7L9Y
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7l9y by Molmil](/molmil-images/mine/7l9y) | Human PARP14 (ARTD8), catalytic fragment in complex with RBN012042 | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one, CHLORIDE ION, ... | Authors: | Dorsey, B.W, Swinger, K.K, Schenkel, L.B, Church, W.D, Perl, N.R, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W. | Deposit date: | 2021-01-05 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Targeted Degradation of PARP14 Using a Heterobifunctional Small Molecule. Chembiochem, 22, 2021
|
|
7LUN
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7lun by Molmil](/molmil-images/mine/7lun) | Human PARP14 (ARTD8), catalytic fragment in complex with RBN011980 | Descriptor: | 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Dorsey, B.W, Swinger, K.K, Schenkel, L.B, Church, W.D, Perl, N.R, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W. | Deposit date: | 2021-02-22 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Targeted Degradation of PARP14 Using a Heterobifunctional Small Molecule. Chembiochem, 22, 2021
|
|
6W65
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6w65 by Molmil](/molmil-images/mine/6w65) | Human PARP16 in complex with RBN010860 | Descriptor: | 1,2-ETHANEDIOL, 5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one, CITRIC ACID, ... | Authors: | Swinger, K.K, Wigle, T.J, Kuntz, K.W. | Deposit date: | 2020-03-16 | Release date: | 2020-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | In Vitro and Cellular Probes to Study PARP Enzyme Target Engagement. Cell Chem Biol, 27, 2020
|
|
6V3W
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6v3w by Molmil](/molmil-images/mine/6v3w) | Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment with four point mutations in complex with RBN-2397 | Descriptor: | 5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one, CHLORIDE ION, Protein mono-ADP-ribosyltransferase PARP12 | Authors: | Swinger, K.K, Gozgit, J.M, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W. | Deposit date: | 2019-11-26 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | PARP7 negatively regulates the type I interferon response in cancer cells and its inhibition triggers antitumor immunity. Cancer Cell, 39, 2021
|
|
4XDO
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4xdo by Molmil](/molmil-images/mine/4xdo) | Crystal structure of human KDM4C catalytic domain with OGA | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Lysine-specific demethylase 4C, ... | Authors: | Swinger, K.K, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-19 | Release date: | 2015-03-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening. J Biomol Screen, 20, 2015
|
|
4XDP
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4xdp by Molmil](/molmil-images/mine/4xdp) | Crystal structure of human KDM4C catalytic domain bound to tris | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Swinger, K.K, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-19 | Release date: | 2015-03-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening. J Biomol Screen, 20, 2015
|
|
4EK9
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4ek9 by Molmil](/molmil-images/mine/4ek9) | Crystal structure of DOT1L in complex with EPZ000004 | Descriptor: | 5'-deoxy-5'-(dimethylamino)adenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Jin, L. | Deposit date: | 2012-04-09 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L. Chem.Biol.Drug Des., 80, 2012
|
|
3RJW
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3rjw by Molmil](/molmil-images/mine/3rjw) | Crystal structure of histone lysine methyltransferase g9a with an inhibitor | Descriptor: | 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2011-04-15 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells. Nat.Chem.Biol., 7, 2011
|
|
6CEN
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6cen by Molmil](/molmil-images/mine/6cen) | Crystal Structure of WHSC1L1 in Complex with Inhibitor PEP21 | Descriptor: | ACE-GLY-VAL-NLE-ARG-ILE-NH2, Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, ... | Authors: | Boriack-Sjodin, P.A, Swinger, K, Farrow, N.A. | Deposit date: | 2018-02-12 | Release date: | 2018-05-09 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Identification of a peptide inhibitor for the histone methyltransferase WHSC1. PLoS ONE, 13, 2018
|
|
3P8H
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3p8h by Molmil](/molmil-images/mine/3p8h) | Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist | Descriptor: | 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, GLYCEROL, Lethal(3)malignant brain tumor-like protein, ... | Authors: | Lam, R, Herold, J.M, Ouyang, H, Tempel, W, Gao, C, Ravichandran, M, Senisterra, G, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Kireev, D, Frye, S.V, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-10-13 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Small-molecule ligands of methyl-lysine binding proteins. J.Med.Chem., 54, 2011
