6X5A
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![BU of 6x5a by Molmil](/molmil-images/mine/6x5a) | The mouse cGAS catalytic domain binding to human nucleosome that purified from HEK293T cells | Descriptor: | Cyclic GMP-AMP synthase, DNA (natural), Histone H2A type 1, ... | Authors: | Pengbiao, X, Pingwei, L, Baoyu, Z. | Deposit date: | 2020-05-25 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.36 Å) | Cite: | The molecular basis of tight nuclear tethering and inactivation of cGAS. Nature, 587, 2020
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7UEU
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6X59
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![BU of 6x59 by Molmil](/molmil-images/mine/6x59) | The mouse cGAS catalytic domain binding to human assembled nucleosome | Descriptor: | Cyclic GMP-AMP synthase, DNA, Histone H2A type 1, ... | Authors: | Pengbiao, X, Pingwei, L, Baoyu, Z. | Deposit date: | 2020-05-25 | Release date: | 2020-09-16 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | The molecular basis of tight nuclear tethering and inactivation of cGAS. Nature, 587, 2020
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1XH7
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![BU of 1xh7 by Molmil](/molmil-images/mine/1xh7) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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6WWO
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![BU of 6wwo by Molmil](/molmil-images/mine/6wwo) | KIF14[391-748] - AMP-PNP in complex with a microtubule | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ... | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | Deposit date: | 2020-05-09 | Release date: | 2021-05-05 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14. Nat Commun, 12, 2021
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1XH4
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![BU of 1xh4 by Molmil](/molmil-images/mine/1xh4) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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7VYP
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![BU of 7vyp by Molmil](/molmil-images/mine/7vyp) | The structure of GdmN complex with the natural tetrahedral intermediate, carbamoylated derivative, and AMP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, FE (III) ION, ... | Authors: | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | Deposit date: | 2021-11-15 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022
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1XH5
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![BU of 1xh5 by Molmil](/molmil-images/mine/1xh5) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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1XH9
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![BU of 1xh9 by Molmil](/molmil-images/mine/1xh9) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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4NTS
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4XW6
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![BU of 4xw6 by Molmil](/molmil-images/mine/4xw6) | X-ray structure of PKAc with ADP, free phosphate ion, CP20, magnesium ions | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | Deposit date: | 2015-01-28 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT. J.Biol.Chem., 290, 2015
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4XW5
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![BU of 4xw5 by Molmil](/molmil-images/mine/4xw5) | X-ray structure of PKAc with ATP, CP20, calcium ions | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | Deposit date: | 2015-01-28 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT. J.Biol.Chem., 290, 2015
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2JDS
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![BU of 2jds by Molmil](/molmil-images/mine/2jds) | Structure of cAMP-dependent protein kinase complexed with A-443654 | Descriptor: | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | Authors: | Davies, T.G, Verdonk, M.L, Graham, B, Saalau-Bethell, S, Hamlett, C.C.F, McHardy, T, Collins, I, Garrett, M.D, Workman, P, Woodhead, S.J, Jhoti, H, Barford, D. | Deposit date: | 2007-01-12 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera J.Mol.Biol., 367, 2007
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4NTT
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3FIT
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![BU of 3fit by Molmil](/molmil-images/mine/3fit) | FHIT (FRAGILE HISTIDINE TRIAD PROTEIN) IN COMPLEX WITH ADENOSINE/SULFATE AMP ANALOG | Descriptor: | ADENOSINE MONOPHOSPHATE, FRAGILE HISTIDINE PROTEIN, SULFATE ION, ... | Authors: | Lima, C.D, D'Amico, K.L, Naday, I, Rosenbaum, G, Westbrook, E.M, Hendrickson, W.A. | Deposit date: | 1997-05-17 | Release date: | 1997-11-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | MAD analysis of FHIT, a putative human tumor suppressor from the HIT protein family. Structure, 5, 1997
