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6FKE
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BU of 6fke by Molmil
Structure of 3' phosphatase NExo (D146N) from Neisseria bound to product DNA hairpin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*A)-3'), Exodeoxyribonuclease III, ...
Authors:Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S.
Deposit date:2018-01-23
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis.
Nucleic Acids Res., 46, 2018
6FK4
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BU of 6fk4 by Molmil
Structure of 3' phosphatase NExo (WT) from Neisseria bound to DNA substrate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*GP*CP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*AP*GP*A)-3'), Exodeoxyribonuclease III
Authors:Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S.
Deposit date:2018-01-23
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis.
Nucleic Acids Res., 46, 2018
1LRR
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BU of 1lrr by Molmil
CRYSTAL STRUCTURE OF E. COLI SEQA COMPLEXED WITH HEMIMETHYLATED DNA
Descriptor: 5'-D(*AP*GP*TP*CP*GP*(6MA)P*TP*CP*GP*GP*TP*G)-3', 5'-D(*CP*AP*CP*CP*GP*AP*TP*CP*GP*AP*CP*T)-3', SeqA protein
Authors:Guarne, A, Zhao, Q, Guirlando, R, Yang, W.
Deposit date:2002-05-15
Release date:2002-12-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Insights into negative modulation of E. coli replication initiation from the structure of SeqA-hemimethylated DNA complex
NAT.STRUCT.BIOL., 9, 2002
3D28
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BU of 3d28 by Molmil
Crystal structure of hcv ns5b polymerase with a novel benzisothiazole inhibitor
Descriptor: (5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase
Authors:Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
Deposit date:2008-05-07
Release date:2009-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
1T0D
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BU of 1t0d by Molmil
Crystal Structure of 2-aminopurine labelled bacterial decoding site RNA
Descriptor: 5'-R(*CP*AP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*AP*CP*CP*C)-3', 5'-R(*GP*GP*UP*GP*GP*UP*GP*(MTU)P*AP*GP*UP*CP*GP*CP*UP*GP*G)-3'
Authors:Shandrick, S, Zhao, Q, Han, Q, Ayida, B.K, Takahashi, M, Winters, G.C, Simonsen, K.B, Vourloumis, D, Hermann, T.
Deposit date:2004-04-08
Release date:2004-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Monitoring molecular recognition of the ribosomal decoding site.
Angew.Chem.Int.Ed.Engl., 43, 2004
1T0E
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BU of 1t0e by Molmil
Crystal Structure of 2-aminopurine labelled bacterial decoding site RNA
Descriptor: 5'-R(*CP*GP*AP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*AP*CP*CP*C)-3', 5'-R(*GP*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*UP*CP*GP*G)-3', SULFATE ION
Authors:Shandrick, S, Zhao, Q, Han, Q, Ayida, B.K, Takahashi, M, Winters, G.C, Simonsen, K.B, Vourloumis, D, Hermann, T.
Deposit date:2004-04-08
Release date:2004-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Monitoring molecular recognition of the ribosomal decoding site.
Angew.Chem.Int.Ed.Engl., 43, 2004
1DSZ
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BU of 1dsz by Molmil
STRUCTURE OF THE RXR/RAR DNA-BINDING DOMAIN HETERODIMER IN COMPLEX WITH THE RETINOIC ACID RESPONSE ELEMENT DR1
Descriptor: DNA (5'-D(*CP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*G)-3'), RETINOIC ACID RECEPTOR ALPHA, ...
Authors:Rastinejad, F, Wagner, T, Zhao, Q, Khorasanizadeh, S.
Deposit date:2000-01-10
Release date:2000-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the RXR-RAR DNA-binding complex on the retinoic acid response element DR1.
EMBO J., 19, 2000
4XNW
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BU of 4xnw by Molmil
The human P2Y1 receptor in complex with MRS2500
Descriptor: P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
Authors:Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
Deposit date:2015-01-16
Release date:2015-04-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
4XNV
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BU of 4xnv by Molmil
The human P2Y1 receptor in complex with BPTU
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ...
