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5CT7
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BU of 5ct7 by Molmil
BRAF in Complex with RAF265
Descriptor: 1-methyl-5-({2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine, Serine/threonine-protein kinase B-raf
Authors:Appleton, B.A.
Deposit date:2015-07-23
Release date:2015-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Discovery of RAF265: A Potent mut-B-RAF Inhibitor for the Treatment of Metastatic Melanoma.
Acs Med.Chem.Lett., 6, 2015
6E75
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BU of 6e75 by Molmil
Structure of Human Transthyretin Asp38Ala Mutant
Descriptor: ACETATE ION, Transthyretin
Authors:Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Variants of Transthyretin
To Be Published
1X32
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BU of 1x32 by Molmil
Three Dimensional Solution Structure of the Chromo1 domain of cpSRP43
Descriptor: chloroplast signal recognition particle component
Authors:Sivaraja, V, Kumar, T.K, Henry, R, Yu, C.
Deposit date:2005-04-28
Release date:2005-09-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Three-dimensional solution structures of the chromodomains of cpSRP43
J.Biol.Chem., 280, 2005
8OYS
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BU of 8oys by Molmil
De novo designed TIM barrel fold TBF_24
Descriptor: CHLORIDE ION, De novo designed TIM-barrel
Authors:Pacesa, M, Correia, B.E.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
8OYV
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BU of 8oyv by Molmil
De novo designed Claudin fold CLF_4
Descriptor: De novo designed soluble Claudin
Authors:Pacesa, M, Correia, B.E.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
8OYX
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BU of 8oyx by Molmil
De novo designed soluble GPCR-like fold GLF_18
Descriptor: De novo designed soluble GPCR-like protein, PHOSPHATE ION
Authors:Pacesa, M, Correia, B.E.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
8OYY
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BU of 8oyy by Molmil
De novo designed soluble GPCR-like fold GLF_32
Descriptor: CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM ION
Authors:Pacesa, M, Correia, B.E.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
8OYW
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BU of 8oyw by Molmil
De novo designed rhomboid protease-like fold RPF_9
Descriptor: De novo designed soluble Rhomboid protease-like protein, SODIUM ION
Authors:Pacesa, M, Correia, B.E.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
3Q96
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BU of 3q96 by Molmil
B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor
Descriptor: (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Sintchak, M.D, Aertgeerts, K, Yano, J.
Deposit date:2011-01-07
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
9BEI
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BU of 9bei by Molmil
Cryo-EM structure of synthetic claudin-4 complex with Clostridium perfringens enterotoxin C-terminal domain, sFab COP-2, and Nanobody
Descriptor: Anti-fab nanobody, COP-2 Fab Heavy chain, COP-2 Fab Light chain, ...
Authors:Vecchio, A.J.
Deposit date:2024-04-15
Release date:2024-04-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
4EEY
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BU of 4eey by Molmil
Crystal structure of human DNA polymerase eta in ternary complex with a cisplatin DNA adduct
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*TP*GP*GP*TP*CP*TP*CP*CP*TP*CP*C)-3', 5'-D(*TP*GP*GP*AP*GP*GP*AP*GP*A)-3', ...
Authors:Ummat, A, Rechkoblit, O, Jain, R, Choudhury, J.R, Johnson, R.E, Silverstein, T.D, Buku, A, Lone, S, Prakash, L, Prakash, S, Aggarwal, A.K.
Deposit date:2012-03-28
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural basis for cisplatin DNA damage tolerance by human polymerase {eta} during cancer chemotherapy.
Nat.Struct.Mol.Biol., 19, 2012
8OIZ
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BU of 8oiz by Molmil
Crystal structure of human CRBN-DDB1 in complex with Pomalidomide
Descriptor: 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Le Bihan, Y.-V, Cabry, M.P, van Montfort, R.L.M.
Deposit date:2023-03-23
Release date:2023-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
8OJH
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BU of 8ojh by Molmil
Crystal structure of human CRBN-DDB1 in complex with compound 4
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione, DNA damage-binding protein 1, ...
Authors:Cabry, M.P, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2023-03-24
Release date:2023-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
7LGS
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BU of 7lgs by Molmil
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W.
Deposit date:2021-01-21
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mobocertinib (TAK-788): A Targeted Inhibitor of EGFR Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Cancer Discov, 11, 2021
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