7D54
 
 | | Crstal structure MsGATase with Gln | | Descriptor: | GLUTAMINE, Glutamine amidotransferase class-I | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7D4R
 | | SpuA native structure | | Descriptor: | MAGNESIUM ION, Probable glutamine amidotransferase | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7D53
 | | SpuA mutant - H221N with Glu | | Descriptor: | GLUTAMIC ACID, MAGNESIUM ION, Probable glutamine amidotransferase | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7D50
 | | SpuA mutant - H221N with glutamyl-thioester | | Descriptor: | MAGNESIUM ION, Probable glutamine amidotransferase | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7D9F
 | | SpdH Spermidine dehydrogenase SeMet Structure | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Che, S, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-10-13 | | Release date: | 2021-11-17 | | Last modified: | 2022-04-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold.
Febs J., 289, 2022
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7D9J
 | | SpdH Spermidine dehydrogenase Y443A mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Che, S, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-10-13 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold.
Febs J., 289, 2022
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7D9I
 | | SpdH Spermidine dehydrogenase D282A mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PROTOPORPHYRIN IX CONTAINING FE, Spermidine dehydrogenase, ... | | Authors: | Che, S, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-10-13 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold.
Febs J., 289, 2022
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7D9H
 | | SpdH Spermidine dehydrogenase N33 truncation structure | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Che, S, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-10-13 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold.
Febs J., 289, 2022
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7D9G
 | | SpdH Spermidine dehydrogenase native structure | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PROTOPORPHYRIN IX CONTAINING FE, Spermidine dehydrogenase, ... | | Authors: | Che, S, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-10-13 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold.
Febs J., 289, 2022
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1OT7
 | | Structural Basis for 3-deoxy-CDCA Binding and Activation of FXR | | Descriptor: | 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile Acid Receptor, ISO-URSODEOXYCHOLIC ACID, ... | | Authors: | Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2003-03-21 | | Release date: | 2004-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR
Mol.Cell, 11, 2003
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1OSV
 | | STRUCTURAL BASIS FOR BILE ACID BINDING AND ACTIVATION OF THE NUCLEAR RECEPTOR FXR | | Descriptor: | 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile acid receptor, Nuclear receptor coactivator 2 | | Authors: | Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2003-03-20 | | Release date: | 2004-03-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR
Mol.Cell, 11, 2003
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6DNY
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3PDX
 | | Crystal structural of mouse tyrosine aminotransferase | | Descriptor: | Tyrosine aminotransferase | | Authors: | Mehere, P.V, Han, Q, Lemkul, J.A, Robinson, H, Bevan, D.R, Li, J. | | Deposit date: | 2010-10-25 | | Release date: | 2010-11-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations.
Protein Cell, 1, 2010
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1PFF
 | | Crystal Structure of Homocysteine alpha-, gamma-lyase at 1.8 Angstroms | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, methionine gamma-lyase | | Authors: | Allen, T.W, Sridhar, V, Prasad, S.G, Han, Q, Xu, M, Tan, Y, Hoffman, R.M, Ramaswamy, S. | | Deposit date: | 2003-05-26 | | Release date: | 2004-08-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: |
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1PG8
 | | Crystal Structure of L-methionine alpha-, gamma-lyase | | Descriptor: | DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Allen, T.W, Sridhar, V, Prasad, G.S, Han, Q, Xu, M, Tan, Y, Hoffman, R.M, Ramaswamy, S. | | Deposit date: | 2003-05-28 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: |
To Be Published
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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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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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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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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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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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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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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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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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