5FPU
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![BU of 5fpu by Molmil](/molmil-images/mine/5fpu) | Crystal structure of human JARID1B in complex with GSKJ1 | Descriptor: | 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Srikannathasan, V, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2015-12-03 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5FWJ
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![BU of 5fwj by Molmil](/molmil-images/mine/5fwj) | Crystal structure of human JARID1C in complex with KDM5-C49 | Descriptor: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, HISTONE DEMETHYLASE JARID1C, MAGNESIUM ION, ... | Authors: | Srikannathasan, V, Szykowska, A, Strain-Damerell, C, Kopec, J, Nowak, R, Gileadi, C, Johansson, C, Kupinska, K, Burgess-Brown, N.A, Shrestha, L, Dong, W, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K, Oppermann, U. | Deposit date: | 2016-02-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5FH6
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![BU of 5fh6 by Molmil](/molmil-images/mine/5fh6) | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 | Descriptor: | (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1 | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | Deposit date: | 2015-12-21 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex. J.Med.Chem., 59, 2016
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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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4QTB
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![BU of 4qtb by Molmil](/molmil-images/mine/4qtb) | Structure of human ERK1 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Chaikuad, A, Keates, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-07 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
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5FE1
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![BU of 5fe1 by Molmil](/molmil-images/mine/5fe1) | Crystal structure of human PCAF bromodomain in complex with fragment BR004 (fragment 1) | Descriptor: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, Histone acetyltransferase KAT2B | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5FE8
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![BU of 5fe8 by Molmil](/molmil-images/mine/5fe8) | Crystal structure of human PCAF bromodomain in complex with compound SL1126 (compound 12) | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone acetyltransferase KAT2B, ... | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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4P7A
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![BU of 4p7a by Molmil](/molmil-images/mine/4p7a) | Crystal Structure of human MLH1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Mlh1, MAGNESIUM ION, ... | Authors: | Tempel, W, Lam, R, Zeng, H, Walker, J.R, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-03-26 | Release date: | 2014-04-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the human MLH1 N-terminus: implications for predisposition to Lynch syndrome. Acta Crystallogr.,Sect.F, 71, 2015
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5E1B
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![BU of 5e1b by Molmil](/molmil-images/mine/5e1b) | Crystal structure of NRMT1 in complex with SPKRIA peptide | Descriptor: | GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ... | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-29 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for substrate recognition by the human N-terminal methyltransferase 1. Genes Dev., 29, 2015
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4RCJ
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![BU of 4rcj by Molmil](/molmil-images/mine/4rcj) | Crystal structure of YTHDF1 YTH domain in complex with 5mer m6A RNA | Descriptor: | RNA (5'-R(*GP*GP*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION, YTH domain-containing family protein 1 | Authors: | Tempel, W, Xu, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-09-16 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for the Discriminative Recognition of N6-Methyladenosine RNA by the Human YT521-B Homology Domain Family of Proteins. J.Biol.Chem., 290, 2015
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5FE4
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![BU of 5fe4 by Molmil](/molmil-images/mine/5fe4) | Crystal structure of human PCAF bromodomain in complex with fragment MB364 (fragment 5) | Descriptor: | 1,2-ETHANEDIOL, 2,3-dihydro-1,4-benzodioxine-5-carboxamide, Histone acetyltransferase KAT2B | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5FV3
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![BU of 5fv3 by Molmil](/molmil-images/mine/5fv3) | Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-02-02 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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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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4QTC
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![BU of 4qtc by Molmil](/molmil-images/mine/4qtc) | Structure of human haspin (GSG2) in complex with SCH772984 revealing the first type-I binding mode | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ... | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-07 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
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4MR4
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![BU of 4mr4 by Molmil](/molmil-images/mine/4mr4) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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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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4QUT
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![BU of 4qut by Molmil](/molmil-images/mine/4qut) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)12 | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, Histone H4, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-12 | Release date: | 2014-07-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells. J Mol Cell Biol, 8, 2016
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4QTD
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![BU of 4qtd by Molmil](/molmil-images/mine/4qtd) | Structure of human JNK1 in complex with SCH772984 and the AMPPNP-hydrolysed triphosphate revealing the second type-I binding mode | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Chaikuad, A, Keates, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-07 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
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5FTA
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![BU of 5fta by Molmil](/molmil-images/mine/5fta) | Crystal structure of the N-terminal BTB domain of human KCTD10 | Descriptor: | BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 3, MERCURY (II) ION | Authors: | Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Tallant, C, Newman, J.A, Kopec, J, Fitzpatrick, F, Talon, R, Collins, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2016-01-12 | Release date: | 2016-02-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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4RXJ
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![BU of 4rxj by Molmil](/molmil-images/mine/4rxj) | crystal structure of WHSC1L1-PWWP2 | Descriptor: | Histone-lysine N-methyltransferase NSD3, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-11 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Histone and DNA binding ability studies of the NSD subfamily of PWWP domains. Biochem.Biophys.Res.Commun., 569, 2021
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5FUN
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![BU of 5fun by Molmil](/molmil-images/mine/5fun) | Crystal structure of human JARID1B in complex with GSK467 | Descriptor: | 1,2-ETHANEDIOL, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | Deposit date: | 2016-01-28 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5FUP
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![BU of 5fup by Molmil](/molmil-images/mine/5fup) | Crystal structure of human JARID1B in complex with 2-oxoglutarate. | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-01-28 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5FDZ
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![BU of 5fdz by Molmil](/molmil-images/mine/5fdz) | Crystal structure of human PCAF bromodomain in complex with compound BDOMB00091a (compound 14) | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5FE3
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![BU of 5fe3 by Molmil](/molmil-images/mine/5fe3) | Crystal structure of human PCAF bromodomain in complex with fragment MB360 (fragment 4) | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1,2-benzoxazol-3-amine, Histone acetyltransferase KAT2B | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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