6WE3
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![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
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6WE4
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![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
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1P78
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![BU of 1p78 by Molmil](/molmil-images/mine/1p78) | Anabaena HU-DNA cocrystal structure (AHU2) | Descriptor: | 5'-D(*TP*GP*CP*AP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*AP*CP*C)-3', DNA-binding protein HU | Authors: | Swinger, K.S, Lemberg, K.M, Zhang, Y, Rice, P.A. | Deposit date: | 2003-04-30 | Release date: | 2003-05-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Flexible DNA bending in HU-DNA cocrystal structures Embo J., 22, 2003
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1P71
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![BU of 1p71 by Molmil](/molmil-images/mine/1p71) | Anabaena HU-DNA corcrystal structure (TR3) | Descriptor: | 5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*AP*CP*C)-3', DNA-binding protein HU | Authors: | Swinger, K.S, Lemberg, K.M, Zhang, Y, Rice, P.A. | Deposit date: | 2003-04-30 | Release date: | 2003-05-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Flexible DNA bending in HU-DNA cocrystal structures Embo J., 22, 2003
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4OQ6
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![BU of 4oq6 by Molmil](/molmil-images/mine/4oq6) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid | Descriptor: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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4IQ6
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![BU of 4iq6 by Molmil](/molmil-images/mine/4iq6) | Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine | Descriptor: | 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta | Authors: | Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D. | Deposit date: | 2013-01-10 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195. ACS Med Chem Lett, 4, 2013
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4OQ5
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![BU of 4oq5 by Molmil](/molmil-images/mine/4oq5) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid | Descriptor: | 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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6CEN
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![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
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1MSY
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![BU of 1msy by Molmil](/molmil-images/mine/1msy) | |