|
|
6WE3
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6we3 by Molmil](/molmil-images/mine/6we3) | Human PARP14 (ARTD8), catalytic fragment in complex with compound 3 | Descriptor: | 1,2-ETHANEDIOL, 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one, DI(HYDROXYETHYL)ETHER, ... | Authors: | Swinger, K.S, Schenkel, L.B, Kuntz, K.W. | Deposit date: | 2020-04-01 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants. Cell Chem Biol, 28, 2021
|
|
6WE2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6we2 by Molmil](/molmil-images/mine/6we2) | Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759 | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, Isoform 1 of Protein mono-ADP-ribosyltransferase PARP14 | Authors: | Swinger, K.K, Schenkel, L.B, Kuntz, K.W. | Deposit date: | 2020-04-01 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants. Cell Chem Biol, 28, 2021
|
|
6WE4
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6we4 by Molmil](/molmil-images/mine/6we4) | Human PARP14 (ARTD8), catalytic fragment in complex with compound 2 | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one, ... | Authors: | Swinger, K.S, Schenkel, L.B, Kuntz, K.W. | Deposit date: | 2020-04-01 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants. Cell Chem Biol, 28, 2021
|
|
4Y30
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4y30 by Molmil](/molmil-images/mine/4y30) | Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and EPZ020411 | Descriptor: | GLYCEROL, MAGNESIUM ION, N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine, ... | Authors: | Swinger, K.K, Boriack-Sjodin, P.A. | Deposit date: | 2015-02-10 | Release date: | 2015-04-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound. Acs Med.Chem.Lett., 6, 2015
|
|
4Y2H
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4y2h by Molmil](/molmil-images/mine/4y2h) | |
4X63
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4x63 by Molmil](/molmil-images/mine/4x63) | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAH | Descriptor: | Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, Protein arginine N-methyltransferase 5, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2014-12-06 | Release date: | 2015-04-22 | Last modified: | 2015-05-27 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat.Chem.Biol., 11, 2015
|
|
4X60
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4x60 by Molmil](/molmil-images/mine/4x60) | Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin | Descriptor: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2014-12-06 | Release date: | 2015-04-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat.Chem.Biol., 11, 2015
|
|
4X61
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4x61 by Molmil](/molmil-images/mine/4x61) | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM | Descriptor: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2014-12-06 | Release date: | 2015-04-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat.Chem.Biol., 11, 2015
|
|
5CCM
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5ccm by Molmil](/molmil-images/mine/5ccm) | Crystal structure of SMYD3 with SAM and EPZ030456 | Descriptor: | 6-chloranyl-2-oxidanylidene-N-[(1S,5R)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2015-07-02 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. Acs Med.Chem.Lett., 7, 2016
|
|
5CCL
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5ccl by Molmil](/molmil-images/mine/5ccl) | Crystal structure of SMYD3 with SAM and oxindole compound | Descriptor: | 1,2-ETHANEDIOL, 2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2015-07-02 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. Acs Med.Chem.Lett., 7, 2016
|
|
4EKI
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4eki by Molmil](/molmil-images/mine/4eki) | Crystal Structure of DOT1L in complex with EPZ004777 | Descriptor: | 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Jin, L. | Deposit date: | 2012-04-09 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L. Chem.Biol.Drug Des., 80, 2012
|
|
4EKG
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4ekg by Molmil](/molmil-images/mine/4ekg) | Crystal Structure of DOT1L in Complex with EPZ003696 | Descriptor: | 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific | Authors: | Jin, L. | Deposit date: | 2012-04-09 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L. Chem.Biol.Drug Des., 80, 2012
|
|