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4BRF
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![BU of 4brf by Molmil](/molmil-images/mine/4brf) | Legionella pneumophila NTPDase1 crystal form II (closed) in complex with a distorted orthomolybdate ion and AMP | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-04 | Release date: | 2013-07-17 | Last modified: | 2014-05-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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6YDZ
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![BU of 6ydz by Molmil](/molmil-images/mine/6ydz) | Human wtSTING in complex with 3',3'-cGAMP | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon protein | Authors: | Boura, E, Smola, M. | Deposit date: | 2020-03-23 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein. Angew.Chem.Int.Ed.Engl., 60, 2021
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2C5S
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![BU of 2c5s by Molmil](/molmil-images/mine/2c5s) | Crystal structure of Bacillus anthracis ThiI, a tRNA-modifying enzyme containing the predicted RNA-binding THUMP domain | Descriptor: | ADENOSINE MONOPHOSPHATE, PROBABLE THIAMINE BIOSYNTHESIS PROTEIN THII | Authors: | Waterman, D.G, Ortiz-Lombardia, M, Fogg, M.J, Koonin, E.V, Antson, A.A. | Deposit date: | 2005-11-01 | Release date: | 2005-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Bacillus anthracis ThiI, a tRNA-modifying enzyme containing the predicted RNA-binding THUMP domain. J.Mol.Biol., 356, 2006
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4FYI
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![BU of 4fyi by Molmil](/molmil-images/mine/4fyi) | Crystal structure of rcl with 6-cyclopentyl-AMP | Descriptor: | Deoxyribonucleoside 5'-monophosphate N-glycosidase, N-cyclopentyladenosine 5'-(dihydrogen phosphate) | Authors: | Labesse, G, Padilla, A, Kaminski, P.A. | Deposit date: | 2012-07-04 | Release date: | 2013-01-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of the oncoprotein Rcl bound to three nucleotide analogues. Acta Crystallogr.,Sect.D, 69, 2013
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4FBB
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![BU of 4fbb by Molmil](/molmil-images/mine/4fbb) | Structure of mutant RIP from barley seeds in complex with adenine (AMP-incubated) | Descriptor: | ADENINE, Protein synthesis inhibitor I | Authors: | Lee, B.-G, Kim, M.K, Suh, S.W, Song, H.K. | Deposit date: | 2012-05-22 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the ribosome-inactivating protein from barley seeds reveal a unique activation mechanism. Acta Crystallogr.,Sect.D, 68, 2012
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5IZJ
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![BU of 5izj by Molmil](/molmil-images/mine/5izj) | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411 | Descriptor: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAR-DAR, 47P-AZ1-DAR-DAR-DAR, ... | Authors: | Pflug, A, Enkvist, E, Uri, A, Engh, R.A. | Deposit date: | 2016-03-25 | Release date: | 2016-07-20 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. Bioconjug.Chem., 27, 2016
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5CFS
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![BU of 5cfs by Molmil](/molmil-images/mine/5cfs) | Crystal Structure of ANT(2")-Ia in complex with AMPCPP and tobramycin | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, AAD(2''),Gentamicin 2''-nucleotidyltransferase,Gentamicin resistance protein, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2015-07-08 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design. Acs Chem.Biol., 11, 2016
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5CKW
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![BU of 5ckw by Molmil](/molmil-images/mine/5ckw) | Crystal structure of LegK4_AMPPNP Kinase | Descriptor: | CALCIUM ION, LegK4, MAGNESIUM ION, ... | Authors: | Flayhan, A, Terradot, L. | Deposit date: | 2015-07-15 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase. Sci Rep, 5, 2015
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3OWP
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![BU of 3owp by Molmil](/molmil-images/mine/3owp) | Human cAMP-dependent protein kinase in complex with an inhibitor | Descriptor: | (2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-09-20 | Release date: | 2011-09-21 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | fragment based drug design on PKA To be Published
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5CFT
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![BU of 5cft by Molmil](/molmil-images/mine/5cft) | Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1 | Descriptor: | Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ... | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2015-07-08 | Release date: | 2016-03-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design. Acs Chem.Biol., 11, 2016
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