6I8L
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![BU of 6i8l by Molmil](/molmil-images/mine/6i8l) | Crystal structure of Spindlin1 in complex with the inhibitor TD001851a | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ... | Authors: | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-20 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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5WAI
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![BU of 5wai by Molmil](/molmil-images/mine/5wai) | Crystal Structure of a Suz12-Rbbp4-Jarid2-Aebp2 Heterotetrameric Complex | Descriptor: | Histone-binding protein RBBP4, Jumonji, AT-rich interactive domain 2, ... | Authors: | Chen, S, Jiao, L, Liu, X. | Deposit date: | 2017-06-26 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Unique Structural Platforms of Suz12 Dictate Distinct Classes of PRC2 for Chromatin Binding. Mol. Cell, 69, 2018
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6I8Y
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![BU of 6i8y by Molmil](/molmil-images/mine/6i8y) | Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-21 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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5LHG
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![BU of 5lhg by Molmil](/molmil-images/mine/5lhg) | Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | Descriptor: | 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Cecatiello, V, Pasqualato, S. | Deposit date: | 2016-07-11 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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7XE1
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![BU of 7xe1 by Molmil](/molmil-images/mine/7xe1) | Crystal structure of LSD2 in complex with cis-4-Br-PCPA | Descriptor: | 3-(4-bromophenyl)propanal, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2022-03-29 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2 Acs Med.Chem.Lett., 13, 2022
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7XE3
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![BU of 7xe3 by Molmil](/molmil-images/mine/7xe3) | Crystal structure of LSD2 in complex with cis-4-Br-2,5-F2-PCPA (S1024) | Descriptor: | 1,2-ETHANEDIOL, 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, CITRATE ANION, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2022-03-29 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2 Acs Med.Chem.Lett., 13, 2022
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7XE2
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![BU of 7xe2 by Molmil](/molmil-images/mine/7xe2) | Crystal structure of LSD2 in complex with trans-4-Br-PCPA | Descriptor: | 3-(4-bromophenyl)propanal, CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Niwa, H, Sato, S, Umehara, T. | Deposit date: | 2022-03-29 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2 Acs Med.Chem.Lett., 13, 2022
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7BED
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![BU of 7bed by Molmil](/molmil-images/mine/7bed) | |
7BCY
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![BU of 7bcy by Molmil](/molmil-images/mine/7bcy) | |
8ESC
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![BU of 8esc by Molmil](/molmil-images/mine/8esc) | Structure of the Yeast NuA4 Histone Acetyltransferase Complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | Authors: | Patel, A.B, Zukin, S.A, Nogales, E. | Deposit date: | 2022-10-13 | Release date: | 2022-11-16 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure and flexibility of the yeast NuA4 histone acetyltransferase complex. Elife, 11, 2022
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6I8B
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![BU of 6i8b by Molmil](/molmil-images/mine/6i8b) | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | Descriptor: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | Authors: | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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7Y0I
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![BU of 7y0i by Molmil](/molmil-images/mine/7y0i) | Solution structures of ASH1L PHD domain in complex with H3K4me2 peptide | Descriptor: | ALA-ARG-THR-MLY-GLN-THR-ALA-ARG-LYS-SER-THR-GLY-GLY-LYS-ALA, Histone-lysine N-methyltransferase ASH1L, ZINC ION | Authors: | Yu, M, Zeng, L. | Deposit date: | 2022-06-05 | Release date: | 2022-10-12 | Method: | SOLUTION NMR | Cite: | Structural insight into ASH1L PHD finger recognizing methylated histone H3K4 and promoting cell growth in prostate cancer. Front Oncol, 12, 2022
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1WEU
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![BU of 1weu by Molmil](/molmil-images/mine/1weu) | Solution structure of PHD domain in ING1-like protein BAC25009 | Descriptor: | ZINC ION, inhibitor of growth family, member 4 | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-25 | Release date: | 2004-11-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of PHD domain in ING1-like protein BAC25009 To be Published
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1WE9
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![BU of 1we9 by Molmil](/molmil-images/mine/1we9) | Solution structure of PHD domain in nucleic acid binding protein-like NP_197993 | Descriptor: | PHD finger family protein, ZINC ION | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-24 | Release date: | 2004-11-24 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of PHD domain in nucleic acid binding protein-like NP_197993 To be Published
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1WES
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![BU of 1wes by Molmil](/molmil-images/mine/1wes) | Solution structure of PHD domain in inhibitor of growth family, member 1-like | Descriptor: | ZINC ION, inhibitor of growth family, member 1-like | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-25 | Release date: | 2004-11-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of PHD domain in inhibitor of growth family, member 1-like To be Published
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1X4I
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![BU of 1x4i by Molmil](/molmil-images/mine/1x4i) | Solution structure of PHD domain in inhibitor of growth protein 3 (ING3) | Descriptor: | Inhibitor of growth protein 3, ZINC ION | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-14 | Release date: | 2005-11-14 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of PHD domain in inhibitor of growth protein 3 (ING3) To be Published
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5VAR
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![BU of 5var by Molmil](/molmil-images/mine/5var) | |
5V9T
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![BU of 5v9t by Molmil](/molmil-images/mine/5v9t) | Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | Descriptor: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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4RIQ
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![BU of 4riq by Molmil](/molmil-images/mine/4riq) | |
5V9P
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![BU of 5v9p by Molmil](/molmil-images/mine/5v9p) | Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5KR7
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![BU of 5kr7 by Molmil](/molmil-images/mine/5kr7) | KDM4C bound to pyrazolo-pyrimidine scaffold | Descriptor: | 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CHLORIDE ION, FE (II) ION, ... | Authors: | Bellon, S.F, Poy, F, Setser, J.W. | Deposit date: | 2016-07-07 | Release date: | 2016-08-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of potent, selective KDM5 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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4QL1
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![BU of 4ql1 by Molmil](/molmil-images/mine/4ql1) | Crystal structure of human WDR5 in complex with compound OICR-9429 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ... | Authors: | Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-10 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia. Nat.Chem.Biol., 11, 2015
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1WEN
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![BU of 1wen by Molmil](/molmil-images/mine/1wen) | Solution structure of PHD domain in ING1-like protein BAC25079 | Descriptor: | ZINC ION, inhibitor of growth family, member 4; ING1-like protein | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-25 | Release date: | 2004-11-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of PHD domain in ING1-like protein BAC25079 To be Published
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7ZEV
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![BU of 7zev by Molmil](/molmil-images/mine/7zev) | Free form of extended Cyp33-RRM | Descriptor: | Peptidyl-prolyl cis-trans isomerase E | Authors: | Blatter, M, Allain, F, Meylan, C. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription. Sci Adv, 9, 2023
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7ZEW
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![BU of 7zew by Molmil](/molmil-images/mine/7zew) | Complex Cyp33-RRM : AAUAAA RNA | Descriptor: | Peptidyl-prolyl cis-trans isomerase E, RNA (5'-R(*AP*AP*UP*AP*AP*A)-3') | Authors: | Blatter, M, Allain, F, Meylan, C. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription. Sci Adv, 9, 2023
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