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6XJD
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BU of 6xjd by Molmil
Two mouse cGAS catalytic domain binding to human assembled nucleosome
Descriptor: Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1, ...
Authors:Xu, P, Li, P, Zhao, B.
Deposit date:2020-06-23
Release date:2020-09-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:The molecular basis of tight nuclear tethering and inactivation of cGAS.
Nature, 587, 2020
2CHM
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BU of 2chm by Molmil
Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, CGMP-SPECIFIC 3', ...
Authors:Allerton, C.M.N, Barber, C.G, Beaumont, K.C, Brown, D.G, Cole, S.M, Ellis, D, Lane, C.A.L, Maw, G.N, Mount, N.M, Rawson, D.J, Robinson, C.M, Street, S.D.A, Summerhill, N.W.
Deposit date:2006-03-15
Release date:2006-06-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Novel Series of Potent and Selective Pde5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability
J.Med.Chem., 49, 2006
4KFS
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BU of 4kfs by Molmil
Structure of the genome packaging NTPase B204 from Sulfolobus turreted icosahedral virus 2 in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CITRATE ANION, Genome packaging NTPase B204, ...
Authors:Happonen, L.J, Oksanen, E, Kajander, T, Goldman, A, Butcher, S.
Deposit date:2013-04-27
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.946 Å)
Cite:The Structure of the NTPase That Powers DNA Packaging into Sulfolobus Turreted Icosahedral Virus 2.
J.Virol., 87, 2013
2ZIO
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BU of 2zio by Molmil
Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in complex with AlocLys-AMP and PNP
Descriptor: 5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine, IMIDODIPHOSPHORIC ACID, Pyrrolysyl-tRNA synthetase
Authors:Yanagisawa, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-02-19
Release date:2008-12-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Multistep Engineering of Pyrrolysyl-tRNA Synthetase to Genetically Encode N(varepsilon)-(o-Azidobenzyloxycarbonyl) lysine for Site-Specific Protein Modification
Chem.Biol., 15, 2008
6XHE
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BU of 6xhe by Molmil
Structure of beta-prolinyl 5'-O-adenosine phosphoramidate
Descriptor: 5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine, ADENOSINE MONOPHOSPHATE, Ribonuclease pancreatic
Authors:Pallan, P.S, Egli, M.
Deposit date:2020-06-18
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid.
Angew.Chem.Int.Ed.Engl., 59, 2020
4ZJZ
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BU of 4zjz by Molmil
Crystal structure of a benzoate coenzyme A ligase with Benzoyl-AMP
Descriptor: 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine, BENZOIC ACID, Benzoate-coenzyme A ligase, ...
Authors:Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
Deposit date:2015-04-29
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
3CLP
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BU of 3clp by Molmil
M. loti cyclic-nucleotide binding domain mutant 2
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Mll3241 protein
Authors:Clayton, G.M, Altieri, S.L, Thomas, L.R, Morais-Cabral, J.H.
Deposit date:2008-03-19
Release date:2008-08-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Energetic Analysis of Activation by a Cyclic Nucleotide Binding Domain.
J.Mol.Biol., 381, 2008
3LC6
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BU of 3lc6 by Molmil
The alternative conformation structure of isocitrate dehydrogenase kinase/phosphatase from E. Coli
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase kinase/phosphatase, ...
Authors:Zheng, J, Jia, Z.
Deposit date:2010-01-09
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the bifunctional isocitrate dehydrogenase kinase/phosphatase.
Nature, 465, 2010
5ET8
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BU of 5et8 by Molmil
Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
Authors:Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
Deposit date:2015-11-17
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:T-to-R switch of muscle FBPase involves extreme changes of secondary and quaternary structure
To Be Published
6Z3A
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BU of 6z3a by Molmil
Mec1-Ddc2 (wild-type) in complex with AMP-PNP
Descriptor: DNA damage checkpoint protein LCD1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase MEC1, ...
Authors:Yates, L.A, Zhang, X.
Deposit date:2020-05-19
Release date:2020-11-11
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase.
Nat.Struct.Mol.Biol., 28, 2021
6Z2X
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BU of 6z2x by Molmil
Mec1-Ddc2 (F2244L mutant) in complex with Mg AMP-PNP (State II)
Descriptor: DNA damage checkpoint protein LCD1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Yates, L.A, Zhang, X.
Deposit date:2020-05-18
Release date:2020-11-11
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase.
Nat.Struct.Mol.Biol., 28, 2021
6Z2W
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BU of 6z2w by Molmil
Mec1-Ddc2 (F2244L mutant) in complex with Mg AMP-PNP
Descriptor: DNA damage checkpoint protein LCD1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Yates, L.A, Zhang, X.
Deposit date:2020-05-18
Release date:2020-11-11
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase.
