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6P0R
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BU of 6p0r by Molmil
Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
Descriptor: (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine, Histone-lysine N-methyltransferase SUV39H2, UNKNOWN ATOM OR ION, ...
Authors:Halabelian, L, Dong, A, Zeng, H, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2019-05-17
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
to be published
4YVD
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BU of 4yvd by Molmil
Crytsal structure of human Pleiotropic Regulator 1 (PRL1)
Descriptor: CHLORIDE ION, Pleiotropic regulator 1, SODIUM ION, ...
Authors:Dong, A, Zeng, H, Xu, C, Tempel, W, Li, Y, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2015-03-19
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crytsal structure of human Pleiotropic Regulator 1 (PRL1).
to be published
6PBG
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BU of 6pbg by Molmil
Crystal structure of WD-repeat domain of human coatomer subunit Alpha (COPA)
Descriptor: Coatomer subunit alpha, L(+)-TARTARIC ACID, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-06-13
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of W repeat domain of human coatomer subunit Alpha (COPA)
to be published
6PFL
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BU of 6pfl by Molmil
Crystal structure of Human HUWE1 WWE domain in complex with ADPR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, E3 ubiquitin-protein ligase HUWE1, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-06-21
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Human HUWE1 WWE domain in complex with ADPR
to be published
5U9N
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BU of 5u9n by Molmil
Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine
Descriptor: Bromo domain containing protein, Bromosporine, SULFATE ION
Authors:Hou, C.F.D, Lin, Y.H, Loppnau, P, Hutchinson, A, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-12-16
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine
To be published
5N2M
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BU of 5n2m by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
5ULO
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BU of 5ulo by Molmil
Crystal Structure of 14-3-3 zeta in Complex with a Serine 124-phosphorylated TBC1D7 peptide
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein zeta/delta, TBC1 domain family member 7 peptide, ...
Authors:DONG, A, HU, J, MADIGAN, J, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC)
Deposit date:2017-01-25
Release date:2018-01-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal Structure of 14-3-3 zeta in Complex with a Serine 124-phosphorylated TBC1D7 peptide
to be published
5ULC
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BU of 5ulc by Molmil
PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
Descriptor: Bromodomain protein 1
Authors:Wernimont, A.K, Amaya, M.F, Lam, A, Ali, A, Zhang, A.Z, Kenzina, L, Lin, Y.H, MacKenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Hui, R, Walker, J.R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC)
Deposit date:2017-01-24
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
To be published
5V9J
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BU of 5v9j by Molmil
Crystal structure of catalytic domain of GLP with MS0105
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase EHMT1, ...
Authors:Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2017-03-23
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of catalytic domain of GLP with MS0105
to be published
5VBD
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BU of 5vbd by Molmil
Crystal structure of a putative UBL domain of USP9X
Descriptor: UNKNOWN ATOM OR ION, USP9X
Authors:Dong, A, Chern, Y, Hou, F, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2017-03-29
Release date:2017-04-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a putative UBL domain of USP9X
to be published
5UNA
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BU of 5una by Molmil
Fragment of 7SK snRNA methylphosphate capping enzyme
Descriptor: 7SK snRNA methylphosphate capping enzyme, S-ADENOSYL-L-HOMOCYSTEINE, unidentified peptide section/fragment
Authors:Wu, H, Tempel, W, Dombrovski, L, McCarthy, A.A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-01-30
Release date:2017-03-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fragment of 7SK snRNA methylphosphate capping enzyme
To Be Published
5VBB
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BU of 5vbb by Molmil
Human RNA Pseudouridylate Synthase Domain Containing 1
Descriptor: CHLORIDE ION, GLYCEROL, RNA pseudouridylate synthase domain-containing protein 1, ...
Authors:DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2017-03-29
Release date:2017-04-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Human RNA Pseudouridylate Synthase Domain Containing 1
to be published
5VEI
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BU of 5vei by Molmil
Crystal structure of the SH3 domain of human sorbin and SH3 domain-containing protein 2
Descriptor: Sorbin and SH3 domain-containing protein 2, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Huang, H, Gu, J, Liu, K, Sidhu, S.S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-04-04
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal structure of the SH3 domain of human sorbin and SH3 domain-containing protein 2
To be Published
3MAO
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BU of 3mao by Molmil
Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
Descriptor: FE (III) ION, MALONATE ION, Methionine-R-sulfoxide reductase B1, ...
Authors:Chaikuad, A, Shafqat, N, Yue, W.W, Savitsky, P, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2010-03-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
To be Published
6QH4
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BU of 6qh4 by Molmil
Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant
Descriptor: COBALT (II) ION, Methylmalonyl-CoA epimerase, mitochondrial
Authors:Bailey, H.J, Chaikuid, A, Krysztofinska, E, Froese, D.S, Sorrell, F.J, Diaz-Saez, L, Kennedy, E, Edwards, A.M, Bountra, C, Yue, W.W.
Deposit date:2019-01-15
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant
To Be Published
5M9O
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BU of 5m9o by Molmil
Crystal structure of human SND1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
Descriptor: E2F peptide, Staphylococcal nuclease domain-containing protein 1
Authors:Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Siejka, P, Sorrell, F.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-11-01
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of human SND1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
To Be Published
5TCM
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BU of 5tcm by Molmil
First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
Descriptor: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Uncharacterized protein
Authors:Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-09-15
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
To be published
5T6K
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BU of 5t6k by Molmil
Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
Descriptor: 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC)
Deposit date:2016-09-01
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19
to be published
6OQM
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BU of 6oqm by Molmil
crystal structure of the MSH6 PWWP domain
Descriptor: DNA mismatch repair protein Msh6, MAGNESIUM ION, SULFATE ION, ...
Authors:Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2019-04-26
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:crystal structure of the MSH6 PWWP domain
To Be Published
6OOV
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BU of 6oov by Molmil
Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA
Descriptor: DNA (5'-D(*CP*AP*AP*CP*GP*TP*TP*GP*TP*TP*TP*TP*T)-3'), Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-04-23
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA
To Be Published
5W1Y
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BU of 5w1y by Molmil
SETD8 in complex with a covalent inhibitor
Descriptor: 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION
Authors:Tempel, W, Yu, W, Li, Y, Blum, G, Luo, M, Pittella-Silva, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2017-06-05
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SETD8 in complex with a covalent inhibitor
to be published
5N2L
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BU of 5n2l by Molmil
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ...
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
To Be Published
5V9I
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BU of 5v9i by Molmil
Crystal structure of catalytic domain of G9a with MS0105
Descriptor: GLYCEROL, Histone-lysine N-methyltransferase EHMT2, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ...
Authors:Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2017-03-23
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of catalytic domain of G9a with MS0105
to be published
5UY6
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BU of 5uy6 by Molmil
Crystal Structure of the Human CAMKK2B
Descriptor: 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2
Authors:Counago, R.M, Dewry, D, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-02-23
Release date:2017-03-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Human CAMKK2B
To Be Published
6QU2
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BU of 6qu2 by Molmil
Crystal structure of DYRK1A complexed with FC162 inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one, DIMETHYL SULFOXIDE, ...
Authors:Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-02-26
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of DYRK1A complexed with FC162 inhibitor
To Be Published

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