PDB: 245663 件ウェブページステータス検索Chemie searchBIRD

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2VS4	THE BINDING OF UDP-GALACTOSE BY AN ACTIVE SITE MUTANT OF alpha-1,3 GALACTOSYLTRANSFERASE (alpha3GT) 分子名称: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ... 著者 Tumbale, P, Jamaluddin, H, Thiyagarajan, N, Brew, K, Acharya, K.R. 登録日 2008-04-18 公開日 2008-07-15 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Structural Basis of Udp-Galactose Binding by Alpha- 1,3-Galactosyltransferase (Alpha3Gt): Role of Negative Charge on Aspartic Acid 316 in Structure and Activity. Biochemistry, 47, 2008
2AVO	Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S 分子名称: ACETIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. 登録日 2005-08-30 公開日 2006-01-24 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J.Mol.Biol., 354, 2005
1HSG	CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES 分子名称: HIV-1 PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE 著者 Chen, Z. 登録日 1995-03-31 公開日 1996-04-03 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases. J.Biol.Chem., 269, 1994
4FLG	HIV-1 protease mutant I47V complexed with reaction intermediate 分子名称: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... 著者 Yu, X, Shen, C.H, Weber, I.T. 登録日 2012-06-14 公開日 2012-10-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease. Biochemistry, 51, 2012
1MEU	HIV-1 MUTANT (V82F, I84V) PROTEASE COMPLEXED WITH DMP323 分子名称: 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(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE 著者 Ala, P, Chang, C.-H. 登録日 1997-04-11 公開日 1998-04-15 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors. Biochemistry, 36, 1997
4AFJ	5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors 分子名称: 5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... 著者 Gentile, G, Merlo, G, Pozzan, A, Bernasconi, G, Bax, B, Bamborough, P, Bridges, A, Carter, P, Neu, M, Yao, G, Brough, C, Cutler, G, Coffin, A, Belyanskaya, S. 登録日 2012-01-19 公開日 2012-02-29 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 5-Aryl-4-Carboxamide-1,3-Oxazoles: Potent and Selective Gsk-3 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4DVT	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AS-II-37 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide, ... 著者 Kwon, Y.D, Kwong, P.D. 登録日 2012-02-23 公開日 2013-02-27 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site. Plos One, 9, 2014
4DWB	Crystal structure of Trypanosoma cruzi farnesyl diphosphate synthase in complex with [2-(n-pentylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ 分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, Farnesyl pyrophosphate synthase, ... 著者 Aripirala, S, Amzel, L.M, Gabelli, S.B. 登録日 2012-02-24 公開日 2013-01-16 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
4DKO	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with TS-II-224 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... 著者 Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. 登録日 2012-02-03 公開日 2012-05-02 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.981 Å) 主引用文献 Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
3GUS	Crystal strcture of human Pi class glutathione S-transferase GSTP1-1 in complex with 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol, GLUTATHIONE, ... 著者 Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M. 登録日 2009-03-30 公開日 2009-10-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases Cancer Res., 69, 2009
1FWY	CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE BOUND TO UDP-GLCNAC 分子名称: 1,2-ETHANEDIOL, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE, ... 著者 Brown, K, Pompeo, F, Dixon, S, Mengin-Lecreulx, D, Cambillau, C, Bourne, Y. 登録日 2000-09-25 公開日 2000-10-18 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of the bifunctional N-acetylglucosamine 1-phosphate uridyltransferase from Escherichia coli: a paradigm for the related pyrophosphorylase superfamily. EMBO J., 18, 1999
2ON3	A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane 分子名称: 3-AMINOOXY-1-AMINOPROPANE, Ornithine decarboxylase 著者 Dufe, V.T, Ingner, D, Heby, O, Khomutov, A.R, Persson, L, Al-Karadaghi, S. 登録日 2007-01-23 公開日 2007-07-17 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane. Biochem.J., 405, 2007
2OPR	Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. 分子名称: ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, Reverse transcriptase/ribonuclease H, p51 RT 著者 Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K. 登録日 2007-01-30 公開日 2007-05-22 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases. J.Med.Chem., 50, 2007
1MET	HIV-1 MUTANT (V82F) PROTEASE COMPLEXED WITH DMP323 分子名称: 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(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE 著者 Ala, P, Chang, C.-H. 登録日 1997-04-11 公開日 1998-04-15 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors. Biochemistry, 36, 1997
5UOV	HIV-1 wild Type protease with GRL-1118A , an isophthalamide-derived P2-P3 ligand with the sulfonamide isostere as the P2' group 分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ... 著者 Wang, Y.-F, Agniswamy, J, Weber, I.T. 登録日 2017-02-01 公開日 2017-05-10 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex. Bioorg. Med. Chem., 25, 2017
5YFT	Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ... 著者 Gogoi, P, Kanaujia, S.P. 登録日 2017-09-22 公開日 2018-02-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3. Sci Rep, 8, 2018
1GNN	HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASN (V82N) COMPLEXED WITH U89360E (INHIBITOR) 分子名称: HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE 著者 Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. 登録日 1996-05-04 公開日 1996-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
1ODY	HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 分子名称: 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, HIV-1 PROTEASE 著者 Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. 登録日 1998-07-13 公開日 1999-02-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV. Protein Sci., 7, 1998
1GNM	HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASP (V82D) COMPLEXED WITH U89360E (INHIBITOR) 分子名称: HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE 著者 Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. 登録日 1996-05-04 公開日 1996-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
4LSN	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ518), a non-nucleoside inhibitor 分子名称: (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ... 著者 Gray, W.T, Frey, K.M, Anderson, K.S. 登録日 2013-07-22 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase. Chem.Biol.Drug Des., 83, 2014
4DKV	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-10007 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... 著者 Kwon, Y.D, Debnath, A.K, Kwong, P.D. 登録日 2012-02-04 公開日 2013-03-20 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.1847 Å) 主引用文献 Binding mode characterization of NBD series CD4-mimetic HIV-1 entry inhibitors by X-ray structure and resistance study. Antimicrob. Agents Chemother., 58, 2014
4DXJ	Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-propylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ 分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Aripirala, S, Amzel, L.M, Gabelli, S.B. 登録日 2012-02-27 公開日 2013-01-16 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
4LSL	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ476), a non-nucleoside inhibitor 分子名称: (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2013-07-22 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase. Chem.Biol.Drug Des., 83, 2014
3RAU	Crystal structure of the HD-PTP Bro1 domain 分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... 著者 Mu, R.L, Jiang, J.S, Snyder, G, Smith, P, Xiao, T. 登録日 2011-03-28 公開日 2011-09-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 The Phe105 Loop of Alix Bro1 Domain Plays a Key Role in HIV-1 Release. Structure, 19, 2011
4JEC	Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir 分子名称: CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER 著者 Kovalevsky, A.Y, Weber, I.T, Langan, P. 登録日 2013-02-26 公開日 2013-07-24 最終更新日 2025-11-12 実験手法 NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION 主引用文献 Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design. J.Med.Chem., 56, 2013

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