4JDI
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4JDH
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4JDJ
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4JDK
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4JCN
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3FDR
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![BU of 3fdr by Molmil](/molmil-images/mine/3fdr) | Crystal structure of TDRD2 | Descriptor: | Tudor and KH domain-containing protein | Authors: | Amaya, M.F, Adams, M.A, Guo, Y, Li, Y, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-11-26 | Release date: | 2009-01-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mouse Piwi interactome identifies binding mechanism of Tdrkh Tudor domain to arginine methylated Miwi Proc.Natl.Acad.Sci.USA, 106, 2009
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5DT2
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![BU of 5dt2 by Molmil](/molmil-images/mine/5dt2) | Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine] | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, ... | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | Deposit date: | 2015-09-17 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
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5DRY
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![BU of 5dry by Molmil](/molmil-images/mine/5dry) | Crystal structure of Dot1L in complex with inhibitor CPD3 [N-(1-(2-chlorophenyl)-1H-indol-6-yl)-2-(2-(5-(2-chlorophenyl)-1H-tetrazol-1-yl)acetyl)hydrazinecarboxamide] | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide, ... | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | Deposit date: | 2015-09-16 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
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5DSX
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![BU of 5dsx by Molmil](/molmil-images/mine/5dsx) | Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one] | Descriptor: | 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | Deposit date: | 2015-09-17 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
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5DRT
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![BU of 5drt by Molmil](/molmil-images/mine/5drt) | Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide] | Descriptor: | 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | Deposit date: | 2015-09-16 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
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7WNJ
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7W5I
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![BU of 7w5i by Molmil](/molmil-images/mine/7w5i) | The structure of trichobrasilenol synthase TaTC6 in complex with FPP-1 | Descriptor: | FARNESYL DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7W5J
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![BU of 7w5j by Molmil](/molmil-images/mine/7w5j) | The structure of trichobrasilenol synthase TaTC6 in complex with FPP-2 | Descriptor: | FARNESYL, FARNESYL DIPHOSPHATE, GLYCEROL, ... | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7W5H
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![BU of 7w5h by Molmil](/molmil-images/mine/7w5h) | The structure of trichobrasilenol synthase TaTC6 in complex with FsPP | Descriptor: | GLYCEROL, MAGNESIUM ION, MALONATE ION, ... | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7W5G
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![BU of 7w5g by Molmil](/molmil-images/mine/7w5g) | The apo structure of trichobrasilenol synthase TaTC6 with the space group of orthorhombic | Descriptor: | GLYCEROL, SULFATE ION, Terpene cyclase 6 | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7W5F
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![BU of 7w5f by Molmil](/molmil-images/mine/7w5f) | The apo structure of trichobrasilenol synthase TaTC6 with the space group of monoclinic | Descriptor: | MAGNESIUM ION, Terpene cyclase 6 | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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3JZI
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![BU of 3jzi by Molmil](/molmil-images/mine/3jzi) | Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazole series | Descriptor: | 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide, Biotin carboxylase | Authors: | Cheng, C, Shipps, G.W, Yang, Z, Sun, B, Kawahata, N, Soucy, K, Soriano, A, Orth, P, Xiao, L, Mann, P, Black, T. | Deposit date: | 2009-09-23 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery and optimization of antibacterial AccC inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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4NWK
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![BU of 4nwk by Molmil](/molmil-images/mine/4nwk) | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | Descriptor: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | Authors: | Muckelbauer, J.K, Klei, H.E. | Deposit date: | 2013-12-06 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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4WD5
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![BU of 4wd5 by Molmil](/molmil-images/mine/4wd5) | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide | Authors: | Yun, C.H, Eck, M.J. | Deposit date: | 2014-09-07 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 To Be Published
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4NRM
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4NRO
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4NRQ
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![BU of 4nrq by Molmil](/molmil-images/mine/4nrq) | Crystal structure of human ALKBH5 in complex with pyridine-2,4-dicarboxylate | Descriptor: | MANGANESE (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, RNA demethylase ALKBH5 | Authors: | Feng, C, Chen, Z, Liu, Y. | Deposit date: | 2013-11-27 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition J.Biol.Chem., 289, 2014
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4ZSE
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6E40
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![BU of 6e40 by Molmil](/molmil-images/mine/6e40) | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complexed with ferric heme and Epacadostat | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Luo, S, Tong, L. | Deposit date: | 2018-07-16 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.306 Å) | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E42
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![BU of 6e42 by Molmil](/molmil-images/mine/6e42) | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and 4-Chlorophenyl imidazole | Descriptor: | 4-(3-chlorophenyl)-1H-imidazole, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ... | Authors: | Luo, S, Tong, L. | Deposit date: | 2018-07-16 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form. Acta Crystallogr F Struct Biol Commun, 74, 2018
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