal kinase from Staphylococcus aureus in complex with AMP-PCP and pyridoxal
Descriptor: 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Nodwell, M, Alte, F, Sieber, S.A, Schneider, S.
Deposit date:2013-09-12
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
J.Am.Chem.Soc., 136, 2014
4FWO
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BU of 4fwo by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with GMP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
4FWR
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BU of 4fwr by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with CMP
Descriptor: 1,2-ETHANEDIOL, CYTIDINE-5'-MONOPHOSPHATE, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
4FWM
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BU of 4fwm by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
8X5L
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BU of 8x5l by Molmil
The Crystal Structure of PRKACA from Biortus.
Descriptor: (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W.
Deposit date:2023-11-17
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Crystal Structure of PRKACA from Biortus.
To Be Published
4FWP
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BU of 4fwp by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with GDP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
4FWL
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BU of 4fwl by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with Phosphate (PO4)
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
4FWN
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BU of 4fwn by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with Adenosine Tetraphosphate (AP4)
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TETRAPHOSPHATE, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
4FWS
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BU of 4fws by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with CTP
Descriptor: 1,2-ETHANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
3IUY
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BU of 3iuy by Molmil
Crystal structure of DDX53 DEAD-box domain
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Probable ATP-dependent RNA helicase DDX53
Authors:Schutz, P, Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.M, Structural Genomics Consortium (SGC)
Deposit date:2009-08-31
Release date:2009-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
3N8H
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BU of 3n8h by Molmil
Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis
Descriptor: ACETIC ACID, ADENOSINE MONOPHOSPHATE, GLYCEROL, ...
Authors:Maltseva, N, Kim, Y, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-05-28
Release date:2010-06-16
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis
To be Published, 2010
4A0V
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BU of 4a0v by Molmil
model refined against the Symmetry-free cryo-EM map of TRiC-AMP-PNP
Descriptor: T-COMPLEX PROTEIN 1 SUBUNIT BETA
Authors:Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W.
Deposit date:2011-09-13
Release date:2012-02-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (10.7 Å)
Cite:Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
3O0M
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BU of 3o0m by Molmil
Crystal structure of a ZN-bound histidine triad family protein from Mycobacterium smegmatis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-07-19
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4FWQ
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BU of 4fwq by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with GTP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
3L9M
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BU of 3l9m by Molmil
Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18
Descriptor: (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3P4E
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BU of 3p4e by Molmil
Phosphoribosylformylglycinamidine cyclo-ligase from Vibrio cholerae
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CITRIC ACID, ...
Authors:Osipiuk, J, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-10-06
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Phosphoribosylformylglycinamidine cyclo-ligase from Vibrio cholerae.
To be Published
3L9N
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BU of 3l9n by Molmil
crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27
Descriptor: (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3L9L
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BU of 3l9l by Molmil
Crystal structure of pka with compound 36
Descriptor: 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
7WJV
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BU of 7wjv by Molmil
Crystal structure of human liver FBPase complexed with an covalent inhibitor
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Cao, H, Huang, Y, Ren, Y, Wan, J.
Deposit date:2022-01-08
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.
J.Med.Chem., 65, 2022
3RPH
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BU of 3rph by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+.
Descriptor: ADENOSINE MONOPHOSPHATE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, MAGNESIUM ION, ...
Authors:Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-04-26
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
6BYR
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BU of 6byr by Molmil
Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha chimera, MAGNESIUM ION, ...
Authors:Cao, B, Lu, T.W, Martinez Fiesco, J.A, Tomasini, M, Fan, L, Simon, S.M, Taylor, S.S, Zhang, P.
Deposit date:2017-12-21
Release date:2019-04-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.661 Å)
Cite:Structures of the PKA RI alpha Holoenzyme with the FLHCC Driver J-PKAc alpha or Wild-Type PKAc alpha.
Structure, 27, 2019
1NDV
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BU of 1ndv by Molmil
Crystal Structure of Adenosine Deaminase complexed with FR117016
Descriptor: Adenosine deaminase, N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE, ZINC ION
Authors:Kinoshita, T.
Deposit date:2002-12-09
Release date:2003-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004

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