4Z0R
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![BU of 4z0r by Molmil](/molmil-images/mine/4z0r) | Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide | Descriptor: | 1,2-ETHANEDIOL, Histone H3.1, SULFATE ION, ... | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-26 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide To be Published
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5FG5
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![BU of 5fg5 by Molmil](/molmil-images/mine/5fg5) | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe | Descriptor: | NITRATE ION, Peregrin, ~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Brennan, P.E, Knapp, S. | Deposit date: | 2015-12-20 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe To Be Published
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4Z02
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![BU of 4z02 by Molmil](/molmil-images/mine/4z02) | Crystal structure of BRD1 in complex with Isoquinoline-3-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, UNKNOWN ATOM OR ION, ... | Authors: | DONG, A, IQBAL, A, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-25 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of BRD1 incomplex with Isoquinoline-3-carboxylic acid to be published
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4Z9M
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![BU of 4z9m by Molmil](/molmil-images/mine/4z9m) | Crystal structure of human sarcomeric mitochondrial creatine kinase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Creatine kinase S-type, mitochondrial, ... | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-04-10 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human sarcomeric mitochondrial creatine kinase To Be Published
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5I3R
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![BU of 5i3r by Molmil](/molmil-images/mine/5i3r) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
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4FR4
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![BU of 4fr4 by Molmil](/molmil-images/mine/4fr4) | Crystal structure of human serine/threonine-protein kinase 32A (YANK1) | Descriptor: | 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A | Authors: | Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-26 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structure of human serine/threonine-protein kinase 32A (YANK1) To be Published
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6SRH
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![BU of 6srh by Molmil](/molmil-images/mine/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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4IJ8
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![BU of 4ij8 by Molmil](/molmil-images/mine/4ij8) | Crystal structure of the complex of SETD8 with SAM | Descriptor: | N-lysine methyltransferase SETD8, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION, ... | Authors: | Yu, W, Tempel, W, Li, Y, El Bakkouri, M, Shapira, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-12-21 | Release date: | 2013-01-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the complex of SETD8 with SAM To be Published
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6Q91
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![BU of 6q91 by Molmil](/molmil-images/mine/6q91) | Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2018-12-17 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide To Be Published
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6GMC
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![BU of 6gmc by Molmil](/molmil-images/mine/6gmc) | 1.2 A resolution structure of human hydroxyacid oxidase 1 bound with FMN and 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate, FLAVIN MONONUCLEOTIDE, ... | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2018-05-24 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate To Be Published
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6Q90
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![BU of 6q90 by Molmil](/molmil-images/mine/6q90) | Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2018-12-16 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea To Be Published
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6XKC
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![BU of 6xkc by Molmil](/molmil-images/mine/6xkc) | Crystal structure of E3 ligase | Descriptor: | Protein fem-1 homolog C | Authors: | Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-26 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron. Nat.Chem.Biol., 17, 2021
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4DIP
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![BU of 4dip by Molmil](/molmil-images/mine/4dip) | Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14 | Descriptor: | PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase FKBP14, SODIUM ION | Authors: | Krojer, T, Kiyani, W, Goubin, S, Muniz, J.R.C, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Oppermann, U, Zschocke, J, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2012-01-31 | Release date: | 2012-02-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14 To be Published
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7ZEJ
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![BU of 7zej by Molmil](/molmil-images/mine/7zej) | Crystal structure of the human MGC45594 gene product in complex with celecoxib. | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3 | Authors: | Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-31 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions. To Be Published
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8C7D
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![BU of 8c7d by Molmil](/molmil-images/mine/8c7d) | Structure of the GEF Kalirin DH2 Domain | Descriptor: | Kalirin | Authors: | Callens, M.C, Thompson, A.P, Gray, J.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-14 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure-based alignment and analysis of RHO selectivity of RHO-DBL GTPase exchange factors to be published
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6ROG
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![BU of 6rog by Molmil](/molmil-images/mine/6rog) | Crystal Structure of the KELCH domain of human KEAP1 | Descriptor: | FORMIC ACID, Kelch-like ECH-associated protein 1, SODIUM ION | Authors: | Sethi, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bullock, A.N, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-13 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal Structure of the KELCH domain of human KEAP1 To Be Published
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6S5H
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![BU of 6s5h by Molmil](/molmil-images/mine/6s5h) | Structure of the human RAB38 in complex with GTP | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | 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 (2 Å) | Cite: | Structure of the human RAB38 in complex with GTP To Be Published
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8PJ7
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![BU of 8pj7 by Molmil](/molmil-images/mine/8pj7) | MLLT3 in complex with compound PFI-6 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | Authors: | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | Deposit date: | 2023-06-22 | Release date: | 2023-11-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3. Bioorg.Med.Chem.Lett., 98, 2023
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4GD4
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![BU of 4gd4 by Molmil](/molmil-images/mine/4gd4) | Crystal Structure of JMJD2A Complexed with Inhibitor | Descriptor: | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ... | Authors: | King, O.N.F, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, McDonough, M.A, Schofield, C.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-07-31 | Release date: | 2012-08-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structure of JMJD2A Complexed with Inhibitor TO BE PUBLISHED
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4FU3
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![BU of 4fu3 by Molmil](/molmil-images/mine/4fu3) | CID of human RPRD1B | Descriptor: | CHLORIDE ION, Regulation of nuclear pre-mRNA domain-containing protein 1B, 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: | 2012-06-28 | Release date: | 2012-08-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CID of human RPRD1B TO BE PUBLISHED
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6RCT
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![BU of 6rct by Molmil](/molmil-images/mine/6rct) | Crystal structure of CLK3 in complex with T3-CLK | 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 CLK3 | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-04-11 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal structure of CLK3 in complex with TP003 To Be Published
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6GMB
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![BU of 6gmb by Molmil](/molmil-images/mine/6gmb) | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCOLIC ACID, ... | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-24 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate To Be Published
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4DIQ
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![BU of 4diq by Molmil](/molmil-images/mine/4diq) | Crystal Structure of human NO66 | Descriptor: | Lysine-specific demethylase NO66, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | Authors: | Vollmar, M, Krojer, T, Ng, S, Pilka, E, Bray, J, Pike, A.C.W, Filippakopoulos, P, Roos, A, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2012-01-31 | Release date: | 2012-03-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of human NO66 TO BE PUBLISHED
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6RCH
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![BU of 6rch by Molmil](/molmil-images/mine/6rch) | Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor | Descriptor: | 1,2-ETHANEDIOL, Casein kinase I isoform delta, SODIUM ION, ... | 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 (1.45 Å) | Cite: | Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor To Be Published
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8PJI
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![BU of 8pji by Molmil](/molmil-images/mine/8pji) | MLLT1 in complex with compound 10a | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ... | Authors: | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | Deposit date: | 2023-06-23 | Release date: | 2023-11-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3. Bioorg.Med.Chem.Lett., 98, 2023
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