4PY6
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![BU of 4py6 by Molmil](/molmil-images/mine/4py6) | Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum | 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, Bromodomain protein, ... | Authors: | Fonseca, M, Tallant, C, Hutchinson, A, Savitsky, P, Krojer, T, Filippakopoulos, P, Loppnau, P, Brennan, P.E, von Delft, F, Dong, A, Josling, G.A, Duffy, M.F, Arrowsmith, C.H, Bountra, C, Hui, R, Knapp, S, Wernimont, A.K, Structural Genomics Consortium (SGC) | Deposit date: | 2014-03-26 | Release date: | 2014-04-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum To be Published
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6S25
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![BU of 6s25 by Molmil](/molmil-images/mine/6s25) | Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-20 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand To Be Published
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8P30
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![BU of 8p30 by Molmil](/molmil-images/mine/8p30) | Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate | Descriptor: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2 TO BE CONFIRMED
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8P2Y
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![BU of 8p2y by Molmil](/molmil-images/mine/8p2y) | Structure of human SIT1:ACE2 complex (closed PD conformation) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2 To be published
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8P31
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![BU of 8p31 by Molmil](/molmil-images/mine/8p31) | Structure of human SIT1:ACE2 complex (closed PD conformation) bound to L-pipecolate | Descriptor: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2 To Be Published
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8P2X
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![BU of 8p2x by Molmil](/molmil-images/mine/8p2x) | Structure of human SIT1:ACE2 complex (open PD conformation) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2 To be published
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6S5F
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![BU of 6s5f by Molmil](/molmil-images/mine/6s5f) | Structure of the human RAB39B in complex with GMPPNP | Descriptor: | 1,2-ETHANEDIOL, GLYCINE, MAGNESIUM ION, ... | Authors: | Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2019-07-01 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the human RAB39B in complex with GMPPNP To Be Published
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6RCG
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![BU of 6rcg by Molmil](/molmil-images/mine/6rcg) | Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor | Descriptor: | 1,2-ETHANEDIOL, Casein kinase I isoform delta, ~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Roush, W.R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-04-11 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor To Be Published
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4HAS
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![BU of 4has by Molmil](/molmil-images/mine/4has) | Crystal structure of PX domain of human sorting nexin SNX27 | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Sorting nexin-27 | Authors: | Froese, D.S, Krojer, T, Strain-Damerell, C, Allerston, C, Kiyani, W, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-27 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of PX domain of human sorting nexin SNX27 To be Published
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6B57
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![BU of 6b57 by Molmil](/molmil-images/mine/6b57) | tudor in complex with ligand | Descriptor: | Tudor and KH domain-containing protein, UNKNOWN ATOM OR ION | Authors: | Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-09-28 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural basis for arginine methylation-independent recognition of PIWIL1 by TDRD2. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6G4Q
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![BU of 6g4q by Molmil](/molmil-images/mine/6g4q) | Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2 | Descriptor: | 1,2-ETHANEDIOL, Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial, ... | Authors: | Bailey, H.J, Shrestha, L, Rembeza, E, Sorrell, F.J, Newman, J, Strain-Damerell, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2018-03-28 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2 To Be Published
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5JN2
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![BU of 5jn2 by Molmil](/molmil-images/mine/5jn2) | Crystal structure of TgCDPK1 bound to NVPACU106 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | Authors: | El Bakkouri, M, Walker, J.R, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-04-29 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of TgCDPK1 bound to NVPACU106 To Be Published
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4EFD
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![BU of 4efd by Molmil](/molmil-images/mine/4efd) | Crystal Structure of an M17 aminopeptidase from Trypanosoma Brucei, Tb427tmp.02.4440 | Descriptor: | Aminopeptidase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Wernimont, A.K, Osman, K.T, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-29 | Release date: | 2012-05-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of an M17 aminopeptidase from Trypanosoma Brucei, Tb427tmp.02.4440 To be Published
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6RAA
