8QKA
 
 | | Structure of K. pneumoniae LpxH in complex with JEDI-852 | | 分子名称: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2023-09-14 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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2VUX
 | | Human ribonucleotide reductase, subunit M2 B | | 分子名称: | FE (III) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE SUBUNIT M2 B | | 著者 | Welin, M, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2008-05-31 | | 公開日 | 2008-07-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Human Ribonucleotide Reductase, Subunit M2 B
To be Published
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2W4L
 | | Human dCMP deaminase | | 分子名称: | CHLORIDE ION, DEOXYCYTIDYLATE DEAMINASE, ZINC ION | | 著者 | Siponen, M.I, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schuler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Nordlund, P. | | 登録日 | 2008-11-28 | | 公開日 | 2009-01-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Crystal Structure of Human Dcmp Deaminase
To be Published
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2CEJ
 | | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | | 分子名称: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE, POL PROTEIN | | 著者 | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | | 登録日 | 2006-02-07 | | 公開日 | 2007-02-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold
J.Med.Chem., 49, 2006
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2W7T
 | | Trypanosoma brucei CTPS - glutaminase domain with bound acivicin | | 分子名称: | CHLORIDE ION, PUTATIVE CYTIDINE TRIPHOSPHATE SYNTHASE | | 著者 | Welin, M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2008-12-30 | | 公開日 | 2009-01-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Trypanosoma Brucei Ctps - Glutaminase Domain with Bound Acivicin
To be Published
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2WL0
 | | HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity | | 分子名称: | METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE | | 著者 | Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T. | | 登録日 | 2009-06-19 | | 公開日 | 2009-12-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells.
J.Med.Chem., 53, 2010
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8QK2
 | | Structure of K.pneumoniae LpxH in complex with EBL-3339 | | 分子名称: | MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase, ~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2023-09-14 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8QK9
 | | Structure of E. coli LpxH in complex with JEDI-1444 | | 分子名称: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2023-09-14 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8QK5
 | | Structure of K. pneumoniae LpxH in complex with EBL-3647 | | 分子名称: | 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2023-09-14 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3HNG
 | | Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide | | 分子名称: | CHLORIDE ION, N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide, Vascular endothelial growth factor receptor 1 | | 著者 | Tresaugues, L, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Kragh-Nielsen, T, Kotzch, A, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van der Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2009-05-31 | | 公開日 | 2009-06-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide
To be Published
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3COG
 | | Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine | | 分子名称: | (2S)-2-aminopent-4-enoic acid, Cystathionine gamma-lyase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Collins, R, Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Schuler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Sagermark, J, Busam, R.D, Welin, M, Weigelt, J, Wikstrom, M, Structural Genomics Consortium (SGC) | | 登録日 | 2008-03-28 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S.
J.Biol.Chem., 284, 2009
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2V4U
 | | Human CTP synthetase 2 - glutaminase domain in complex with 5-OXO-L- NORLEUCINE | | 分子名称: | CTP SYNTHASE 2 | | 著者 | Welin, M, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Weigelt, J, Wikstrom, M, Nordlund, P. | | 登録日 | 2008-09-29 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Human Ctp Synthetase 2 - Glutaminase Domain in Complex with 5-Oxo-L-Norleucine
To be Published
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2C16
 | | 5-(4-Carboxy-2-oxo-butane-1-sulfinyl)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | | 分子名称: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | | 登録日 | 2005-09-11 | | 公開日 | 2006-06-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors.
Biochemistry, 45, 2006
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1GZY
 | | Human Insulin-like growth factor; In-house data | | 分子名称: | INSULIN-LIKE GROWTH FACTOR I, N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE | | 著者 | Brzozowski, A.M, Dodson, E.J, Dodson, G.G, Murshudov, G, Verma, C, Turkenburg, J.P, De Bree, F.M, Dauter, Z. | | 登録日 | 2002-06-10 | | 公開日 | 2002-07-25 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Structural Origins of the Functional Divergence of Human Insulin-Like Growth Factor-I and Insulin
Biochemistry, 41, 2002
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2C14
 | | 5-(4-Carboxy-2-oxo-butylamino)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | | 分子名称: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION | | 著者 | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | | 登録日 | 2005-09-11 | | 公開日 | 2006-06-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors.
