7QTG
 
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 | | 分子名称: | FE (II) ION, PlaO1, SULFATE ION | | 著者 | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | 登録日 | 2022-01-14 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.695 Å) | | 主引用文献 | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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7QTF
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with sodium succinate | | 分子名称: | ACETATE ION, MALONATE ION, PlaO1, ... | | 著者 | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | 登録日 | 2022-01-14 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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7QTD
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with iron and alpha-ketoglutarate | | 分子名称: | 2-OXOGLUTARIC ACID, ACETATE ION, FE (II) ION, ... | | 著者 | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | 登録日 | 2022-01-14 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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7QTE
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with cobalt and succinate | | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, COBALT (II) ION, PlaO1, ... | | 著者 | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | 登録日 | 2022-01-14 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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4RXV
 | | The crystal structure of the N-terminal fragment of uncharacterized protein from Legionella pneumophila | | 分子名称: | hypothetical protein lpg0944 | | 著者 | Nocek, B, Cuff, M, Evdokimova, E, Egorova, O, Joachimiak, A, Ensminger, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2014-12-12 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.099 Å) | | 主引用文献 | Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol Syst Biol, 12, 2016
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4UB9
 | | Structural and catalytic characterization of molinate hydrolase | | 分子名称: | Molinate hydrolase, ZINC ION | | 著者 | Leite, J.P, Duarte, M, Paiva, A, Ferreira-da-Silva, F, Matias, P.M, Nunes, O, Gales, L. | | 登録日 | 2014-08-12 | | 公開日 | 2015-06-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structure-guided engineering of molinate hydrolase for the degradation of thiocarbamate pesticides.
Plos One, 10, 2015
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4UV8
 | | LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine | | 分子名称: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | 著者 | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | 登録日 | 2014-08-05 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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5U5Q
 | | 12 Subunit RNA Polymerase II at Room Temperature collected using SFX | | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | 著者 | Bushnell, D.A, Oberthur, D, Mariani, V, Yefanov, O, Tolstikova, A, Barty, A. | | 登録日 | 2016-12-07 | | 公開日 | 2017-03-29 | | 最終更新日 | 2019-11-27 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Double-flow focused liquid injector for efficient serial femtosecond crystallography.
Sci Rep, 7, 2017
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4E93
 | | Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES)in complex with TAE684 | | 分子名称: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, Tyrosine-protein kinase Fes/Fps | | 著者 | Filippakopoulos, P, Salah, E, Miduturu, C.V, Fedorov, O, Cooper, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2012-03-20 | | 公開日 | 2012-04-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Small-Molecule Inhibitors of the c-Fes Protein-Tyrosine Kinase.
Chem.Biol., 19, 2012
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4XPI
 | | Fe protein independent substrate reduction by nitrogenase variants altered in intramolecular electron transfer | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, ... | | 著者 | Danyal, K, Rasmusen, A.J, Keable, S.M, Shaw, S, Zadvornyy, O, Duval, S, Dean, D.R, Raugei, S, Peters, J.W, Seefeldt, L.C. | | 登録日 | 2015-01-17 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Fe protein-independent substrate reduction by nitrogenase MoFe protein variants.
Biochemistry, 54, 2015
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4F21
 | | Crystal structure of carboxylesterase/phospholipase family protein from Francisella tularensis | | 分子名称: | Carboxylesterase/phospholipase family protein, N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form | | 著者 | Filippova, E.V, Minasov, G, Kuhn, M, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J.R, Kiryukhina, O, Becker, D.P, Armoush, N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2012-05-07 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Large scale structural rearrangement of a serine hydrolase from Francisella tularensis facilitates catalysis.
J.Biol.Chem., 288, 2013
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5KOQ
 | | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | | 登録日 | 2016-07-01 | | 公開日 | 2016-11-02 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.