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![BU of 6raa by Molmil](/molmil-images/mine/6raa) | CLK1 Kinase domain with bound imidazopyridin inhibitor TP003 | Descriptor: | 1,2-ETHANEDIOL, 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Arrowsmith, C, Knapp, S, Bountra, C, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2019-04-05 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | CLK1 Kinase domain with bound imidazopyridin inhibitor TP003 To Be Published
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5JJW
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![BU of 5jjw by Molmil](/molmil-images/mine/5jjw) | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain | Descriptor: | 1,2-ETHANEDIOL, Squamous cell carcinoma antigen recognized by T-cells 3, UNKNOWN ATOM OR ION, ... | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2016-04-25 | Release date: | 2016-05-04 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain to be published
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6SFO
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![BU of 6sfo by Molmil](/molmil-images/mine/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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4E47
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![BU of 4e47 by Molmil](/molmil-images/mine/4e47) | SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6- sulfonamide and S-adenosylmethionine | Descriptor: | (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETD7, ... | Authors: | Walker, J.R, Ouyang, H, Dong, A, Fish, P, Cook, A, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-12 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Setd7 in Complex with Inhibitor and SAM To be Published
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6SXW
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![BU of 6sxw by Molmil](/molmil-images/mine/6sxw) | Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638) | Descriptor: | SULFATE ION, Zinc finger protein 638 | Authors: | Newman, J.A, Aitkenhead, H, Wang, D, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-09-26 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.751 Å) | Cite: | Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638) To Be Published
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4HBD
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![BU of 4hbd by Molmil](/molmil-images/mine/4hbd) | Crystal structure of KANK2 ankyrin repeats | Descriptor: | KN motif and ankyrin repeat domain-containing protein 2, UNKNOWN ATOM OR ION | Authors: | Xu, C, Tempel, W, Cerovina, T, El Bakkouri, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-27 | Release date: | 2012-12-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structure of KANK2 ankyrin repeats To be Published
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4HAE
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![BU of 4hae by Molmil](/molmil-images/mine/4hae) | Crystal structure of the CDYL2-chromodomain | Descriptor: | Chromodomain Y-like protein 2, SULFATE ION, UNKNOWN ATOM OR ION | Authors: | Qin, S, Dombrovski, L, Tempel, W, Dong, A, Xu, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-26 | Release date: | 2012-10-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the CDYL2-chromodomain To be Published
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4HFG
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![BU of 4hfg by Molmil](/molmil-images/mine/4hfg) | CID of human RPRD1B | Descriptor: | Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, UNKNOWN ATOM OR ION | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2012-10-05 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CID of human RPRD1B TO BE PUBLISHED
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4QNS
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![BU of 4qns by Molmil](/molmil-images/mine/4qns) | Crystal structure of bromodomain from Plasmodium faciparum GCN5, PF3D7_0823300 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase GCN5, ... | Authors: | Fonseca, M, Tallant, C, Knapp, S, Loppnau, P, von Delft, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-18 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Crystal structure of bromodomain from Plasmodium faciparum GCN5, PF3D7_0823300 TO BE PUBLISHED
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4E71
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![BU of 4e71 by Molmil](/molmil-images/mine/4e71) | Crystal structure of the RHO GTPASE binding domain of Plexin B2 | Descriptor: | Plexin-B2, SODIUM ION | Authors: | Guan, X, Wang, H, Tempel, W, Tong, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-16 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of the RHO GTPASE binding domain of Plexin B2 to be published
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6ZFH
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![BU of 6zfh by Molmil](/molmil-images/mine/6zfh) | Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclopentane-1,4'-quinazolin]-5'(6'H)-one | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one, Galactokinase, beta-D-galactopyranose | Authors: | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.439 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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4O38
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![BU of 4o38 by Molmil](/molmil-images/mine/4o38) | Crystal structure of the human cyclin G associated kinase (GAK) | Descriptor: | Cyclin-G-associated kinase, GLYCEROL, SUCCINIC ACID | Authors: | Zhang, R, Hatzos-Skintges, C, Weger, A, Chaikuad, A, Eswaran, J, Fedorov, O, King, O, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-18 | Release date: | 2014-01-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Crystal structure of the human cyclin G associated kinase (GAK) To be Published
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