5ENI
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![BU of 5eni by Molmil](/molmil-images/mine/5eni) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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6EK6
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![BU of 6ek6 by Molmil](/molmil-images/mine/6ek6) | Crystal structure of KDM5B in complex with S49195a. | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | Authors: | Srikannathasan, V, Szykowska, A, Newman, J.A, Ruda, G.F, Strain-Damerell, C, Burgess-Brown, N.A, Vazquez-Rodriguez, S, Wright, M, Brennan, P.E, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-25 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of KDM5B in complex with S49195a. To be published
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3MET
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![BU of 3met by Molmil](/molmil-images/mine/3met) | Crystal structure of SGF29 in complex with H3K4me2 | Descriptor: | GLYCEROL, Histone H3, SAGA-associated factor 29 homolog, ... | Authors: | Bian, C.B, Xu, C, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-04-28 | Last modified: | 2011-08-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation. Embo J., 30, 2011
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5ENJ
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![BU of 5enj by Molmil](/molmil-images/mine/5enj) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening) | Descriptor: | MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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3H9U
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![BU of 3h9u by Molmil](/molmil-images/mine/3h9u) | S-adenosyl homocysteine hydrolase (SAHH) from Trypanosoma brucei | Descriptor: | ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ... | Authors: | Siponen, M.I, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh Nielsen, T, Kotenyova, T, Kotzsch, A, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schueler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-30 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of S-adenosyl homocysteine hydrolase (SAHH) from Trypanosoma brucei To be Published
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4PZI
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![BU of 4pzi by Molmil](/molmil-images/mine/4pzi) | Zinc finger region of MLL2 in complex with CpG DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Histone-lysine N-methyltransferase 2B, UNKNOWN ATOM OR ION, ... | Authors: | Chao, X, Tempel, W, Liu, K, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-03-31 | Release date: | 2014-06-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 26, 2018
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6I5L
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![BU of 6i5l by Molmil](/molmil-images/mine/6i5l) | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h) | Descriptor: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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3MEU
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![BU of 3meu by Molmil](/molmil-images/mine/3meu) | Crystal structure of SGF29 in complex with H3R2me2sK4me3 | Descriptor: | Histone H3, SAGA-associated factor 29 homolog, SULFATE ION | Authors: | Bian, C.B, Xu, C, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-04-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation. Embo J., 30, 2011
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6G57
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![BU of 6g57 by Molmil](/molmil-images/mine/6g57) | Structure of the H1 domain of human KCTD8 | Descriptor: | BTB/POZ domain-containing protein KCTD8 | Authors: | Pinkas, D.M, Bufton, J.C, Strain-Damerell, C.M, Fairhead, M, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-03-29 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the H1 domain of human KCTD8 To Be Published
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4L59
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![BU of 4l59 by Molmil](/molmil-images/mine/4l59) | Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex | Descriptor: | 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, Lethal(3)malignant brain tumor-like protein 3, SULFATE ION, ... | Authors: | Zhong, N, Dong, A, Ravichandran, M, Camerino, M.A, Dickson, B.M, James, L.I, Baughman, B.M, Norris, J.L, Kireev, D.B, Janzen, W.P, Graslund, S, Frye, S.V, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-06-10 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface. Medchemcomm, 4, 2013
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3OMG
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![BU of 3omg by Molmil](/molmil-images/mine/3omg) | Structure of human SND1 extended tudor domain in complex with the symmetrically dimethylated arginine PIWIL1 peptide R14me2s | Descriptor: | Staphylococcal nuclease domain-containing protein 1, dimethylated arginine peptide R14me2s | Authors: | Lam, R, Liu, K, Guo, Y.H, Bian, C.B, Xu, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-26 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for recognition of arginine methylated Piwi proteins by the extended Tudor domain. Proc.Natl.Acad.Sci.USA, 107, 2010
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3MTF
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![BU of 3mtf by Molmil](/molmil-images/mine/3mtf) | Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ... | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-30 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A new class of small molecule inhibitor of BMP signaling. Plos One, 8, 2013
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3MY0
