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6YYK
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BU of 6yyk by Molmil
Crystal Structure of 1,5-dimethylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 1,5-dimethyl-3~{H}-indol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To Be Published
6YYF
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BU of 6yyf by Molmil
Crystal Structure of 5-chloroindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 5-chloranyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To Be Published
6YYG
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BU of 6yyg by Molmil
Crystal Structure of 5-(trifluoromethoxy)indoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 5-(trifluoromethyloxy)-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-05-05
Release date:2021-05-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To Be Published
6TVN
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BU of 6tvn by Molmil
Crystal Structure of 5-bromoindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase
Descriptor: 5-bromanyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-01-10
Release date:2020-11-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
7OWG
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BU of 7owg by Molmil
human DEPTOR in a complex with mutant human mTORC1 A1459P
Descriptor: DEP domain-containing mTOR-interacting protein, Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, ...
Authors:Heimhalt, M, Berndt, A, Wagstaff, J, Anandapadamanaban, M, Perisic, O, Maslen, S, McLaughlin, S, Yu, W.-H, Masson, G.R, Boland, A, Ni, X, Yamashita, K, Murshudov, G.N, Skehel, M, Freund, S.M, Williams, R.L.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Bipartite binding and partial inhibition links DEPTOR and mTOR in a mutually antagonistic embrace.
Elife, 10, 2021
6RIQ
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BU of 6riq by Molmil
MinCD filament from Pseudomonas aeruginosa
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MinC, ...
Authors:Szewczak-Harris, A, Wagstaff, J, Lowe, J.
Deposit date:2019-04-24
Release date:2019-06-19
Last modified:2019-08-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the MinCD copolymeric filament from Pseudomonas aeruginosa at 3.1 angstrom resolution.
Febs Lett., 593, 2019
6TT2
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BU of 6tt2 by Molmil
The PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: MAGNESIUM ION, Tyrosine-protein kinase BTK, ZINC ION
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2019-12-23
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
6TSE
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BU of 6tse by Molmil
Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 1-methylindole-2,3-dione, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2019-12-20
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
6TUH
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BU of 6tuh by Molmil
PH domain of Bruton's tyrosine kinase bound to compound 1
Descriptor: 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-01-07
Release date:2020-11-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
7QUC
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BU of 7quc by Molmil
D. melanogaster alpha/beta tubulin heterodimer in the GDP form
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J.
Deposit date:2022-01-17
Release date:2022-09-21
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
7QUD
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BU of 7qud by Molmil
D. melanogaster alpha/beta tubulin heterodimer in the GTP form
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tubulin alpha-1 chain, ...
Authors:Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J.
Deposit date:2022-01-17
Release date:2022-09-21
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
7QUQ
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BU of 7quq by Molmil
BtubA(R284G,K286D,F287G):BtubB bacterial tubulin M-loop mutant forming a single protofilament (Prosthecobacter dejongeii)
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Tubulin beta, Tubulin domain-containing protein
Authors:Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J.
Deposit date:2022-01-18
Release date:2022-09-21
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
7QUP
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BU of 7qup by Molmil
D. melanogaster 13-protofilament microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J.
Deposit date:2022-01-18
Release date:2022-11-02
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
4WZP
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BU of 4wzp by Molmil
Ser65 phosphorylated ubiquitin, major conformation
Descriptor: SULFATE ION, ubiquitin
Authors:Wauer, T, Wagstaff, J, Freund, S.M.V, Komander, D.
Deposit date:2014-11-20
Release date:2015-01-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ubiquitin Ser65 phosphorylation affects ubiquitin structure, chain assembly and hydrolysis.
Embo J., 34, 2015
7OWD
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BU of 7owd by Molmil
Structure of CYLD CAP-Gly3 (467-552) bound to Ub; tetragonal space group
Descriptor: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase CYLD
Authors:Elliott, P.R, Komander, D.
Deposit date:2021-06-17
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Regulation of CYLD activity and specificity by phosphorylation and ubiquitin-binding CAP-Gly domains.
Cell Rep, 37, 2021
7OWC
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BU of 7owc by Molmil
Structure of CYLD CAP-Gly3 (467-565) bound to Ub; orthorhobic space group
Descriptor: Deubiquitinating enzyme CYLD, Ubiquitin-60S ribosomal protein L40
Authors:Elliott, P.R, Komander, D.
Deposit date:2021-06-17
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Regulation of CYLD activity and specificity by phosphorylation and ubiquitin-binding CAP-Gly domains.
Cell Rep, 37, 2021
5LJM
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BU of 5ljm by Molmil
Structure of SPATA2 PUB domain
Descriptor: GLYCEROL, Spermatogenesis-associated protein 2
Authors:Elliott, P.R, Komander, D.
Deposit date:2016-07-18
Release date:2016-08-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
5LJN
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BU of 5ljn by Molmil
Structure of the HOIP PUB domain bound to SPATA2 PIM peptide
Descriptor: E3 ubiquitin-protein ligase RNF31, GLYCEROL, SULFATE ION, ...
Authors:Elliott, P.R, Komander, D.
Deposit date:2016-07-18
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
6TL1
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BU of 6tl1 by Molmil
Crystal structure of the TASOR pseudo-PARP domain
Descriptor: GLYCEROL, Protein TASOR
Authors:Douse, C.H, Timms, R.T, Freund, S.M.V, Modis, Y.
Deposit date:2019-11-29
Release date:2020-09-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:TASOR is a pseudo-PARP that directs HUSH complex assembly and epigenetic transposon control.
Nat Commun, 11, 2020
5QUE
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BU of 5que by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUF
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BU of 5quf by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUB
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BU of 5qub by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 30 seconds at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUC
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BU of 5quc by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 60 seconds at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUH
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BU of 5quh by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 2 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUD
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BU of 5qud by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 mM
Descriptor: PHOSPHATE ION, RadA, naphthalene-2,3-diol
Authors:Marsh, M, Hyvonen, M.
Deposit date:2020-01-27
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published

 

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