Authors:Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
Deposit date:2015-01-16
Release date:2015-04-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
3JAC
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BU of 3jac by Molmil
Cryo-EM study of a channel
Descriptor: Piezo-type mechanosensitive ion channel component 1
Authors:Ge, J, Li, W, Zhao, Q, Li, N, Xiao, B, Gao, N, Yang, M.
Deposit date:2015-06-05
Release date:2015-09-23
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Architecture of the mammalian mechanosensitive Piezo1 channel
Nature, 527, 2015
6LW5
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BU of 6lw5 by Molmil
Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm
Descriptor: CHOLESTEROL, Soluble cytochrome b562,N-formyl peptide receptor 2, TRP-LYS-TYR-MET-VAL-QXV
Authors:Chen, T, Zong, X, Zhang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2020-02-07
Release date:2020-03-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand binding modes at the human formyl peptide receptor 2.
Nat Commun, 11, 2020
4N9D
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BU of 4n9d by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9E
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BU of 4n9e by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9C
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BU of 4n9c by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
2D45
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BU of 2d45 by Molmil
Crystal structure of the MecI-mecA repressor-operator complex
Descriptor: 5'-D(P*TP*AP*CP*TP*AP*CP*AP*TP*AP*TP*GP*TP*AP*GP*TP*A)-3', Methicillin resistance regulatory protein mecI
Authors:Safo, M.K, Ko, T.-P, Musayev, F.N, Zhao, Q, Wang, A.H.-J, Archer, G.L.
Deposit date:2005-10-09
Release date:2005-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of the MecI repressor from Staphylococcus aureus in complex with the cognate DNA operator of mec.
Acta Crystallogr.,Sect.F, 62, 2006
3EWQ
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BU of 3ewq by Molmil
HCov-229E Nsp3 ADRP domain
Descriptor: Non-structural protein 3
Authors:Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z.
Deposit date:2008-10-16
Release date:2009-01-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain.
J.Virol., 83, 2009
3EWR
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BU of 3ewr by Molmil
complex of substrate ADP-ribose with HCoV-229E Nsp3 ADRP domain
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z.
Deposit date:2008-10-16
Release date:2009-01-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain.
J.Virol., 83, 2009
3EWO
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BU of 3ewo by Molmil
IBV Nsp3 ADRP domain
Descriptor: Non-structural protein 3
Authors:Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z.
Deposit date:2008-10-16
Release date:2009-01-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain.
J.Virol., 83, 2009
2AMP
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BU of 2amp by Molmil
Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-10
Release date:2005-09-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
3EWP
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BU of 3ewp by Molmil
complex of substrate ADP-ribose with IBV Nsp3 ADRP domain
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z.
Deposit date:2008-10-16
Release date:2009-01-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain.
J.Virol., 83, 2009
2AMD
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BU of 2amd by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9
Descriptor: 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-09
Release date:2005-09-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMQ
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BU of 2amq by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-10
Release date:2005-09-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
1TIZ
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BU of 1tiz by Molmil
Solution Structure of a Calmodulin-Like Calcium-Binding Domain from Arabidopsis thaliana
Descriptor: calmodulin-related protein, putative
Authors:Song, J, Zhao, Q, Thao, S, Frederick, R.O, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2004-06-02
Release date:2004-08-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Letter to the Editor: Solution structure of a calmodulin-like calcium-binding domain from Arabidopsis thaliana
J.Biomol.NMR, 30, 2004
1SD4
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BU of 1sd4 by Molmil
Crystal Structure of a SeMet derivative of BlaI at 2.0 A
Descriptor: PENICILLINASE REPRESSOR, SULFATE ION
Authors:Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L.
Deposit date:2004-02-13
Release date:2004-08-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the BlaI repressor from Staphylococcus aureus and its complex with DNA: insights into transcriptional regulation of the bla and mec operons
J.Bacteriol., 187, 2005
6VX7
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BU of 6vx7 by Molmil
bestrophin-2 Ca2+-bound state (5 mM Ca2+)
Descriptor: Bestrophin, CALCIUM ION, CHLORIDE ION
Authors:Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T.
Deposit date:2020-02-21
Release date:2020-04-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.36 Å)
Cite:Structural and functional characterization of the bestrophin-2 anion channel.
Nat.Struct.Mol.Biol., 27, 2020

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