3MWV
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![BU of 3mwv by Molmil](/molmil-images/mine/3mwv) | Crystal structure of HCV NS5B polymerase | Descriptor: | Genome polyprotein | Authors: | Coulombe, R. | Deposit date: | 2010-05-06 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B. J.Am.Chem.Soc., 132, 2010
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5FUR
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![BU of 5fur by Molmil](/molmil-images/mine/5fur) | Structure of human TFIID-IIA bound to core promoter DNA | Descriptor: | SUPER CORE PROMOTER, TATA-BOX-BINDING PROTEIN, TRANSCRIPTION INITIATION FACTOR IIA SUBUNIT 1, ... | Authors: | Louder, R.K, He, Y, Lopez-Blanco, J.R, Fang, J, Chacon, P, Nogales, E. | Deposit date: | 2016-01-29 | Release date: | 2016-04-06 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | Structure of Promoter-Bound TFIID and Model of Human Pre-Initiation Complex Assembly. Nature, 531, 2016
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8VQ2
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![BU of 8vq2 by Molmil](/molmil-images/mine/8vq2) | HSV1 polymerase ternary complex with dsDNA and compound 44 | Descriptor: | 2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide, DNA (5'-D(P*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*T)-3'), ... | Authors: | Hayes, R.P, Heo, M.R, Plotkin, M. | Deposit date: | 2024-01-17 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (3.829 Å) | Cite: | Discovery of Broad-Spectrum Herpes Antiviral Oxazolidinone Amide Derivatives and Their Structure-Activity Relationships. Acs Med.Chem.Lett., 15, 2024
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8QU8
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![BU of 8qu8 by Molmil](/molmil-images/mine/8qu8) | PROTAC-mediated complex of KRAS with VHL/Elongin-B/Elongin-C/Cullin-2/Rbx1 | Descriptor: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | Authors: | Fischer, G, Peter, D, Arce-Solano, S. | Deposit date: | 2023-10-14 | Release date: | 2023-12-06 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
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3MI9
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![BU of 3mi9 by Molmil](/molmil-images/mine/3mi9) | Crystal structure of HIV-1 Tat complexed with human P-TEFb | Descriptor: | Cell division protein kinase 9, Cyclin-T1, Protein Tat, ... | Authors: | Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H. | Deposit date: | 2010-04-09 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of HIV-1 Tat complexed with human P-TEFb. Nature, 465, 2010
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7KJX
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![BU of 7kjx by Molmil](/molmil-images/mine/7kjx) | Structure of HIV-1 reverse transcriptase initiation complex core with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ... | Authors: | Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-10-26 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
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7KJV
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![BU of 7kjv by Molmil](/molmil-images/mine/7kjv) | Structure of HIV-1 reverse transcriptase initiation complex core | Descriptor: | HIV-1 viral RNA fragment, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-10-26 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
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4X8K
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![BU of 4x8k by Molmil](/molmil-images/mine/4x8k) | Mycobacterium tuberculosis RbpA-SID in complex with SigmaA domain 2 | Descriptor: | 1,2-ETHANEDIOL, RNA polymerase sigma factor SigA, RNA polymerase-binding protein RbpA, ... | Authors: | Hubin, E.A, Flack, J.E, Tabib-Salazar, A, Paget, M.S, Darst, S.A, Campbell, E.A. | Deposit date: | 2014-12-10 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Structural, functional, and genetic analyses of the actinobacterial transcription factor RbpA. Proc.Natl.Acad.Sci.USA, 112, 2015
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8PYR
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![BU of 8pyr by Molmil](/molmil-images/mine/8pyr) | Crystal structure of the dual T-loop phosphorylated Cdk7/CycH/Mat1 complex | Descriptor: | 1,2-ETHANEDIOL, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Anand, K, Duster, R, Geyer, M. | Deposit date: | 2023-07-26 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis of Cdk7 activation by dual T-loop phosphorylation. Biorxiv, 2024
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8ARK
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![BU of 8ark by Molmil](/molmil-images/mine/8ark) | |
8ARP
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![BU of 8arp by Molmil](/molmil-images/mine/8arp) | Crystal structure of DEAD-box protein Dbp2 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DBP2, MAGNESIUM ION, ... | Authors: | Song, Q.X, Rety, S, Xi, X.G. | Deposit date: | 2022-08-17 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Nonstructural N- and C-tails of Dbp2 confer the protein full helicase activities. J.Biol.Chem., 299, 2023
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8R0S
