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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5L4Q
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![BU of 5l4q by Molmil](/molmil-images/mine/5l4q) | Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor) | Descriptor: | 1,2-ETHANEDIOL, AP2-associated protein kinase 1, ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide | Authors: | Sorrell, F.J, Williams, E, Fox, N, Abdul Azeez, K.R, Gileadi, O, von Delft, F, Edwards, A.M, Bountra, C, Elkins, J.M, Knapp, S. | Deposit date: | 2016-05-26 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity. J.Med.Chem., 2019
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5LB8
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![BU of 5lb8 by Molmil](/molmil-images/mine/5lb8) | Crystal structure of human RECQL5 helicase APO form. | Descriptor: | ATP-dependent DNA helicase Q5, ZINC ION | Authors: | Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-15 | Release date: | 2016-07-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5. Nucleic Acids Res., 45, 2017
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5LB5
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![BU of 5lb5 by Molmil](/molmil-images/mine/5lb5) | Crystal structure of human RECQL5 helicase in complex with ADP/Mg (tricilinc form). | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, DIMETHYL SULFOXIDE, ... | Authors: | Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-15 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5. Nucleic Acids Res., 45, 2017
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5LXD
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![BU of 5lxd by Molmil](/molmil-images/mine/5lxd) | Crystal structure of DYRK2 in complex with EHT 1610 (compound 2) | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-20 | Release date: | 2016-10-26 | Last modified: | 2017-01-11 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases. J. Med. Chem., 59, 2016
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5LUU
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![BU of 5luu by Molmil](/molmil-images/mine/5luu) | Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment | Descriptor: | 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-11 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
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5TB6
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![BU of 5tb6 by Molmil](/molmil-images/mine/5tb6) | Structure of bromodomain of CREBBP with a pyrazolo[4,3-c]pyridin fragment | Descriptor: | 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, CREB-binding protein | Authors: | Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-11 | Release date: | 2016-10-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
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2VN9
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![BU of 2vn9 by Molmil](/molmil-images/mine/2vn9) | Crystal Structure of Human Calcium Calmodulin dependent Protein Kinase II delta isoform 1, CAMKD | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN, CHLORIDE ION, ... | Authors: | Roos, A.K, Rellos, P, Salah, E, Pike, A.C.W, Fedorov, O, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2008-01-31 | Release date: | 2008-02-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation. Plos Biol., 8, 2010
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5TTF
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![BU of 5ttf by Molmil](/molmil-images/mine/5ttf) | Crystal structure of catalytic domain of G9a with MS012 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EHMT2, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ... | 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: | 2016-11-03 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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5TTW
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![BU of 5ttw by Molmil](/molmil-images/mine/5ttw) | Crystal Structure of EED in Complex with UNC4859 | Descriptor: | Polycomb protein EED, SULFATE ION, UNC4859, ... | Authors: | The, J, Barnash, K.D, Brown, P.J, Edwards, A.M, Bountra, C, Frye, S.V, James, L.I, Arrowsmith, C.H. | Deposit date: | 2016-11-04 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2. ACS Comb Sci, 19, 2017
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5MUF
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![BU of 5muf by Molmil](/molmil-images/mine/5muf) | Crystal structure of human phosphoglycerate mutase family member 5 (PGAM5) in its enzymatically active dodecameric form induced by the presence of the N-terminal WDPNWD motif | Descriptor: | PHOSPHATE ION, Serine/threonine-protein phosphatase PGAM5, mitochondrial | Authors: | Chaikuad, A, Alfano, I, Picaud, S, Filippakopoulos, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly. Structure, 25, 2017
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5TPX
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![BU of 5tpx by Molmil](/molmil-images/mine/5tpx) | Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound | Descriptor: | (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ... | Authors: | Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2016-10-21 | Release date: | 2017-01-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a PCAF Bromodomain Chemical Probe. Angew. Chem. Int. Ed. Engl., 56, 2017
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2WEL
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![BU of 2wel by Molmil](/molmil-images/mine/2wel) | Crystal structure of SU6656-bound calcium/calmodulin-dependent protein kinase II delta in complex with calmodulin | Descriptor: | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Pike, A.C.W, Rellos, P, Salah, E, Burgess-Brown, N, Keates, T, Muniz, J, Sethi, R, Roos, A, Filippakopoulos, P, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Bountra, C, Knapp, S. | Deposit date: | 2009-03-31 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation. Plos Biol., 8, 2010
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4QST
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![BU of 4qst by Molmil](/molmil-images/mine/4qst) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 1-methylquinolin 2-one | Descriptor: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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4QSP
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![BU of 4qsp by Molmil](/molmil-images/mine/4qsp) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with acetyl-lysine | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, N(6)-ACETYLLYSINE, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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4QSV
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![BU of 4qsv by Molmil](/molmil-images/mine/4qsv) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymidine | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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4QSQ
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![BU of 4qsq by Molmil](/molmil-images/mine/4qsq) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound DMSO | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, DIMETHYL SULFOXIDE, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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4QQK
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![BU of 4qqk by Molmil](/molmil-images/mine/4qqk) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) with GMS | Descriptor: | (5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-N~6~-carbamimidoyl-L-lysine, GLYCEROL, Protein arginine N-methyltransferase 6, ... | Authors: | Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural basis of arginine asymmetrical dimethylation by PRMT6. Biochem. J., 473, 2016
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4QSW
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![BU of 4qsw by Molmil](/molmil-images/mine/4qsw) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 5-methyl uridine | Descriptor: | 1,2-ETHANEDIOL, 5-methyluridine, ATPase family AAA domain-containing protein 2, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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4QSU
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![BU of 4qsu by Molmil](/molmil-images/mine/4qsu) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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4QQG
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![BU of 4qqg by Molmil](/molmil-images/mine/4qqg) | Crystal structure of an N-terminal HTATIP fragment | Descriptor: | Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and histone binding studies of the chromo barrel domain of TIP60. FEBS Lett., 592, 2018
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4QSS
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![BU of 4qss by Molmil](/molmil-images/mine/4qss) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-methylpyrrolidin-2-one, ATPase family AAA domain-containing protein 2, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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4QQ6
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![BU of 4qq6 by Molmil](/molmil-images/mine/4qq6) | Crystal Structure of tudor domain of SMN1 in complex with a small organic molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-26 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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4QQD
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![BU of 4qqd by Molmil](/molmil-images/mine/4qqd) | Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-08-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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5TTG
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![BU of 5ttg by Molmil](/molmil-images/mine/5ttg) | Crystal structure of catalytic domain of GLP with MS012 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 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: | 2016-11-03 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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