3GYN
 
 | | Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor | | Descriptor: | N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2009-04-04 | | Release date: | 2009-12-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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3IGV
 | | Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor | | Descriptor: | N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2009-07-28 | | Release date: | 2009-12-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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3CDE
 | | Crystal structure of HCV NS5B polymerase with a novel Pyridazinone inhibitor | | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2008-02-26 | | Release date: | 2009-03-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments.
Bioorg.Med.Chem.Lett., 18, 2008
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2A04
 | | Molecular Recognition of RNA by Neomycin and a Restricted Neomycin Derivative | | Descriptor: | 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*AP*CP*C)-3', 5'-R(*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*GP*G)-3', MAGNESIUM ION, ... | | Authors: | Zhao, Q, Zhao, F, Blount, K.F, Han, Q, Tor, Y, Hermann, T. | | Deposit date: | 2005-06-15 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Molecular recognition of RNA by neomycin and a restricted neomycin derivative
Angew.Chem.Int.Ed.Engl., 44, 2005
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1ZX7
 | | Molecular Recognition of RNA by Neomycin and a Restricted Neomycin Derivative | | Descriptor: | 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*AP*CP*C)-3', 5'-R(*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*GP*G)-3' | | Authors: | Zhao, Q, Zhao, F, Blount, K.F, Han, Q, Tor, Y, Hermann, T. | | Deposit date: | 2005-06-07 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular recognition of RNA by neomycin and a restricted neomycin derivative
Angew.Chem.Int.Ed.Engl., 44, 2005
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1ZZ5
 | | Molecular Recognition of RNA by Neomycin and a Restricted Neomycin Derivative | | Descriptor: | 13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-TETRAHYDROXYHEXADECAHYDRO-2H-7,10-EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*AP*CP*C)-3', 5'-R(*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*GP*G)-3', ... | | Authors: | Zhao, Q, Zhao, F, Blount, K.F, Han, Q, Tor, Y, Hermann, T. | | Deposit date: | 2005-06-13 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular recognition of RNA by neomycin and a restricted neomycin derivative
Angew.Chem.Int.Ed.Engl., 44, 2005
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3D5M
 | | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | | Descriptor: | N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2008-05-16 | | Release date: | 2009-05-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 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
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3BR9
 | | Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | | Descriptor: | (2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2007-12-21 | | Release date: | 2008-12-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
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3BSC
 | | Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | | Descriptor: | 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2007-12-23 | | Release date: | 2008-12-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
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3CVK
 | | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | | Descriptor: | N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2008-04-18 | | Release date: | 2009-04-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
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4REB
 | | Structural Insights into 5' Flap DNA Unwinding and Incision by the Human FAN1 Dimer | | Descriptor: | DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), ... | | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | | Deposit date: | 2014-09-22 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
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4REC
 | | A nuclease-DNA complex form 3 | | Descriptor: | DNA (40-MER), Fanconi-associated nuclease 1, IODIDE ION | | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | | Deposit date: | 2014-09-22 | | Release date: | 2014-12-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
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4REA
 | | A Nuclease DNA complex | | Descriptor: | DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), ... | | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | | Deposit date: | 2014-09-22 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.81 Å) | | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
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3D23
 | | Main protease of HCoV-HKU1 | | 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: | Zhao, Q, Chen, C, Li, S, Zou, Y. | | Deposit date: | 2008-05-07 | | Release date: | 2008-09-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the main protease from a global infectious human coronavirus, HCoV-HKU1.
J.Virol., 82, 2008
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4Z7F
 | | Crystal structure of FolT bound with folic acid | | Descriptor: | FOLIC ACID, Folate ECF transporter | | Authors: | Zhao, Q, Wang, C.C, Wang, C.Y, Zhang, P. | | Deposit date: | 2015-04-07 | | Release date: | 2015-07-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.194 Å) | | Cite: | Structures of FolT in substrate-bound and substrate-released conformations reveal a gating mechanism for ECF transporters
Nat Commun, 6, 2015
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4NE1
 | | Human MHF1 MHF2 DNA complexes | | Descriptor: | Centromere protein S, Centromere protein X, DNA (26-MER) | | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | | Deposit date: | 2013-10-28 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (6.499 Å) | | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
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4NDY
 | | Human MHF1-MHF2 DNA complex | | Descriptor: | Centromere protein S, Centromere protein X, DNA (26-MER) | | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | | Deposit date: | 2013-10-28 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (6.999 Å) | | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
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1JXC
 | | Minimized NMR structure of ATT, an Arabidopsis trypsin/chymotrypsin inhibitor | | Descriptor: | Putative trypsin inhibitor ATTI-2 | | Authors: | Zhao, Q, Chae, Y.K, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2001-09-06 | | Release date: | 2003-01-07 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of ATTp, an Arabidopsis thaliana Trypsin Inhibitor
Biochemistry, 41, 2002
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4NE6
 | | Human MHF1-MHF2 complex | | Descriptor: | Centromere protein S, Centromere protein X | | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | | Deposit date: | 2013-10-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1001 Å) | | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
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4NE5
 | | Human MHF1-MHF2 complex | | Descriptor: | Centromere protein S, Centromere protein X | | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | | Deposit date: | 2013-10-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
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4NE3
 | | Human MHF1-MHF2 complex | | Descriptor: | Centromere protein S, Centromere protein X | | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | | Deposit date: | 2013-10-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8007 Å) | | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
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4A4R
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GMP*GP*AP*CP*CP*CP*GP*GP*CP*UP*AP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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4A4T
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*UP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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4A4S
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*CP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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4A4U
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*GP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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