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2XEE
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BU of 2xee by Molmil
Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins With a Redesigned C-capping Module.
分子名称: NI3C DARPIN MUTANT5
著者Kramer, M, Wetzel, S.K, Pluckthun, A, Mittl, P, Grutter, M.
登録日2010-05-14
公開日2010-08-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins with a Redesigned C-Capping Module.
J.Mol.Biol., 404, 2010
2XEN
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BU of 2xen by Molmil
Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins With a Redesigned C-capping Module.
分子名称: 1,2-ETHANEDIOL, METHANOL, NI1C MUT4, ...
著者Kramer, M, Wetzel, S.K, Pluckthun, A, Mittl, P, Grutter, M.
登録日2010-05-17
公開日2010-08-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins with a Redesigned C-Capping Module.
J.Mol.Biol., 404, 2010
2XEH
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BU of 2xeh by Molmil
Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins With a Redesigned C-capping Module.
分子名称: NI3C MUT6, SULFATE ION
著者Kramer, M, Wetzel, S.K, Pluckthun, A, Mittl, P, Grutter, M.
登録日2010-05-14
公開日2010-08-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins with a Redesigned C-Capping Module.
J.Mol.Biol., 404, 2010
7MCE
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BU of 7mce by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol
分子名称: 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4
著者Sheriff, S.
登録日2021-04-02
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype.
Bioorg.Med.Chem.Lett., 51, 2021
7MCF
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BU of 7mcf by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
分子名称: 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4
著者Sheriff, S.
登録日2021-04-02
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Development of BET inhibitors as potential treatments for cancer: A search for structural diversity.
Bioorg.Med.Chem.Lett., 44, 2021
7UZN
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BU of 7uzn by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP
分子名称: 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ...
著者Sheriff, S.
登録日2022-05-09
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.685 Å)
主引用文献Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
8BZP
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BU of 8bzp by Molmil
JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety
分子名称: 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ...
著者Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M.
登録日2022-12-15
公開日2023-08-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery.
J.Med.Chem., 66, 2023
8A92
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BU of 8a92 by Molmil
p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine, Cellular tumor antigen p53, ...
著者Stahlecker, J, Braun, M.B, Stehle, T, Boeckler, F.M.
登録日2022-06-27
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C.
Rsc Med Chem, 13, 2022
7ZH8
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BU of 7zh8 by Molmil
DYRK1a in Complex with a Bromo-Triazolo-Pyridine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ...
著者Dammann, M, Stahlecker, J, Stehle, T, Boeckler, F.M.
登録日2022-04-05
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes.
J.Med.Chem., 65, 2022
1ZW8
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BU of 1zw8 by Molmil
Solution structure of a ZAP1 zinc-responsive domain provides insights into metalloregulatory transcriptional repression in Saccharomyces cerevisiae
分子名称: ZINC ION, Zinc-responsive transcriptional regulator ZAP1
著者Wang, Z, Feng, L.S, Venkataraman, K, Matskevich, V.A, Parasuram, P, Laity, J.H.
登録日2005-06-03
公開日2006-01-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a Zap1 zinc-responsive domain provides insights into metalloregulatory transcriptional repression in Saccharomyces cerevisiae.
J.Mol.Biol., 357, 2006

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件を2024-07-31に公開中

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