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4GG9
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BU of 4gg9 by Molmil
tRNA Guanine Transglycosylase in complex with thiophene-substituted lin-benzohypoxanthine inhibitor
Descriptor: 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Immekus, F, Klebe, G.
Deposit date:2012-08-06
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Two-armed benzopurine inhibitors of TGT
To be Published
6RNA
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BU of 6rna by Molmil
RIP2 Kinase Catalytic Domain complex with 2({4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl}oxy)ethan1ol
Descriptor: 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol, Receptor-interacting serine/threonine-protein kinase 2
Authors:Convery, M.A, Haile, P.A.
Deposit date:2019-05-08
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.
J.Med.Chem., 62, 2019
2ISO
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BU of 2iso by Molmil
Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-difluoromethylene triphosphate
Descriptor: 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
Deposit date:2006-10-18
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
2ISP
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BU of 2isp by Molmil
Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-methylene triphosphate
Descriptor: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
Deposit date:2006-10-18
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
2NCQ
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BU of 2ncq by Molmil
Structural insights of r(CGG) motif found in Fragile X Syndrome and Fragile-X associated tremor/ataxia syndrome (FXTAS) at 45 degree C
Descriptor: RNA_(5'-R(P*CP*CP*GP*CP*GP*GP*CP*GP*G)-3')
Authors:Kumar, A, Mishra, S.K.
Deposit date:2016-04-12
Release date:2017-04-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insights reveal the dynamics of the repeating r(CGG) motif found in Fragile X Syndrome and Fragile-X associated tremor/ataxia syndrome (FXTAS)
To be Published
4GH1
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BU of 4gh1 by Molmil
tRNA Guanine Transglycosylase in complex with morpholine substituted lin-benzohypoxanthine inhibitor
Descriptor: 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Immekus, F, Klebe, G.
Deposit date:2012-08-07
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Two-armed benzopurine inhibitors of TGT
To be Published
4GIY
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BU of 4giy by Molmil
tRNA Guanine Transglycosylase in complex with disubstituted lin-benzoguanine inhibitor
Descriptor: 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Immekus, F, Klebe, G.
Deposit date:2012-08-09
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Two-armed benzopurine inhibitors of TGT
To be Published
4GH3
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BU of 4gh3 by Molmil
tRNA Guanine Transglycosylase in complex with phenethyl substituted lin-benzohypoxanthine inhibitor
Descriptor: 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Immekus, F, Klebe, G.
Deposit date:2012-08-07
Release date:2013-09-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Two-armed benzopurine inhibitors of TGT
To be Published
4GKT
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BU of 4gkt by Molmil
tRNA Guanine Transglycosylase in complex with disubstituted lin-benzoguanine inhibitor
Descriptor: 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Immekus, F, Klebe, G.
Deposit date:2012-08-13
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Two-armed benzopurine inhibitors of TGT
To be Published
6ZBI
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BU of 6zbi by Molmil
Ternary complex of Calmodulin bound to 2 molecules of NHE1
Descriptor: CALCIUM ION, Calmodulin-1, Sodium/hydrogen exchanger 1
Authors:Prestel, A, Kragelund, B.B, Pedersen, E.S, Pedersen, S.F, Sjoegaard-Frich, L.M.
Deposit date:2020-06-08
Release date:2021-03-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dynamic Na + /H + exchanger 1 (NHE1) - calmodulin complexes of varying stoichiometry and structure regulate Ca 2+ -dependent NHE1 activation.
Elife, 10, 2021
6NTV
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BU of 6ntv by Molmil
SFTSV L endonuclease domain
Descriptor: RNA polymerase
Authors:Wang, W, Amarasinghe, G.K.
Deposit date:2019-01-30
Release date:2020-01-08
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target.
Cell Rep, 30, 2020
2M1O
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BU of 2m1o by Molmil
ID3 stem
Descriptor: RNA (5'-R(P*AP*GP*CP*AP*CP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*UP*GP*UP*A)-3')
Authors:Popovic, M, Greenbaum, N.L.
Deposit date:2012-12-03
Release date:2013-02-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:ID3 stem
To be Published
1TTY
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BU of 1tty by Molmil
Solution structure of sigma A region 4 from Thermotoga maritima
Descriptor: RNA polymerase sigma factor rpoD
Authors:Lambert, L.J, Wei, Y, Schirf, V, Demeler, B, Werner, M.H.
Deposit date:2004-06-23
Release date:2004-11-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:T4 AsiA blocks DNA recognition by remodeling sigma(70) region 4
Embo J., 23, 2004
2J92
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BU of 2j92 by Molmil
3C PROTEASE FROM TYPE A10(61) FOOT-AND-MOUTH DISEASE VIRUS - Crystal packing mutant (K51Q)
Descriptor: PICORNAIN 3C
Authors:Sweeney, T.R, Birtley, J.R, Leatherbarrow, R.J, Curry, S.
Deposit date:2006-11-01
Release date:2006-12-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Mutagenic Analysis of Foot-and-Mouth Disease Virus 3C Protease Reveals the Role of the {Beta}-Ribbon in Proteolysis.
J.Virol., 81, 2007
2HZS
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BU of 2hzs by Molmil
Structure of the Mediator head submodule Med8C/18/20
Descriptor: RNA polymerase II mediator complex subunit 18, RNA polymerase II mediator complex subunit 20, RNA polymerase II mediator complex subunit 8
Authors:Lariviere, L, Geiger, S, Hoeppner, S, Rother, S, Straesser, K, Cramer, P.
Deposit date:2006-08-09
Release date:2006-09-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and TBP binding of the Mediator head subcomplex Med8-Med18-Med20.
