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3NW2
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BU of 3nw2 by Molmil
Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights
分子名称: 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Graedler, U, Fuchss, T, Ulrich, W.R, Boer, R, Strub, A, Hesslinger, C, Anezo, C, Diederichs, K, Zaliani, A.
登録日2010-07-09
公開日2011-06-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights
Bioorg.Med.Chem.Lett., 21, 2011
7B12
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BU of 7b12 by Molmil
HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid
分子名称: ((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
著者Musil, D, Klein, M, Crosignani, S.
登録日2020-11-23
公開日2021-12-01
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure-Based Optimization and Discovery of M3258, a Specific Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i).
J.Med.Chem., 64, 2021
8CK3
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BU of 8ck3 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
分子名称: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ...
著者Musil, D, Lehmannn, M, Diehl, L.
登録日2023-02-14
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8CK8
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BU of 8ck8 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-Cyclohexyloxy-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
分子名称: (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Musil, D.
登録日2023-02-14
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8CK4
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BU of 8ck4 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol
分子名称: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Musil, D.
登録日2023-02-14
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
7NI4
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Human ATM kinase domain with bound M4076 inhibitor
分子名称: 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one, Serine-protein kinase ATM, ZINC ION
著者Stakyte, K, Rotheneder, M.
登録日2021-02-11
公開日2021-09-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular basis of human ATM kinase inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7NI5
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BU of 7ni5 by Molmil
Human ATM kinase with bound inhibitor KU-55933
分子名称: 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one, Serine-protein kinase ATM, ZINC ION
著者Bartho, J.D, Stakyte, K, Rotheneder, M, Lammens, K, Hopfner, K.P.
登録日2021-02-11
公開日2021-09-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Molecular basis of human ATM kinase inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7NI6
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BU of 7ni6 by Molmil
Human ATM kinase with bound ATPyS
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ...
著者Stakyte, K, Rotheneder, M, Lammens, K, Bartho, J.D.
登録日2021-02-11
公開日2021-09-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular basis of human ATM kinase inhibition.
Nat.Struct.Mol.Biol., 28, 2021

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