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![BU of 8r0s by Molmil](/molmil-images/mine/8r0s) | Structure of reverse transcriptase from Cauliflower Mosaic Virus in complex with RNA/DNA hybrid | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*CP*GP*CP*AP*CP*TP*GP*CP*TP*GP*GP*A)-3'), Enzymatic polyprotein, RNA (5'-R(*GP*UP*CP*CP*AP*GP*CP*AP*GP*UP*GP*CP*GP*UP*AP*GP*C)-3') | Authors: | Prabaharan, C, Figiel, M, Chamera, S, Szczepanowski, R, Nowak, E, Nowotny, M. | Deposit date: | 2023-10-31 | Release date: | 2024-07-24 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and biochemical characterization of cauliflower mosaic virus reverse transcriptase. J.Biol.Chem., 300, 2024
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7KJW
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![BU of 7kjw by Molmil](/molmil-images/mine/7kjw) | Structure of HIV-1 reverse transcriptase initiation complex core with efavirenz | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ... | Authors: | Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-10-26 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
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8QDJ
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![BU of 8qdj by Molmil](/molmil-images/mine/8qdj) | |
2DR8
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![BU of 2dr8 by Molmil](/molmil-images/mine/2dr8) | Complex structure of CCA-adding enzyme with tRNAminiDC and CTP | Descriptor: | CCA-adding enzyme, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tomita, K, Ishitani, R, Fukai, S, Nureki, O. | Deposit date: | 2006-06-08 | Release date: | 2006-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Complete crystallographic analysis of the dynamics of CCA sequence addition Nature, 443, 2006
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2DR9
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![BU of 2dr9 by Molmil](/molmil-images/mine/2dr9) | Complex structure of CCA-adding enzyme with tRNAminiDCC | Descriptor: | CCA-adding enzyme, SULFATE ION, tRNA (34-MER) | Authors: | Tomita, K, Ishitani, R, Fukai, S, Nureki, O. | Deposit date: | 2006-06-08 | Release date: | 2006-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Complete crystallographic analysis of the dynamics of CCA sequence addition Nature, 443, 2006
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5NZZ
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![BU of 5nzz by Molmil](/molmil-images/mine/5nzz) | |
2DRA
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![BU of 2dra by Molmil](/molmil-images/mine/2dra) | Complex structure of CCA-adding enzyme with tRNAminiDCC and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CCA-adding enzyme, MAGNESIUM ION, ... | Authors: | Tomita, K, Ishitani, R, Fukai, S, Nureki, O. | Deposit date: | 2006-06-08 | Release date: | 2006-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Complete crystallographic analysis of the dynamics of CCA sequence addition Nature, 443, 2006
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2DRB
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![BU of 2drb by Molmil](/molmil-images/mine/2drb) | Complex structure of CCA-adding enzyme with tRNAminiCCA | Descriptor: | CCA-adding enzyme, SULFATE ION, tRNA (35-MER) | Authors: | Tomita, K, Ishitani, R, Fukai, S, Nureki, O. | Deposit date: | 2006-06-08 | Release date: | 2006-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Complete crystallographic analysis of the dynamics of CCA sequence addition Nature, 443, 2006
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2DR7
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![BU of 2dr7 by Molmil](/molmil-images/mine/2dr7) | Complex structure of CCA-adding enzyme with tRNAminiDC | Descriptor: | CCA-adding enzyme, SULFATE ION, tRNA (33-MER) | Authors: | Tomita, K, Ishitani, R, Fukai, S, Nureki, O. | Deposit date: | 2006-06-08 | Release date: | 2006-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Complete crystallographic analysis of the dynamics of CCA sequence addition Nature, 443, 2006
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3LP0
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![BU of 3lp0 by Molmil](/molmil-images/mine/3lp0) | HIV-1 reverse transcriptase with inhibitor | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P. | Deposit date: | 2010-02-04 | Release date: | 2010-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors. J.Virol., 84, 2010
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5N65
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![BU of 5n65 by Molmil](/molmil-images/mine/5n65) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9h | Descriptor: | 2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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5N64
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![BU of 5n64 by Molmil](/molmil-images/mine/5n64) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9g | Descriptor: | 2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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5N66
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![BU of 5n66 by Molmil](/molmil-images/mine/5n66) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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5TFR
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![BU of 5tfr by Molmil](/molmil-images/mine/5tfr) | Crystal structure of Zika Virus NS5 protein | Descriptor: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | Authors: | Longenecker, K.L, Upadhyay, A.K. | Deposit date: | 2016-09-26 | Release date: | 2016-10-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of full-length Zika virus NS5 protein reveals a conformation similar to Japanese encephalitis virus NS5. Acta Crystallogr F Struct Biol Commun, 73, 2017
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