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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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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1W7L
| Crystal structure of human kynurenine aminotransferase I | Descriptor: | KYNURENINE--OXOGLUTARATE TRANSAMINASE I, PYRIDOXAL-5'-PHOSPHATE | Authors: | Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M. | Deposit date: | 2004-09-06 | Release date: | 2004-09-08 | Last modified: | 2015-12-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Kynurenine Aminotransferase I J.Biol.Chem., 279, 2004
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1W7N
| Crystal structure of human kynurenine aminotransferase I in PMP form | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, KYNURENINE--OXOGLUTARATE TRANSAMINASE I | Authors: | Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M. | Deposit date: | 2004-09-06 | Release date: | 2004-09-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Human Kynurenine Aminotransferase I J.Biol.Chem., 279, 2004
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1W7M
| Crystal structure of human kynurenine aminotransferase I in complex with L-Phe | Descriptor: | KYNURENINE--OXOGLUTARATE TRANSAMINASE I, PHENYLALANINE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M. | Deposit date: | 2004-09-06 | Release date: | 2004-09-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Human Kynurenine Aminotransferase I J.Biol.Chem., 279, 2004
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6JRL
| Crystal structure of Drosophila alpha methyldopa-resistant protein/3,4-dihydroxyphenylacetaldehyde synthase | Descriptor: | 3,4-dihydroxyphenylacetaldehyde synthase | Authors: | Wei, S, Vavrick, C.J, Guan, H, Liao, C, Robinson, H, Liang, J, Wang, D, Han, Q, Li, J. | Deposit date: | 2019-04-04 | Release date: | 2019-04-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the bifunctional mechanism of Drosophila alpha methyldopa-resistant protein/3,4-dihydroxyphenylacetaldehyde synthase To Be Published
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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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8JI8
| Crystal Structure of Prophenoloxidase PPO6 chimeric mutant (F215EASNRAIVD224 to G215DGPDSVVR223) from Aedes aegypti | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, ... | Authors: | Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q. | Deposit date: | 2023-05-26 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mosquitoes have evolved two types of prophenoloxidases To Be Published
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8JIB
| Crystal Structure of Prophenoloxidase PPO6 from Aedes aegypti | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, TK receptor | Authors: | Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q. | Deposit date: | 2023-05-26 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Mosquitoes have evolved two types of prophenoloxidases To Be Published
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6MNR
| Rhesus macaque anti-HIV V3 antibody DH753 with gp120 V3 ZAM18 peptide | Descriptor: | 1,2-ETHANEDIOL, Ab DH753 heavy chain Fab fragment, Ab DH753 light chain, ... | Authors: | Nicely, N.I. | Deposit date: | 2018-10-02 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations. Nat Commun, 10, 2019
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6MNQ
| Rhesus macaque anti-HIV V3 antibody DH727.2 with gp120 V3 ZAM18 peptide | Descriptor: | 1,2-ETHANEDIOL, Ab DH727.2 heavy chain Fab fragment, Ab DH727.2 light chain, ... | Authors: | Nicely, N.I. | Deposit date: | 2018-10-02 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations. Nat Commun, 10, 2019
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6MNS
| Rhesus macaque anti-HIV V3 antibody DH753 with gp120 V3 ZAM18 peptide | Descriptor: | Ab DH753 heavy chain Fab fragment, Ab DH753 light chain, Envelope glylcoprotein, ... | Authors: | Nicely, N.I. | Deposit date: | 2018-10-02 | Release date: | 2019-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations. Nat Commun, 10, 2019
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7FGA
| Alpha-1,2-glucosyltransferase_UDP_sucrose_tll1591 | Descriptor: | Glycosyl transferase, URIDINE-5'-DIPHOSPHATE, alpha-D-glucopyranose-(1-1)-alpha-D-fructofuranose | Authors: | Su, J.Y. | Deposit date: | 2021-07-26 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family Acta Biochim.Biophys.Sin., 54, 2022
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7FG9
| Alpha-1,2-glucosyltransferase_UDP_tll1591 | Descriptor: | Glycosyl transferase, URIDINE-5'-DIPHOSPHATE | Authors: | Su, J.Y. | Deposit date: | 2021-07-26 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family Acta Biochim.Biophys.Sin., 54, 2022
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1K94
| Crystal structure of des(1-52)grancalcin with bound calcium | Descriptor: | CALCIUM ION, GRANCALCIN | Authors: | Jia, J, Borregaard, N, Lollike, K, Cygler, M. | Deposit date: | 2001-10-26 | Release date: | 2001-12-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Ca(2+)-loaded human grancalcin. Acta Crystallogr.,Sect.D, 57, 2001
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1K95
| Crystal structure of des(1-52)grancalcin with bound calcium | Descriptor: | GRANCALCIN | Authors: | Jia, J, Borregaard, N, Lollike, K, Cygler, M. | Deposit date: | 2001-10-26 | Release date: | 2001-12-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Ca(2+)-loaded human grancalcin. Acta Crystallogr.,Sect.D, 57, 2001
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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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1QBS
| HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | Authors: | Ala, P, Chang, C.-H. | Deposit date: | 1997-04-25 | Release date: | 1997-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas. J.Med.Chem., 39, 1996
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6V8Z
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6V8X
| VRC01 Bound BG505 F14 HIV-1 SOSIP Envelope Trimer Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Henderson, R, Acharya, P. | Deposit date: | 2019-12-12 | Release date: | 2020-02-05 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements. Nat Commun, 11, 2020
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2FZZ
| Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-hydroxy-1-pyrrolidinyl)methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one | Descriptor: | 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE, Coagulation factor X | Authors: | Alexander, R.S. | Deposit date: | 2006-02-10 | Release date: | 2006-06-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg.Med.Chem.Lett., 16, 2006
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1Z6E
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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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3KLF
| Crystal structure of wild-type HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA | Descriptor: | DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), GLYCEROL, ... | Authors: | Tu, X, Das, K, Sarafianos, S.G, Arnold, E. | Deposit date: | 2009-11-07 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
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