8FBG
 
 | | Crystal structure of NSD1 Mutant-Y1869C | | Descriptor: | CALCIUM ION, Histone-lysine N-methyltransferase, H3 lysine-36 specific, ... | | Authors: | Providokhina, K, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-29 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of NSD1
To Be Published
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8EOM
 | | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973 | | Descriptor: | 4-(4-methylpiperazine-1-sulfonyl)benzamide, SULFATE ION, TP53-binding protein 1, ... | | Authors: | The, J, Hong, Z, Headey, S, Gunzburg, M, Doak, B, James, L.I, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-10-03 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973
to be published
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8F8E
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound | | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1 | | Authors: | Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-21 | | Release date: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
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8G5E
 | | Crystal Structure of SETDB1 Tudor domain in complex with UNC6535 | | Descriptor: | Histone-lysine N-methyltransferase SETDB1, N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine, UNKNOWN ATOM OR ION | | Authors: | Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-13 | | Release date: | 2023-02-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
To be published
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7KYX
 | | Crystal structure of human CORO6 | | Descriptor: | Coronin-6, UNKNOWN ATOM OR ION | | Authors: | Zeng, H, Dong, A, Loppnau, P, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-09 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal structure of human CORO6
To Be Published
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7KLJ
 | | Crystal structure of the WD-repeat domain of human KIF21A | | Descriptor: | 1,2-ETHANEDIOL, Isoform 2 of Kinesin-like protein KIF21A, UNKNOWN ATOM OR ION | | Authors: | Zeng, H, Dong, A, Loppnau, P, Hutchinson, A, Seitova, A, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-10-30 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal structure of the WD-repeat domain of human KIF21A
To be Published
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7KQQ
 | | Crystal structure of human WDR55 | | Descriptor: | UNKNOWN ATOM OR ION, WD repeat-containing protein 55 | | Authors: | Zeng, H, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-17 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human WDR55
To Be Published
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7LMT
 | | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a | | Descriptor: | Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide | | Authors: | Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
To Be Published
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7M3X
 | | Crystal Structure of the Apo Form of Human RBBP7 | | Descriptor: | Histone-binding protein RBBP7, UNKNOWN ATOM OR ION | | Authors: | Righetto, G.L, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-03-19 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Crystal Structure of the Apo Form of Human RBBP7
To Be Published
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7MT1
 | | Crystal structure of Human Platelet-activating factor acetylhydrolase IB subunit beta (PAFAH1B1) | | Descriptor: | GLYCEROL, Platelet-activating factor acetylhydrolase IB subunit beta, UNKNOWN ATOM OR ION | | Authors: | Hutchinson, A, Seitova, A, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-12 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of Human Platelet-activating factor acetylhydrolase IB subunit beta (PAFAH1B1)
To Be Published
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7MWK
 | | Crystal structure of MBD2 with DNA | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*(MC)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | Authors: | Liu, K, Dong, A, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-17 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.453 Å) | | Cite: | Crystal structure of MBD2 with DNA
To Be Published
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7MWM
 | | Crystal structure of MBD2 with DNA | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | Authors: | Liu, K, Dong, A, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-17 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Crystal structure of MBD2 with DNA
To Be Published
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7MWL
 | | The TAM domain of BAZ2A in complex with a 12mer mCG DNA | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), GLYCEROL | | Authors: | Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-17 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The TAM domain of BAZ2A in complex with a 12mer mCG DNA
To Be Published
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7N27
 | | Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261 | | Descriptor: | Isoform 2 of Chromodomain Y-like protein, SODIUM ION, UNKNOWN ATOM OR ION, ... | | Authors: | Beldar, S, Dong, A, Loppnau, P, Min, J, Arrowsmith, C.H, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261
To Be Published
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7NNS
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib | | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, Momelotinib, ... | | Authors: | Williams, E, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2021-02-25 | | Release date: | 2021-04-07 | | 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 Momelotinib
To Be Published
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7NSG
 | | Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B | | Descriptor: | (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-03-05 | | Release date: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
TO BE PUBLISHED
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5FET
 | | Crystal Structure of PVX_084705 in presence of Compound 2 | | Descriptor: | 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative | | Authors: | Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-17 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Crystal Structure of PVX_084705 in presence of Compound 2
To be published
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6SFO
 | | MAPK14 with bound inhibitor SR-318 | | Descriptor: | 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | | Authors: | Schroeder, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-08-01 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | MAPK14 with bound inhibitor SR-318
To Be Published
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6SRH
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | | 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: | 2019-09-05 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
To Be Published
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7RAY
 | | Crystal structure of MBD2 with DNA | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | Authors: | Liu, K, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-05 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of MBD2 with DNA
To Be Published
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7RBQ
 | | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ... | | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-06 | | Release date: | 2021-08-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
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6SZM
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | | 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: | 2019-10-02 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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7RUO
 | | Crystal structure of human UTP15 | | Descriptor: | U3 small nucleolar RNA-associated protein 15 homolog, UNKNOWN ATOM OR ION | | Authors: | Dehghani-Tafti, S, Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-08-17 | | Release date: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human UTP15
To Be Published
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6T6F
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 8 (CS275) | | Descriptor: | 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D | | Authors: | Sorrell, F, Kraemer, A, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-10-18 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | CAMK1D bound to CS275
To Be Published
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6T6D
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 | | Descriptor: | 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide, Activin receptor type I, SULFATE ION | | 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: | 2019-10-18 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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