1TUU
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![BU of 1tuu by Molmil](/molmil-images/mine/1tuu) | Acetate Kinase crystallized with ATPgS | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, AMMONIUM ION, ... | Authors: | Gorrell, A, Lawrence, S.H, Ferry, J.G. | Deposit date: | 2004-06-25 | Release date: | 2005-01-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and kinetic analyses of arginine residues in the active site of the acetate kinase from Methanosarcina thermophila. J. Biol. Chem., 280, 2005
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7AUO
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![BU of 7auo by Molmil](/molmil-images/mine/7auo) | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PA-InsP8 | Descriptor: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUT
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7AUN
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![BU of 7aun by Molmil](/molmil-images/mine/7aun) | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PCP-InsP8 | Descriptor: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUL
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![BU of 7aul by Molmil](/molmil-images/mine/7aul) | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-InsP7 in presence of Mg | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ACETATE ION, Diphosphoinositol polyphosphate phosphohydrolase DDP1, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUP
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![BU of 7aup by Molmil](/molmil-images/mine/7aup) | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PCP-InsP7 | Descriptor: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION, [oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUK
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![BU of 7auk by Molmil](/molmil-images/mine/7auk) | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-InsP7 | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Diphosphoinositol polyphosphate phosphohydrolase DDP1 | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUM
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![BU of 7aum by Molmil](/molmil-images/mine/7aum) | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-PCF2Am-InsP5 | Descriptor: | (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Diphosphoinositol polyphosphate phosphohydrolase DDP1 | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUQ
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7AUJ
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![BU of 7auj by Molmil](/molmil-images/mine/7auj) | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 mutation E80Q in complex with 1-InsP7 | Descriptor: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUI
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7AUS
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1UFM
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![BU of 1ufm by Molmil](/molmil-images/mine/1ufm) | Solution structure of the PCI domain | Descriptor: | COP9 complex subunit 4 | Authors: | Suzuki, S, Hatanaka, H, Kigawa, T, Shirouzu, M, Hayashizaki, Y, The RIKEN Genome Exploration Research Group Phase I & II Teams, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-02 | Release date: | 2004-06-29 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the PCI domain To be Published
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3NX8
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![BU of 3nx8 by Molmil](/molmil-images/mine/3nx8) | human cAMP dependent protein kinase in complex with phenol | Descriptor: | PHENOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-07-13 | Release date: | 2011-07-13 | Last modified: | 2012-02-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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6WJG
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![BU of 6wjg by Molmil](/molmil-images/mine/6wjg) | PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma | Descriptor: | DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha fusion, cAMP-dependent protein kinase type II-beta regulatory subunit | Authors: | Lu, T.-W, Aoto, P.C, Weng, J.-H, Nielsen, C, Cash, J.N, Hall, J, Zhang, P, Simon, S.M, Cianfrocco, M.A, Taylor, S.S. | Deposit date: | 2020-04-13 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Structural analyses of the PKA RII beta holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolamellar hepatocellular carcinoma. Plos Biol., 18, 2020
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6WJF
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![BU of 6wjf by Molmil](/molmil-images/mine/6wjf) | PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma | Descriptor: | DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha fusion, cAMP-dependent protein kinase type II-beta regulatory subunit | Authors: | Lu, T.-W, Aoto, P.C, Weng, J.-H, Nielsen, C, Cash, J.N, Hall, J, Zhang, P, Simon, S.M, Cianfrocco, M.A, Taylor, S.S. | Deposit date: | 2020-04-13 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Structural analyses of the PKA RII beta holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolamellar hepatocellular carcinoma. Plos Biol., 18, 2020
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7L29
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3OOG
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3OXT
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5VEO
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![BU of 5veo by Molmil](/molmil-images/mine/5veo) | Murine ectonucleotide pyrophosphatase / phosphodiesterase 5 (ENPP5, NPP5), inactive (T72A), in complex with AMP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | Authors: | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | Deposit date: | 2017-04-05 | Release date: | 2017-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | A key tyrosine substitution restricts nucleotide hydrolysis by the ectoenzyme NPP5. FEBS J., 284, 2017
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3P0M
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![BU of 3p0m by Molmil](/molmil-images/mine/3p0m) | Human cAMP-dependent protein kinase in complex with an inhibitor | Descriptor: | (2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-09-29 | Release date: | 2011-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Fragment based drug design on PKA To be Published
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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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3OVV
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![BU of 3ovv by Molmil](/molmil-images/mine/3ovv) | Human cAMP-dependent protein kinase in complex with an inhibitor | Descriptor: | (2S,3S)-butane-2,3-diol, N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-09-17 | Release date: | 2011-09-21 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | fragment based drug design on PKA To be Published
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5LC9
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5LDB
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![BU of 5ldb by Molmil](/molmil-images/mine/5ldb) | Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N. | Deposit date: | 2016-06-24 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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