6AQ6
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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
| 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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4XW4
| X-ray structure of PKAc with AMPPNP, SP20, calcium ions | Descriptor: | CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, 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: | 2015-07-01 | Method: | X-RAY DIFFRACTION (1.82 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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6AQ5
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4IB0
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4IAD
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4IAZ
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6O66
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6O5S
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6O4W
| Binary complex of native hAChE with Donepezil | Descriptor: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ... | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | Deposit date: | 2019-03-01 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies. Chem.Biol.Interact., 309, 2019
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6O52
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6O50
| Binary complex of native hAChE with BW284c51 | Descriptor: | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ... | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | Deposit date: | 2019-03-01 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies. Chem.Biol.Interact., 309, 2019
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6O5V
| Binary complex of native hAChE with oxime reactivator RS-170B | Descriptor: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ... | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | Deposit date: | 2019-03-04 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. J.Biol.Chem., 294, 2019
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6O5R
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6O4X
| Binary complex of native hAChE with 9-aminoacridine | Descriptor: | 9-AMINOACRIDINE, Acetylcholinesterase, GLYCEROL, ... | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | Deposit date: | 2019-03-01 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies. Chem.Biol.Interact., 309, 2019
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4IAK
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4IAY
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4IAF
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4IAC
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4IAI
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4IB3
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4IB1
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4QXK
| Joint X-ray/neutron structure of PKGIbeta in complex with cGMP | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-dependent protein kinase 1 | Authors: | Kim, C, Gerlits, O, Kovalevsky, A, Huang, G.Y. | Deposit date: | 2014-07-21 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | Cite: | Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design. Biochemistry, 53, 2014
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4QX5
| Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1 | Authors: | Huang, G.Y, Gerlits, O.O, Blakeley, M.P, Sankaran, B, Kovalevsky, A.Y, Kim, C. | Deposit date: | 2014-07-18 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.318 Å) | Cite: | Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design. Biochemistry, 53, 2014
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