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PDB: 4 results
8CNH
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
Descriptor:
1,2-ETHANEDIOL, ACETATE ION, Adenylate cyclase type 10, ...
Authors:
Steegborn, C.
Deposit date:
2023-02-23
Release date:
2023-04-26
Last modified:
2023-05-17
Method:
X-RAY DIFFRACTION (2 Å)
Cite:
Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COJ
Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228
Descriptor:
1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:
Steegborn, C
,
Fushimi, M.
Deposit date:
2023-02-28
Release date:
2023-04-26
Last modified:
2023-05-17
Method:
X-RAY DIFFRACTION (2.1 Å)
Cite:
Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COT
Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962
Descriptor:
1,2-ETHANEDIOL, 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate, ACETATE ION, ...
Authors:
Steegborn, C
,
Fushimi, M.
Deposit date:
2023-02-28
Release date:
2023-04-26
Last modified:
2023-05-17
Method:
X-RAY DIFFRACTION (2.1 Å)
Cite:
Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8CO7
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-09066
Descriptor:
1,2-ETHANEDIOL, 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:
Steegborn, C.
Deposit date:
2023-02-27
Release date:
2024-01-03
Method:
X-RAY DIFFRACTION (1.9 Å)
Cite:
Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
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224931
數據於2024-09-11公開中