2PN3
| Crystal Structure of Hepatitis C Virus IRES Subdomain IIa | Descriptor: | 5'-R(*CP*GP*GP*AP*GP*GP*AP*AP*CP*UP*AP*CP*UP*GP*UP*CP*UP*UP*CP*AP*CP*GP*CP*C)-3', 5'-R(*GP*CP*GP*(5BU)P*GP*UP*CP*GP*UP*GP*CP*AP*GP*CP*CP*(5BU)P*CP*CP*GP*G)-3', MAGNESIUM ION | Authors: | Zhao, Q, Han, Q, Kissinger, C.R, Hermann, T, Thompson, P.A. | Deposit date: | 2007-04-23 | Release date: | 2008-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of hepatitis C virus IRES subdomain IIa. Acta Crystallogr.,Sect.D, 64, 2008
|
|
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
|
|
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
|
|
3BSA
| Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | Descriptor: | 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2007-12-23 | 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
|
|
1ENH
| STRUCTURAL STUDIES OF THE ENGRAILED HOMEODOMAIN | Descriptor: | ENGRAILED HOMEODOMAIN | Authors: | Clarke, N.D, Kissinger, C.R, Desjarlais, J, Gilliland, G.L, Pabo, C.O. | Deposit date: | 1994-05-20 | Release date: | 1994-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural studies of the engrailed homeodomain. Protein Sci., 3, 1994
|
|
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
|
|
1ZD4
| Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-hexanoic acid complex | Descriptor: | 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 2005-04-14 | Release date: | 2006-03-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids Protein Sci., 15, 2006
|
|
1ZD5
| Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-heptanoic acid complex | Descriptor: | 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 2005-04-14 | Release date: | 2006-03-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids Protein Sci., 15, 2006
|
|
1ZD2
| Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-ethanoic acid complex | Descriptor: | MAGNESIUM ION, N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE, PHOSPHATE ION, ... | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 2005-04-14 | Release date: | 2006-03-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids Protein Sci., 15, 2006
|
|
6CK5
| PRPP riboswitch from T. mathranii bound to PRPP | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BARIUM ION, MAGNESIUM ION, ... | Authors: | Knappenberger, A.J, Reiss, C.W, Strobel, S.A. | Deposit date: | 2018-02-27 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structures of two aptamers with differing ligand specificity reveal ruggedness in the functional landscape of RNA. Elife, 7, 2018
|
|
1ZD3
| Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-butyric acid complex | Descriptor: | 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 2005-04-14 | Release date: | 2006-03-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids Protein Sci., 15, 2006
|
|
1EK1
| CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CIU INHIBITOR | Descriptor: | EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | Authors: | Argiriadi, M.A, Morisseau, C, Goodrow, M.H, Dowdy, D.L, Hammock, B.D, Christianson, D.W. | Deposit date: | 2000-03-06 | Release date: | 2000-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation. J.Biol.Chem., 275, 2000
|
|
1EK2
| CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CDU INHIBITOR | Descriptor: | EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-DECYLUREA | Authors: | Argiriadi, M.A, Morisseau, C, Goodrow, M.H, Dowdy, D.L, Hammock, B.D, Christianson, D.W. | Deposit date: | 2000-03-06 | Release date: | 2000-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation. J.Biol.Chem., 275, 2000
|
|
1CR6
| CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CPU INHIBITOR | Descriptor: | EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-(PROPYL)PHENYL UREA | Authors: | Argiriadi, M.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 1999-08-13 | Release date: | 1999-11-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase. Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
3H2L
| Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor | Descriptor: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase | Authors: | Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R. | Deposit date: | 2009-04-14 | Release date: | 2009-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
|
|
6AUM
| Crystal structure of human soluble epoxide hydrolase complexed with trans-4-[4-(3-trifluoromethoxyphenyl-l-ureido)-cyclohexyloxy]-benzoic acid. | Descriptor: | 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid, Bifunctional epoxide hydrolase 2, CHLORIDE ION, ... | Authors: | Kodani, S.D, Bahkta, S, Hwang, S.H, Pakhomova, S, Newcomer, M.E, Morisseau, C, Hammock, B. | Deposit date: | 2017-09-01 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase. Bioorg. Med. Chem. Lett., 28, 2018
|
|
1TE1
| Crystal structure of family 11 xylanase in complex with inhibitor (XIP-I) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, endo-1,4-xylanase, ... | Authors: | Payan, F, Leone, P, Furniss, C, Tahir, T, Durand, A, Porciero, S, Manzanares, P, Williamson, G, Gilbert, H.J, Juge, N, Roussel, A. | Deposit date: | 2004-05-24 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Dual Nature of the Wheat Xylanase Protein Inhibitor XIP-I: STRUCTURAL BASIS FOR THE INHIBITION OF FAMILY 10 AND FAMILY 11 XYLANASES. J.Biol.Chem., 279, 2004
|
|
6GH0
| |
6FWH
| Acanthamoeba IGPD in complex with R-C348 to 1.7A resolution | Descriptor: | Imidazoleglycerol-phosphate dehydratase, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Roberts, C.W, Bisson, C, Baker, P.J. | Deposit date: | 2018-03-06 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural and functional studies of histidine biosynthesis in Acanthamoeba spp. demonstrates a novel molecular arrangement and target for antimicrobials. PLoS ONE, 13, 2018
|
|
1CQZ
| CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE. | Descriptor: | EPOXIDE HYDROLASE | Authors: | Argiriadi, M.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 1999-08-12 | Release date: | 1999-11-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase. Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
1TA3
| Crystal Structure of xylanase (GH10) in complex with inhibitor (XIP) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-1,4-beta-xylanase, ... | Authors: | Payan, F, Leone, P, Furniss, C, Tahir, T, Durand, A, Porciero, S, Manzanares, P, Williamson, G, Gilbert, H.J, Juge, N, Roussel, A. | Deposit date: | 2004-05-19 | Release date: | 2004-07-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Dual Nature of the Wheat Xylanase Protein Inhibitor XIP-I: STRUCTURAL BASIS FOR THE INHIBITION OF FAMILY 10 AND FAMILY 11 XYLANASES. J.Biol.Chem., 279, 2004
|
|
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
|
|
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
|
|
6GQ3
| Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-OXO-L-NORLEUCINE, ... | Authors: | Zhu, W, Radadiya, A, Bisson, C, Jin, Y, Nordin, B.E, Imasaki, T, Wenzel, S, Sedelnikova, S.E, Berry, A.H, Nomanbhoy, T.K, Kozarich, J.W, Takagi, Y, Rice, D.W, Richards, N.G.J. | Deposit date: | 2018-06-07 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity. Commun Biol, 2, 2019
|
|
6H8Y
| |