8K8L
 
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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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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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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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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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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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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: | 2024-04-03 | | 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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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: | 2024-04-03 | | 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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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: | 2024-04-03 | | 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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5K9I
 | | Crystal structure of c-SRC in complex with a covalent lysine probe | | Descriptor: | 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Wan, X, Ouyang, S, Zhao, Q, Taunton, J. | | Deposit date: | 2016-05-31 | | Release date: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes.
J. Am. Chem. Soc., 139, 2017
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8W22
 | | Umb1 umbrella toxin particle (local refinement of UmbB1 bound ALF of UmbC1 and UmbA1) | | Descriptor: | Intein C-terminal splicing domain-containing protein, Secreted esterase, Secreted protein | | Authors: | Park, Y.J, Zhao, Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), DiMaio, F, Mougous, J.D, Veesler, D. | | Deposit date: | 2024-02-19 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Streptomyces umbrella toxin particles block hyphal growth of competing species.
Nature, 629, 2024
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8W20
 | | Umb1 umbrella toxin particle | | Descriptor: | Intein C-terminal splicing domain-containing protein, Secreted esterase, Secreted protein | | Authors: | Park, Y.J, Zhao, Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), DiMaio, F, Mougous, J.D, Veesler, D. | | Deposit date: | 2024-02-19 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Streptomyces umbrella toxin particles block hyphal growth of competing species.
Nature, 629, 2024
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1T0D
 | | 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
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1T0E
 | | 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
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6VX8
 | | bestrophin-2 Ca2+- unbound state 2 (EGTA only) | | Descriptor: | Bestrophin, 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 (2.33 Å) | | Cite: | Structural and functional characterization of the bestrophin-2 anion channel.
Nat.Struct.Mol.Biol., 27, 2020
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6VX9
 | | bestrophin-2 Ca2+- unbound state 1 (EGTA only) | | Descriptor: | Bestrophin, 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 (2.17 Å) | | Cite: | Structural and functional characterization of the bestrophin-2 anion channel.
Nat.Struct.Mol.Biol., 27, 2020
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6VX6
 | | bestrophin-2 Ca2+-bound state (250 nM 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 (3 Å) | | Cite: | Structural and functional characterization of the bestrophin-2 anion channel.
Nat.Struct.Mol.Biol., 27, 2020
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6VX5
 | | bestrophin-2 Ca2+- unbound state (250 nM Ca2+) | | Descriptor: | Bestrophin, 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 (3.03 Å) | | Cite: | Structural and functional characterization of the bestrophin-2 anion channel.
Nat.Struct.Mol.Biol., 27, 2020
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1HLZ
 | | CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT | | Descriptor: | 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ... | | Authors: | Sierk, M.L, Zhao, Q, Rastinejad, F. | | Deposit date: | 2000-12-04 | | Release date: | 2001-11-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | DNA Deformability as a Recognition Feature in the RevErb Response Element
Biochemistry, 40, 2001
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1GA5
 | | CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT | | Descriptor: | 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*(5IT)P*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ... | | Authors: | Sierk, M.L, Zhao, Q, Rastinejad, F. | | Deposit date: | 2000-11-29 | | Release date: | 2001-11-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | DNA Deformability as a Recognition Feature in the RevErb Response Element
Biochemistry, 40, 2001
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3EWP
 | | 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
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3EWQ
 | | 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
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3EWR
 | | 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
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