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![BU of 3my0 by Molmil](/molmil-images/mine/3my0) | Crystal structure of the ACVRL1 (ALK1) kinase domain bound to LDN-193189 | Descriptor: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Serine/threonine-protein kinase receptor R3 | Authors: | Chaikuad, A, Alfano, I, Cooper, C, Mahajan, P, Daga, N, Sanvitale, C, Fedorov, O, Petrie, K, Savitsky, P, Gileadi, O, Sethi, R, Krojer, T, Muniz, J.R.C, Pike, A.C.W, Vollmar, M, Carpenter, C.P, Ugochukwu, E, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-08 | Release date: | 2010-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A small molecule targeting ALK1 prevents Notch cooperativity and inhibits functional angiogenesis. Angiogenesis, 18, 2015
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3E0C
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![BU of 3e0c by Molmil](/molmil-images/mine/3e0c) | Crystal Structure of DNA Damage-Binding protein 1(DDB1) | Descriptor: | DNA damage-binding protein 1 | Authors: | Amaya, M.F, Xu, L, Hao, H, Bountra, C, Wickstroem, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure and function of WD40 domain proteins. Protein Cell, 2, 2011
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4FLB
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![BU of 4flb by Molmil](/molmil-images/mine/4flb) | CID of human RPRD2 | Descriptor: | PRASEODYMIUM ION, Regulation of nuclear pre-mRNA domain-containing protein 2, SULFATE 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: | 2012-06-14 | Release date: | 2012-08-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation. Nat.Struct.Mol.Biol., 21, 2014
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3N3K
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![BU of 3n3k by Molmil](/molmil-images/mine/3n3k) | The catalytic domain of USP8 in complex with a USP8 specific inhibitor | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-20 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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4F7B
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![BU of 4f7b by Molmil](/molmil-images/mine/4f7b) | Structure of the lysosomal domain of limp-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Neculai, D, Ravichandran, M, Seitova, A, Neculai, M, Pizzaro, J.C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, D, Structural Genomics Consortium (SGC) | Deposit date: | 2012-05-15 | Release date: | 2013-10-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of LIMP-2 provides functional insights with implications for SR-BI and CD36. Nature, 504, 2013
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5ENC
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![BU of 5enc by Molmil](/molmil-images/mine/5enc) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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4Q96
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![BU of 4q96 by Molmil](/molmil-images/mine/4q96) | CID of human RPRD1B in complex with an unmodified CTD peptide | Descriptor: | RPB1-CTD, Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE 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: | 2014-04-29 | Release date: | 2014-06-04 | Last modified: | 2014-08-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation. Nat.Struct.Mol.Biol., 21, 2014
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3DAL
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![BU of 3dal by Molmil](/molmil-images/mine/3dal) | Methyltransferase domain of human PR domain-containing protein 1 | Descriptor: | PR domain zinc finger protein 1 | Authors: | Amaya, M.F, Zeng, H, Antoshenko, T, Dong, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Plotnikov, A.N, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-29 | Release date: | 2008-08-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structure
of methyltransferase domain of human PR domain-containing protein 1 To be Published
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3O70
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![BU of 3o70 by Molmil](/molmil-images/mine/3o70) | PHD-type zinc finger of human PHD finger protein 13 | Descriptor: | GLYCEROL, PHD finger protein 13, ZINC ION | Authors: | Lam, R, Bian, C.B, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-07-29 | Release date: | 2010-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3. Elife, 5, 2016
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6I5K
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![BU of 6i5k by Molmil](/molmil-images/mine/6i5k) | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h) | Descriptor: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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5J39
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![BU of 5j39 by Molmil](/molmil-images/mine/5j39) | Crystal Structure of the extended TUDOR domain from TDRD2 | Descriptor: | CACODYLATE ION, Tudor and KH domain-containing protein, UNKNOWN ATOM OR ION | Authors: | Zhang, H, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-30 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 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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5ENF
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![BU of 5enf by Molmil](/molmil-images/mine/5enf) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5Q28
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![BU of 5q28 by Molmil](/molmil-images/mine/5q28) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000186a | Descriptor: | DNA cross-link repair 1A protein, MALONATE ION, NICKEL (II) ION, ... | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PanDDA analysis group deposition To Be Published
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