Nat.Struct.Mol.Biol., 28, 2021
2YDD
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BU of 2ydd by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, soaked with 2',3'-cyclic AMP
Descriptor: 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, ADENOSINE-2'-MONOPHOSPHATE
Authors:Myllykoski, M, Kursula, P.
Deposit date:2011-03-18
Release date:2012-03-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active- Site Ligand Binding and Molecular Conformation.
Plos One, 7, 2012
3E53
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BU of 3e53 by Molmil
Crystal structure of N-terminal domain of a Fatty Acyl AMP Ligase FAAL28 from Mycobacterium tuberculosis
Descriptor: FATTY-ACID-CoA LIGASE FADD28
Authors:Goyal, A, Rajakumara, E, Yousuf, M, Sankaranarayanan, R.
Deposit date:2008-08-13
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanistic and functional insights into fatty acid activation in Mycobacterium tuberculosis.
Nat.Chem.Biol., 5, 2009
1JP4
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BU of 1jp4 by Molmil
Crystal Structure of an Enzyme Displaying both Inositol-Polyphosphate 1-Phosphatase and 3'-Phosphoadenosine-5'-Phosphate Phosphatase Activities
Descriptor: 3'(2'),5'-bisphosphate nucleotidase, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ...
Authors:Patel, S, Yenush, L, Rodriguez, P.L, Serrano, R, Blundell, T.L.
Deposit date:2001-08-01
Release date:2001-08-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of an enzyme displaying both inositol-polyphosphate-1-phosphatase and 3'-phosphoadenosine-5'-phosphate phosphatase activities: a novel target of lithium therapy.
J.Mol.Biol., 315, 2002
4KB6
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BU of 4kb6 by Molmil
Structure of porcine cyclic GMP AMP synthase (CGAS) in complex with DNA, ATP and GTP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*GP*AP*CP*GP*CP*TP*AP*GP*CP*GP*TP*CP*G)-3'), GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Deimling, T, Hopfner, K.-P.
Deposit date:2013-04-23
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.0754 Å)
Cite:Structural mechanism of cytosolic DNA sensing by cGAS.
Nature, 498, 2013
2WBD
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BU of 2wbd by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR
Descriptor: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
Authors:Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E.
Deposit date:2009-02-26
Release date:2009-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes.
Bioorg.Med.Chem.Lett., 20, 2010
5K56
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BU of 5k56 by Molmil
Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
Authors:Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
Deposit date:2016-05-23
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Structural studies of human muscle FBPase
To Be Published
4RDH
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BU of 4rdh by Molmil
Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, SULFATE ION, ...
Authors:Park, S.Y, Kim, S, Lee, H.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of Escherichia coli TcdA (Also Known As CsdL) Reveals a Novel Topology and Provides Insight into the tRNA Binding Surface Required for N(6)-Threonylcarbamoyladenosine Dehydratase Activity.
J.Mol.Biol., 427, 2015
5K54
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BU of 5k54 by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state
Descriptor: Fructose-1,6-bisphosphatase isozyme 2
Authors:Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
Deposit date:2016-05-23
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.717 Å)
Cite:Structural studies of human muscle FBPase
To Be Published
1GPH
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BU of 1gph by Molmil
STRUCTURE OF THE ALLOSTERIC REGULATORY ENZYME OF PURINE BIOSYNTHESIS
Descriptor: ADENOSINE MONOPHOSPHATE, GLUTAMINE PHOSPHORIBOSYL-PYROPHOSPHATE AMIDOTRANSFERASE, IRON/SULFUR CLUSTER
Authors:Smith, J.L.
Deposit date:1994-04-20
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the allosteric regulatory enzyme of purine biosynthesis.
Science, 264, 1994
5L0A
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BU of 5l0a by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
Authors:Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
Deposit date:2016-07-27
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structural studies of human muscle FBPase
To Be Published
5K55
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BU of 5k55 by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
Authors:Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
Deposit date:2016-05-23
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Structural studies of human muscle FBPase
To Be Published
2ZV8
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BU of 2zv8 by Molmil
Lyn Tyrosine Kinase Domain-AMP-PNP complex
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase Lyn
Authors:Williams, N.K, Rossjohn, J.
Deposit date:2008-11-04
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
1LGR
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BU of 1lgr by Molmil
INTERACTIONS OF NUCLEOTIDES WITH FULLY UNADENYLYLATED GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM
Descriptor: ADENOSINE MONOPHOSPHATE, GLUTAMINE SYNTHETASE, MANGANESE (II) ION
Authors:Liaw, S.-H, Eisenberg, D.
Deposit date:1994-08-05
Release date:1994-11-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Interactions of nucleotides with fully unadenylylated glutamine synthetase from Salmonella typhimurium.
Biochemistry, 33, 1994

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