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8QTK
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Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.873 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTJ
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Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTH
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Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8)
分子名称: 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTG
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BU of 8qtg by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QNI
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BU of 8qni by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
分子名称: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNH
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BU of 8qnh by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
分子名称: 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNG
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BU of 8qng by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
分子名称: 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8GCY
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BU of 8gcy by Molmil
Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor
分子名称: 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ...
著者Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-03-03
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
7SIY
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BU of 7siy by Molmil
cCBL TKB domain in complex with pZAP70 peptide
分子名称: E3 ubiquitin-protein ligase CBL, MAGNESIUM ION, Peptide from Tyrosine-protein kinase ZAP-70
著者Murray, J.M, Yu, C.
登録日2021-10-15
公開日2022-11-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献cCBL TKB domain in complex with pZAP70 peptide
To Be Published
6XAR
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BU of 6xar by Molmil
Structure of CBL tyrosine kinase binding domain (TKBD) with C-terminal tail of Src-like kinase protein 2 (SLAP2)
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase CBL, Src-like-adapter 2
著者Wybenga-Groot, L.E, McGlade, C.J.
登録日2020-06-04
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献SLAP2 Adaptor Binding Disrupts c-CBL Autoinhibition to Activate Ubiquitin Ligase Function.
J.Mol.Biol., 433, 2021
6O03
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BU of 6o03 by Molmil
Monobody (MC17) bound to tyrosine kinase binding domain of E3 ubiquitin ligase CBL
分子名称: E3 ubiquitin-protein ligase CBL, Monobody (MC17)
著者Kukenshoner, T, Pojer, F, Hantschel, O.
登録日2019-02-15
公開日2020-08-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Monobody (MC17) bound to tyrosine kinase binding domain of E3 ligase CBL
To Be Published
6O02
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BU of 6o02 by Molmil
Monobody (MC3) bound to tyrosine kinase binding domain of E3 ubiquitin ligase CBL
分子名称: E3 ubiquitin-protein ligase CBL, Monobody (MC3)
著者Kukenshoner, T, Pojer, F, Hantschel, O.
登録日2019-02-15
公開日2020-08-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.953 Å)
主引用文献Monobody (MC3) bound to tyrosine kinase binding domain of E3 ubiquitin ligase CBL
To Be Published
6BK5
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BU of 6bk5 by Molmil
Inactive choanoflagellate E3 ubiquitin ligase Cbl TKB
分子名称: CALCIUM ION, Ubiquitin Ligase Cbl
著者Amacher, J.F, Kuriyan, J.
登録日2017-11-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Phosphorylation control of the ubiquitin ligase Cbl is conserved in choanoflagellates.
Protein Sci., 27, 2018
5O76
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BU of 5o76 by Molmil
Structure of phosphoY371 c-CBL in complex with ZAP70-peptide and UbV.pCBL ubiquitin variant
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase CBL, Tyrosine protein kinase ZAP70 peptide, ...
著者Gabrielsen, M, Buetow, L, Huang, D.T.
登録日2017-06-08
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.473 Å)
主引用文献A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
5J3X
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BU of 5j3x by Molmil
Structure of c-CBL Y371F
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase CBL, ZINC ION
著者Huang, D.T, Buetow, L, Dou, H.
登録日2016-03-31
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.822 Å)
主引用文献Casitas B-lineage lymphoma linker helix mutations found in myeloproliferative neoplasms affect conformation.
Bmc Biol., 14, 2016
5HL0
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BU of 5hl0 by Molmil
Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (54-60, pY55) Refined to 2.2A Resolution
分子名称: E3 ubiquitin-protein ligase CBL, SODIUM ION, Sprouty 2 (SPRY2)
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (54-60, pY55) Refined to 2.2A Resolution
To Be Published
5HKZ
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BU of 5hkz by Molmil
Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form)
分子名称: E3 ubiquitin-protein ligase CBL, Protein sprouty homolog 2, SODIUM ION
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form)
To be published
5HKY
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BU of 5hky by Molmil
Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase CBL, PENTAETHYLENE GLYCOL, ...
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
To be published
5HKX
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BU of 5hkx by Molmil
Crystal Structure of c-Cbl TKBD-RING domains (Y371E mutant) Refined to 1.85 A Resolution
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CBL, SODIUM ION, ...
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of c-Cbl TKBD-RING domains (Y371E mutant) Refined to 1.85 A Resolution
To be published
5HKW
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BU of 5hkw by Molmil
Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution
分子名称: E3 ubiquitin-protein ligase CBL, SODIUM ION
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution
To be published
5AXI
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BU of 5axi by Molmil
Crystal structure of Cbl-b TKB domain in complex with Cblin
分子名称: CALCIUM ION, CHLORIDE ION, Cblin, ...
著者Ohno, A, Maita, N, Ochi, A, Nakao, R, Nikawa, T.
登録日2015-07-29
公開日2016-03-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of the TKB domain of ubiquitin ligase Cbl-b complexed with its small inhibitory peptide, Cblin
Arch.Biochem.Biophys., 594, 2016
4GPL
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BU of 4gpl by Molmil
Structure of Cbl(TKB) bound to a phosphorylated pentapeptide
分子名称: ACE-PTR-THR-PRO-GLU-PRO, PEPTIDE INHIBITOR, E3 ubiquitin-protein ligase CBL
著者Borgstahl, G, Natarajan, A.
登録日2012-08-21
公開日2013-09-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The paradox of conformational constraint in the design of Cbl(TKB)-binding peptides.
Sci Rep, 3, 2013
4A4C
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BU of 4a4c by Molmil
Structure of phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex
分子名称: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ...
著者Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
登録日2011-10-08
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl
Nat.Struct.Mol.Biol., 19, 2012
4A4B
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BU of 4a4b by Molmil
Structure of modified phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex
分子名称: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ...
著者Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
登録日2011-10-08
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl
Nat.Struct.Mol.Biol., 19, 2012
3ZNI
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BU of 3zni by Molmil
Structure of phosphoTyr363-Cbl-b - UbcH5B-Ub - ZAP-70 peptide complex
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL-B, ...
著者Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T.
登録日2013-02-14
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Essentiality of a Non-Ring Element in Priming Donor Ubiquitin for Catalysis by a Monomeric E3.
Nat.Struct.Mol.Biol., 20, 2013

 

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