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3MWV
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BU of 3mwv by Molmil
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
5FUR
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BU of 5fur by Molmil
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
8VQ2
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BU of 8vq2 by Molmil
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
8QU8
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BU of 8qu8 by Molmil
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
3MI9
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BU of 3mi9 by Molmil
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
7KJX
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BU of 7kjx by Molmil
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
7KJV
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BU of 7kjv by Molmil
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
4X8K
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BU of 4x8k by Molmil
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
8PYR
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BU of 8pyr by Molmil
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
8ARK
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BU of 8ark by Molmil
Crystal structure of DEAD-box protein Dbp2 in apo form
Descriptor: ATP-dependent RNA helicase DBP2
Authors:Rety, S, Xi, X.G.
Deposit date:2022-08-17
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Nonstructural N- and C-tails of Dbp2 confer the protein full helicase activities.
J.Biol.Chem., 299, 2023
8ARP
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BU of 8arp by Molmil
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
8R0S
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BU of 8r0s by Molmil
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
7KJW
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BU of 7kjw by Molmil
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
8QDJ
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BU of 8qdj by Molmil
Ntaya virus methyltransferase in complex wih Sinefungin
Descriptor: Ntaya virus methyltransferase, SINEFUNGIN, SULFATE ION
Authors:Krejcova, K, Boura, E, Klima, M.
Deposit date:2023-08-29
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional insights in flavivirus NS5 proteins gained by the structure of Ntaya virus polymerase and methyltransferase.
Structure, 32, 2024
2DR8
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BU of 2dr8 by Molmil
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
2DR9
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BU of 2dr9 by Molmil
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
5NZZ
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BU of 5nzz by Molmil
Crystal structure of phosphorylated p38aMAPK in complex with TAB1
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 14, NICKEL (II) ION, ...
Authors:Nichols, C.E, De Nicola, G.F.
Deposit date:2017-05-15
Release date:2018-05-30
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The TAB1-p38 alpha complex aggravates myocardial injury and can be targeted by small molecules.
JCI Insight, 3, 2018
2DRA
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BU of 2dra by Molmil
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
2DRB
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BU of 2drb by Molmil
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
2DR7
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BU of 2dr7 by Molmil
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
3LP0
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BU of 3lp0 by Molmil
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
5N65
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BU of 5n65 by Molmil
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
5N64
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BU of 5n64 by Molmil
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
5N66
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BU of 5n66 by Molmil
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
5TFR
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BU of 5tfr by Molmil
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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