Biochemistry, 45, 2006
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1TDQ
 | | Structural basis for the interactions between tenascins and the C-type lectin domains from lecticans: evidence for a cross-linking role for tenascins | | 分子名称: | Aggrecan core protein, CALCIUM ION, Tenascin-R | | 著者 | Lundell, A, Olin, A.I, Moergelin, M, al-Karadaghi, S, Aspberg, A, Logan, D.T. | | 登録日 | 2004-05-24 | | 公開日 | 2004-08-31 | | 最終更新日 | 2021-03-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis for interactions between tenascins and lectican C-type lectin domains: evidence for a crosslinking role for tenascins
Structure, 12, 2004
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2C18
 | | 5-(4-Carboxy-2-oxo-butane-1-sulfonyl)-4-oxo-pentanoic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | | 分子名称: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION, ... | | 著者 | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | | 登録日 | 2005-09-11 | | 公開日 | 2006-06-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors.
Biochemistry, 45, 2006
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5YVG
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2C13
 | | 5-hydroxy-levulinic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | | 分子名称: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | | 登録日 | 2005-09-11 | | 公開日 | 2006-06-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors.
Biochemistry, 45, 2006
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2C15
 | | 5-(4-Carboxy-2-oxo-butoxy)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | | 分子名称: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION | | 著者 | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | | 登録日 | 2005-09-11 | | 公開日 | 2006-06-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors.
Biochemistry, 45, 2006
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2BQV
 | | HIV-1 protease in complex with inhibitor AHA455 | | 分子名称: | 6-AMINO HEXANOIC ACID, HIV-1 PROTEASE | | 著者 | Unge, T, Ekegren, J.K, Schenk, H.V, Zreik Safa, M, Wallberg, H, Samuelsson, B, Hallberg, A. | | 登録日 | 2005-04-28 | | 公開日 | 2005-12-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A New Class of HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimicking Scaffold.
J.Med.Chem., 48, 2005
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2WNS
 | | Human Orotate phosphoribosyltransferase (OPRTase) domain of Uridine 5' -monophosphate synthase (UMPS) in complex with its substrate orotidine 5'-monophosphate (OMP) | | 分子名称: | CHLORIDE ION, OROTATE PHOSPHORIBOSYLTRANSFERASE, OROTIDINE-5'-MONOPHOSPHATE | | 著者 | Moche, M, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotyenova, T, Kotzch, A, Nielsen, T.K, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P. | | 登録日 | 2009-07-19 | | 公開日 | 2009-08-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Human Orotate Phosphoribosyltransferase (Oprtase) Domain of Uridine 5'-Monophosphate Synthase (Umps) in Complex with its Substrate Orotidine 5'-Monophosphate (Omp)
To be Published
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1GZ9
 | | High-Resolution Crystal Structure of Erythrina cristagalli Lectin in Complex with 2'-alpha-L-Fucosyllactose | | 分子名称: | CALCIUM ION, ERYTHRINA CRISTA-GALLI LECTIN, MANGANESE (II) ION, ... | | 著者 | Svensson, C, Teneberg, S, Nilsson, C.L, Kjellberg, A, Schwarz, F.P, Sharon, N, Krengel, U. | | 登録日 | 2002-05-17 | | 公開日 | 2002-06-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | High-Resolution Crystal Structures of Erythrina Cristagalli Lectin in Complex with Lactose and 2'-Alpha-L-Fucosyllactose and Correlation with Thermodynamic Binding Data
J.Mol.Biol., 321, 2002
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1GZR
 | | Human Insulin-like growth factor; ESRF data | | 分子名称: | INSULIN-LIKE GROWTH FACTOR I, N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE | | 著者 | Brzozowski, A.M, Dodson, E.J, Dodson, G.G, Murshudov, G, Verma, C, Turkenburg, J.P, De Bree, F.M, Dauter, Z. | | 登録日 | 2002-05-28 | | 公開日 | 2002-07-25 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Origins of the Functional Divergence of Human Insulin-Like Growth Factor-I and Insulin
Biochemistry, 41, 2002
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2WKZ
 | | HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity | | 分子名称: | METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE | | 著者 | Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T. | | 登録日 | 2009-06-19 | | 公開日 | 2009-12-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells.
J.Med.Chem., 53, 2010
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