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4WZI
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BU of 4wzi by Molmil
Crystal structure of crosslink stabilized long-form PDE4B
Descriptor: IODIDE ION, MAGNESIUM ION, SODIUM ION, ...
Authors:Cedervall, P, Pandit, J.
Deposit date:2014-11-19
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Engineered stabilization and structural analysis of the autoinhibited conformation of PDE4.
Proc.Natl.Acad.Sci.USA, 112, 2015
4X0F
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BU of 4x0f by Molmil
Crystal structure of crosslink stabilized long-form PDE4B in complex with (R)-(-)-rolipram
Descriptor: IODIDE ION, MAGNESIUM ION, ROLIPRAM, ...
Authors:Cedervall, P, Pandit, J.
Deposit date:2014-11-21
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Engineered stabilization and structural analysis of the autoinhibited conformation of PDE4.
Proc.Natl.Acad.Sci.USA, 112, 2015
7V13
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BU of 7v13 by Molmil
Factor XIa in Complex with Compound 2g
Descriptor: 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
Authors:Shaffer, P.L, Milligan, C.M, Cedervall, P.
Deposit date:2022-05-11
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V17
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BU of 7v17 by Molmil
Factor XIa in Complex with Compound 2k
Descriptor: 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain
Authors:Shaffer, P.L, Milligan, C.M, Cedervall, P.
Deposit date:2022-05-11
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.522 Å)
Cite:Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V14
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BU of 7v14 by Molmil
Factor XIa in Complex with Compound 2h
Descriptor: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain
Authors:Shaffer, P.L, Cedervall, P, Milligan, C.M.
Deposit date:2022-05-11
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V15
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BU of 7v15 by Molmil
Factor XIa in Complex with Compound 2i
Descriptor: 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain
Authors:Shaffer, P.L, Cedervall, P, Milligan, C.M.
Deposit date:2022-05-11
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022

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