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2REY
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BU of 2rey by Molmil
Crystal structure of the PDZ domain of human dishevelled 2 (homologous to Drosophila dsh)
Descriptor: Segment polarity protein dishevelled homolog DVL-2
Authors:Papagrigoriou, E, Gileadi, C, Elkins, J, Cooper, C, Ugochukwu, E, Turnbull, A, Pike, A.C.W, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2007-09-27
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the PDZ domains of human dishevelled 2 (homologous to Drosophila dsh).
To be Published
2PPI
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BU of 2ppi by Molmil
Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin
Descriptor: Gigaxonin
Authors:Amos, A, Turnbull, A.P, Tickle, J, Keates, T, Bullock, A, Savitsky, P, Burgess-Brown, N, Debreczeni, J.E, Ugochukwu, E, Umeano, C, Pike, A.C.W, Papagrigoriou, E, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-04-30
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin.
To be Published
7B6J
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BU of 7b6j by Molmil
Crystal structure of MurE from E.coli in complex with minifrag succinimide
Descriptor: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, ...
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7B68
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BU of 7b68 by Molmil
Crystal structure of MurE from E.coli in complex with Z57299526
Descriptor: 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide, DIMETHYL SULFOXIDE, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
2RF0
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BU of 2rf0 by Molmil
Crystal structure of human mixed lineage kinase MAP3K10 SH3 domain
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 10
Authors:Ugochukwu, E, Eswaran, J, Elkins, J, Keates, T, Pike, A.C.W, Berridge, G, Savitsky, P, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-09-27
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human Mixed lineage kinase MAP3K10 SH3 domain.
To be Published
7B6G
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BU of 7b6g by Molmil
Crystal structure of MurE from E.coli in complex with Z1675346324
Descriptor: DIMETHYL SULFOXIDE, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-07
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.937 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7B6Q
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BU of 7b6q by Molmil
Crystal structure of MurE from E.coli in complex with Z57299526
Descriptor: ISOPROPYL ALCOHOL, N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-08
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7B53
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BU of 7b53 by Molmil
Crystal structure of MurE from E.coli
Descriptor: 1,2-ETHANEDIOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-03
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7AV9
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BU of 7av9 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
Descriptor: 1,2-ETHANEDIOL, PH-interacting protein
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2020-11-04
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
To Be Published
7AW6
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BU of 7aw6 by Molmil
The extracellular region of CD33 with bound sialoside analogue P22
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, ...
Authors:Bradshaw, W.J, Katis, V.L, Thompson, A.P, Arrowsmith, C.H, Edwards, A.M, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2020-11-06
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The extracellular region of CD33 with bound sialoside analogue P22
To Be Published
7B6M
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BU of 7b6m by Molmil
Crystal structure of MurE from E.coli in complex with Z1198948504
Descriptor: 1,2-ETHANEDIOL, N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC), Structural Genomics Consortium for Research on Gene Expression (SGCGES)
Deposit date:2020-12-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7B60
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BU of 7b60 by Molmil
Crystal structure of MurE from E.coli in complex with Z1269139261
Descriptor: 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ...
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7B6N
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BU of 7b6n by Molmil
Crystal structure of MurE from E.coli in complex with Z757284952
Descriptor: 1,2-ETHANEDIOL, N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7B6K
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BU of 7b6k by Molmil
Crystal structure of MurE from E.coli in complex with Z57715447
Descriptor: 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.838 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7B61
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BU of 7b61 by Molmil
Crystal structure of MurE from E.coli in complex with Z57299526
Descriptor: (R)-N-(1-cyclopropylethyl)-6-methylpicolinamide, (S)-N-(1-cyclopropylethyl)-6-methylpicolinamide, CITRIC ACID, ...
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-07
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7B6O
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BU of 7b6o by Molmil
Crystal structure of E.coli MurE mutant - C269S C340S C450S
Descriptor: ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-08
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
2Q9V
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BU of 2q9v by Molmil
Crystal structure of the C890S mutant of the 4th PDZ domain of human membrane associated guanylate kinase
Descriptor: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1
Authors:Pilka, E.S, Hozjan, V, Kavanagh, K.L, Papagrigoriou, E, Cooper, C, Elkins, J.M, Doyle, D.A, von Delft, F, Sundstrom, M, Arrowsmith, C.A, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-06-14
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the C890S mutant of the 4th PDZ domain of human membrane associated guanylate kinase.
To be Published
7AJN
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BU of 7ajn by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
Authors:Picaud, S, Hassel-Hart, S, Tobias, K, Spencer, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P.
Deposit date:2020-09-29
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
To Be Published
7B6L
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BU of 7b6l by Molmil
Crystal structure of MurE from E.coli in complex with Z57299368
Descriptor: (1-ethyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee, ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7AV8
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BU of 7av8 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
Descriptor: PH-interacting protein
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2020-11-04
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published
7B6I
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BU of 7b6i by Molmil
Crystal structure of MurE from E.coli in complex with Z1373445602
Descriptor: 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, CITRIC ACID, ISOPROPYL ALCOHOL, ...
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7B6P
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BU of 7b6p by Molmil
Crystal structure of E.coli MurE - C269S C340S C450S in complex with Ellman's reagent
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, ISOPROPYL ALCOHOL, ...
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-08
Release date:2020-12-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
6ZSL
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BU of 6zsl by Molmil
Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution
Descriptor: PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ZINC ION
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Arrowsmith, C.H, von Delft, F, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-07-15
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
2PN8
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BU of 2pn8 by Molmil
Crystal structure of human peroxiredoxin 4 (thioredoxin peroxidase)
Descriptor: Peroxiredoxin-4
Authors:Pilka, E.S, Kavanagh, K.L, Cooper, C, von Delft, F, Sundstrom, M, Arrowsmith, C.A, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-04-24
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human peroxiredoxin 4 (thioredoxin peroxidase).
To be Published
7AEG
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BU of 7aeg by Molmil
SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide
Authors:Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
Deposit date:2020-09-17
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021

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