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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
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
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
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
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
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
8BI5
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BU of 8bi5 by Molmil
Crystal structure of human Choline Kinase A in complex with UNC0737
Descriptor: 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ...
Authors:Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2022-11-01
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human Choline Kinase A in complex with UNC0737
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
8BI6
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BU of 8bi6 by Molmil
Crystal structure of human Choline Kinase A in complex with UNC0638
Descriptor: 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ...
Authors:Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2022-11-01
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human Choline Kinase A in complex with UNC0638
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
7A21
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BU of 7a21 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2020-08-14
Release date:2020-09-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2153
To Be Published
7B9E
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BU of 7b9e by Molmil
Crystal structure of MurE from E.coli in complex with Z275151340
Descriptor: 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide, ISOPROPYL ALCOHOL, 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:2020-12-14
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7B9W
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BU of 7b9w by Molmil
Crystal structure of MurE from E.coli in complex with Z757284380
Descriptor: 1,2-ETHANEDIOL, 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide, 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:2020-12-14
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
8D41
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BU of 8d41 by Molmil
Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
Descriptor: (1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid, Coatomer subunit beta', GLYCEROL, ...
Authors:Zeng, H, Saraon, P, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-06-01
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
To Be Published
7BBO
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BU of 7bbo by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P212121
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, 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:2020-12-18
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published
7BBP
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BU of 7bbp by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Histone H4, ...
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:2020-12-18
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac
To Be Published
8D30
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BU of 8d30 by Molmil
Crystal structure of the human COPB2 WD-domains
Descriptor: 1,2-ETHANEDIOL, Coatomer subunit beta'
Authors:Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-05-31
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the human COPB2 WD-domains
To Be Published
4QY4
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BU of 4qy4 by Molmil
Crystal structure of the bromodomain of human SMARCA2
Descriptor: SMARCA2 protein, ZINC ION
Authors:Tallant, C, Savitsky, P, Nunez-Alonso, G, Fonseca, M, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-23
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of the bromodomain of human SMARCA2
To be Published
4RG1
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BU of 4rg1 by Molmil
Methyltransferase domain of C9orf114
Descriptor: C9orf114, POLYETHYLENE GLYCOL (N=34), S-1,2-PROPANEDIOL, ...
Authors:Dong, A, Zeng, H, Walker, J.R, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-09-29
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Crystal Structure of Human C9orf114 in complex with S-adenosyl-homocysteine
To be Published
4RGJ
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BU of 4rgj by Molmil
Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
Descriptor: Calcium-dependent protein kinase 4
Authors:Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC)
Deposit date:2014-09-30
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
To be Published
4ROJ
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BU of 4roj by Molmil
Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide
Descriptor: Guanine nucleotide exchange factor VAV2, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-10-28
Release date:2014-12-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide
TO BE PUBLISHED
4RZ0
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BU of 4rz0 by Molmil
Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c
Descriptor: PFL0690c, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2014-12-17
Release date:2015-01-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c
To be Published

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