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PDB: 14 件

3POT
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BU of 3pot by Molmil
Structural analysis of a Ni(III)-methyl species in methyl-coenzyme M reductase from Methanothermobacter marburgensis
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, Coenzyme B, ...
著者Cedervall, P.E, Wilmot, C.M.
登録日2010-11-23
公開日2011-04-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Analysis of a Ni-Methyl Species in Methyl-Coenzyme M Reductase from Methanothermobacter marburgensis.
J.Am.Chem.Soc., 133, 2011
4FAS
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BU of 4fas by Molmil
Complex crystal structure of hydroxylamine oxidoreductase and NE1300 from Nitrosomonas europaea
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, HEME C, ...
著者Cedervall, P.E, Wilmot, C.M.
登録日2012-05-22
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies of hydroxylamine oxidoreductase reveal a unique heme cofactor and a previously unidentified interaction partner.
Biochemistry, 52, 2013
4WZI
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BU of 4wzi by Molmil
Crystal structure of crosslink stabilized long-form PDE4B
分子名称: IODIDE ION, MAGNESIUM ION, SODIUM ION, ...
著者Cedervall, P, Pandit, J.
登録日2014-11-19
公開日2015-03-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献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
分子名称: IODIDE ION, MAGNESIUM ION, ROLIPRAM, ...
著者Cedervall, P, Pandit, J.
登録日2014-11-21
公開日2015-03-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Engineered stabilization and structural analysis of the autoinhibited conformation of PDE4.
Proc.Natl.Acad.Sci.USA, 112, 2015
3M2V
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BU of 3m2v by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-08
公開日2010-09-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
3M32
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BU of 3m32 by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-08
公開日2010-09-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
3M30
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BU of 3m30 by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-08
公開日2010-09-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
3M2R
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BU of 3m2r by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, Coenzyme B, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-08
公開日2010-09-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
3M1V
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BU of 3m1v by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-05
公開日2010-09-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
3M2U
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BU of 3m2u by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-08
公開日2010-09-15
最終更新日2017-03-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
7V14
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BU of 7v14 by Molmil
Factor XIa in Complex with Compound 2h
分子名称: 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
著者Shaffer, P.L, Cedervall, P, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
7V13
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BU of 7v13 by Molmil
Factor XIa in Complex with Compound 2g
分子名称: 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
著者Shaffer, P.L, Milligan, C.M, Cedervall, P.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献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
分子名称: 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
著者Shaffer, P.L, Milligan, C.M, Cedervall, P.
登録日2022-05-11
公開日2022-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.522 Å)
主引用文献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
分子名称: 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
著者Shaffer, P.L, Cedervall, P, Milligan, C.M.
登録日2022-05-11
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献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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件を2024-10-30に公開中

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