Nat.Struct.Mol.Biol., 13, 2006
7VGW
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BU of 7vgw by Molmil
Yeast gid10 with Pro-peptide
Descriptor: BJ4_G0041530.mRNA.1.CDS.1
Authors:Shin, J.S, Park, S.H, Kim, L, Heo, J, Song, H.K.
Deposit date:2021-09-19
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of yeast Gid10 in complex with Pro/N-degron.
Biochem.Biophys.Res.Commun., 582, 2021
2O3Y
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BU of 2o3y by Molmil
Crystal Structure of the Homo sapiens Cytoplasmic Ribosomal Decoding Site in Presence of Paromamine Derivative NB30
Descriptor: RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*AP*GP*UP*CP*GP*C)-3'), SPERMINE
Authors:Kondo, J, Hainrichson, M, Nudelman, I, Shallom-Shezifi, D, Baasov, T, Westhof, E.
Deposit date:2006-12-02
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Differential Selectivity of Natural and Synthetic Aminoglycosides towards the Eukaryotic and Prokaryotic Decoding A Sites.
Chembiochem, 8, 2007
4M6T
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BU of 4m6t by Molmil
Structure of human Paf1 and Leo1 complex
Descriptor: RNA polymerase II-associated factor 1 homolog, Linker, RNA polymerase-associated protein LEO1, ...
Authors:Shen, Y, Qin, X.
Deposit date:2013-08-11
Release date:2013-10-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structural insights into Paf1 complex assembly and histone binding
Nucleic Acids Res., 41, 2013
7NS3
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BU of 7ns3 by Molmil
Substrate receptor scaffolding module of yeast Chelator-GID SR4 E3 ubiquitin ligase bound to Fbp1 substrate
Descriptor: BJ4_G0018240.mRNA.1.CDS.1, Fructose-bisphosphatase, Glucose-induced degradation protein 8, ...
Authors:Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2021-07-07
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
1OR7
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BU of 1or7 by Molmil
Crystal Structure of Escherichia coli sigmaE with the Cytoplasmic Domain of its Anti-sigma RseA
Descriptor: RNA polymerase sigma-E factor, Sigma-E factor negative regulatory protein
Authors:Campbell, E.A, Tupy, J.L, Gruber, T.M, Wang, S, Sharp, M.M, Gross, C.A, Darst, S.A.
Deposit date:2003-03-12
Release date:2003-04-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Escherichia coli sigmaE with the cytoplasmic domain of its anti-sigma RseA.
Mol.Cell, 11, 2003
4GXY
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BU of 4gxy by Molmil
RNA structure
Descriptor: Adenosylcobalamin, Adenosylcobalamin riboswitch, IRIDIUM HEXAMMINE ION, ...
Authors:Serganov, A, Peselis, A.
Deposit date:2012-09-04
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural insights into ligand binding and gene expression control by an adenosylcobalamin riboswitch.
Nat.Struct.Mol.Biol., 19, 2012
2AHQ
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BU of 2ahq by Molmil
Solution Structure of the C-terminal RpoN Domain of Sigma-54 from Aquifex aeolicus
Descriptor: RNA polymerase sigma factor RpoN
Authors:Doucleff, M, Malak, L.T, Pelton, J.G, Wemmer, D.E.
Deposit date:2005-07-28
Release date:2005-10-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The C-terminal RpoN domain of sigma54 forms an unpredicted helix-turn-helix motif similar to domains of sigma70.
J.Biol.Chem., 280, 2005
1M9S
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BU of 1m9s by Molmil
Crystal structure of Internalin B (InlB), a Listeria monocytogenes virulence protein containing SH3-like domains.
Descriptor: Internalin B, SULFATE ION, TERBIUM(III) ION
Authors:Marino, M, Banerjee, M, Jonquieres, R, Cossart, P, Ghosh, P.
Deposit date:2002-07-29
Release date:2002-11-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:GW domains of the Listeria monocytogenes invasion protein InlB are SH3-like and mediate binding to host ligands
Embo J., 21, 2002
1EKA
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BU of 1eka by Molmil
NMR AND MOLECULAR MODELING REVEAL THAT DIFFERENT HYDROGEN BONDING PATTERNS ARE POSSIBLE FOR GU PAIRS: ONE HYDROGEN BOND FOR EACH GU PAIR IN R(GGCGUGCC)2 AND TWO FOR EACH GU PAIR IN R(GAGUGCUC)2
Descriptor: RNA (5'-R(*GP*AP*GP*UP*GP*CP*UP*C)-3')
Authors:Chen, X, McDowell, J.A, Kierzek, R, Krugh, T.R, Turner, D.H.
Deposit date:2000-03-07
Release date:2000-11-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance spectroscopy and molecular modeling reveal that different hydrogen bonding patterns are possible for G.U pairs: one hydrogen bond for each G.U pair in r(GGCGUGCC)(2) and two for each G.U pair in r(GAGUGCUC)(2).
Biochemistry, 39, 2000
4YGW
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BU of 4ygw by Molmil
RNase S in complex with stabilized S peptide
Descriptor: 1-hydroxypropan-2-one, Ribonuclease A C2, S-peptide: ACE-LYS-GLU-THR-ALA-ALA-HCS-LYS-PHE-GLU-HCS-GLN-HIS-MET-ASP-SER, ...
Authors:Assem, N, Ferreira, D, Wolan, D.W, Dawson, P.E.
Deposit date:2015-02-26
Release date:2015-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Acetone-Linked Peptides: A Convergent Approach for Peptide Macrocyclization and Labeling.
Angew.Chem.Int.Ed.Engl., 54, 2015

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