Bioorg.Med.Chem., 24, 2016
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5KOS
 | | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | | 登録日 | 2016-07-01 | | 公開日 | 2016-11-16 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Discovery of TAK-272: A Novel, Potent, and Orally Active Renin Inhibitor.
Acs Med.Chem.Lett., 7, 2016
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4ZN9
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) | | 分子名称: | Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-05-04 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.215 Å) | | 主引用文献 | Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands.
Chemmedchem, 7, 2012
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5KOT
 | | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | | 分子名称: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | | 登録日 | 2016-07-01 | | 公開日 | 2017-07-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor
To be published
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4G95
 | | hDHFR-OAG binary complex | | 分子名称: | 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION | | 著者 | Cody, V, Pace, J, Queener, S, Adair, O, Gangjee, A. | | 登録日 | 2012-07-23 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Kinetic and structural analysis for potent antifolate inhibition of Pneumocystis jirovecii, Pneumocystis carinii, and human dihydrofolate reductases and their active-site variants.
Antimicrob.Agents Chemother., 57, 2013
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5L78
 | | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form) | | 分子名称: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | | 著者 | Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W. | | 登録日 | 2016-06-02 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form)
To Be Published
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4F78
 | | Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ... | | 著者 | Stogios, P.J, Wawrzak, Z, Evdokimova, E, Minasov, G, Egorova, O, Di Leo, R, Kudritska, M, Yim, V, Meziane-Cherif, D, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2012-05-15 | | 公開日 | 2012-05-23 | | 最終更新日 | 2014-05-14 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5L4Q
 | | Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor) | | 分子名称: | 1,2-ETHANEDIOL, AP2-associated protein kinase 1, ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide | | 著者 | Sorrell, F.J, Williams, E, Fox, N, Abdul Azeez, K.R, Gileadi, O, von Delft, F, Edwards, A.M, Bountra, C, Elkins, J.M, Knapp, S. | | 登録日 | 2016-05-26 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.
J.Med.Chem., 2019
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5L6Q
 | | Refolded AL protein from cardiac amyloidosis | | 分子名称: | CARBONATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Annamalai, K, Liberta, F, Vielberg, M.-T, Lilie, H, Guehrs, K.-H, Schierhorn, A, Koehler, R, Schmidt, A, Haupt, C, Hegenbart, O, Schoenland, S, Groll, M, Faendrich, M. | | 登録日 | 2016-05-31 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Common Fibril Structures Imply Systemically Conserved Protein Misfolding Pathways In Vivo.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4XJX
 | | STRUCTURE OF MUTANT (E165H) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, HsdR, MAGNESIUM ION | | 著者 | Baikova, T, Stsiapanava, A, Moche, M, Degtjarik, O, Kuta-Smatanova, I, Ettrich, R. | | 登録日 | 2015-01-09 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | STRUCTURE OF MUTANT (E165H) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP
To Be Published
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4EP9
 | | CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX WITH CoA-site inhibitor | | 分子名称: | 4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ... | | 著者 | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | | 登録日 | 2012-04-17 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
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4L5N
 | | Crystallographic Structure of HHV-1 Uracil-DNA Glycosylase complexed with the Bacillus phage PZA inhibitor protein p56 | | 分子名称: | ACETATE ION, Early protein GP1B, Uracil-DNA glycosylase | | 著者 | Cole, A.R, Sapir, O, Ryzhenkova, K, Baltulionis, G, Hornyak, P, Savva, R. | | 登録日 | 2013-06-11 | | 公開日 | 2013-08-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Architecturally diverse proteins converge on an analogous mechanism to inactivate Uracil-DNA glycosylase.
Nucleic Acids Res., 41, 2013
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5KCC
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N) | | 分子名称: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2016-06-06 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.386 Å) | | 主引用文献 | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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5AH9
 | | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | | 分子名称: | (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE | | 著者 | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Enstrom, O, Unge, J. | | 登録日 | 2015-02-05 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
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