2F9A
| HMG-CoA synthase from Brassica juncea in complex with F-244 | 分子名称: | (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid, 3-Hydroxy-3-methylglutaryl coenzyme A synthase 1 | 著者 | Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P. | 登録日 | 2005-12-05 | 公開日 | 2006-07-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases. Proc.Natl.Acad.Sci.Usa, 103, 2006
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1P9X
| THE CRYSTAL STRUCTURE OF THE 50S LARGE RIBOSOMAL SUBUNIT FROM DEINOCOCCUS RADIODURANS COMPLEXED WITH TELITHROMYCIN KETOLIDE ANTIBIOTIC | 分子名称: | 23S RIBOSOMAL RNA, TELITHROMYCIN | 著者 | Berisio, R, Harms, J, Schluenzen, F, Zarivach, R, Hansen, H.A, Fucini, P, Yonath, A. | 登録日 | 2003-05-13 | 公開日 | 2003-08-05 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structural insight into the antibiotic action of telithromycin against resistant mutants J.Bacteriol., 185, 2003
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4JPM
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8BEL
| Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CIII membrane domain) | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ... | 著者 | Klusch, N, Kuehlbrandt, W. | 登録日 | 2022-10-21 | 公開日 | 2023-01-11 | 最終更新日 | 2023-02-01 | 実験手法 | ELECTRON MICROSCOPY (2.25 Å) | 主引用文献 | Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution. Nat.Plants, 9, 2023
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8BSG
| COMPLEX OF LEPORINE SERUM ALBUMIN WITH DICLOFENAC | 分子名称: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... | 著者 | Bujacz, A, Talaj, J, Zielinski, K. | 登録日 | 2022-11-25 | 公開日 | 2023-02-08 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins. Int J Mol Sci, 24, 2023
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1PQQ
| NMR Structure of a Cyclic Polyamide-DNA Complex | 分子名称: | 45-(3-AMINOPROPYL)-5,11,22,28,34-PENTAMETHYL-3,9,15,20,26,32,38,43-OCTAOXO-2,5,8,14,19,22,25,28,31,34,37,42,45,48-TETRADECAAZA-11-AZONIAHEPTACYCLO[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]DOPENTACONTA-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-DODECAENE, 5'-D(*CP*GP*CP*TP*AP*AP*CP*AP*GP*GP*C)-3', 5'-D(*GP*CP*CP*TP*GP*TP*TP*AP*GP*CP*G)-3' | 著者 | Zhang, Q, Dwyer, T.J, Tsui, V, Case, D.A, Cho, J, Dervan, P.B, Wemmer, D.E. | 登録日 | 2003-06-18 | 公開日 | 2004-06-29 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR Structure of a Cyclic Polyamide-DNA Complex. J.Am.Chem.Soc., 126, 2004
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6PUU
| Human TRPM2 bound to 8-Br-cADPR and calcium | 分子名称: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2 | 著者 | Du, J, Lu, W, Huang, Y. | 登録日 | 2019-07-18 | 公開日 | 2019-09-25 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel. Elife, 8, 2019
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1S9D
| ARF1[DELTA 1-17]-GDP-MG IN COMPLEX WITH BREFELDIN A AND A SEC7 DOMAIN | 分子名称: | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-4-ONE, ADP-Ribosylation Factor 1, Arno, ... | 著者 | Renault, L, Guibert, B, Cherfils, J. | 登録日 | 2004-02-04 | 公開日 | 2004-02-10 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Snapshots of the Mechanism and Inhibition of a Guanine Nucleotide Exchange Factor Nature, 426, 2003
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6LQZ
| Solution structure of Taf14ET-Sth1EBMC | 分子名称: | Nuclear protein STH1/NPS1, Transcription initiation factor TFIID subunit 14 | 著者 | Wu, B, Chen, G, Chen, Y. | 登録日 | 2020-01-15 | 公開日 | 2020-08-05 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Taf14 recognizes a common motif in transcriptional machineries and facilitates their clustering by phase separation. Nat Commun, 11, 2020
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7BQ4
| X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization | 分子名称: | 15-meric peptide from Nuclear receptor coactivator 1, 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, ... | 著者 | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | 登録日 | 2020-03-23 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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1R1K
| Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to ponasterone A | 分子名称: | 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ... | 著者 | Billas, I.M.L, Iwema, T, Garnier, J.-M, Mitschler, A, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE) | 登録日 | 2003-09-24 | 公開日 | 2003-11-18 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural adaptability in the ligand-binding pocket of the ecdysone hormone receptor. Nature, 426, 2003
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7BVC
| Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | 分子名称: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | 著者 | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | 登録日 | 2020-04-10 | 公開日 | 2020-04-29 | 最終更新日 | 2020-07-01 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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1RRJ
| Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I | 分子名称: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | 著者 | Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R. | 登録日 | 2003-12-08 | 公開日 | 2004-07-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Mechanisms of camptothecin resistance by human topoisomerase I mutations J.Mol.Biol., 339, 2004
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4KE1
| Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 19 | 分子名称: | (12S)-12-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione, Beta-Secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M, Li, V. | 登録日 | 2013-04-25 | 公開日 | 2013-07-03 | 最終更新日 | 2013-07-17 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity. Bioorg.Med.Chem.Lett., 23, 2013
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2A5I
| Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in the space group C2 | 分子名称: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 1,2-ETHANEDIOL, 3C-like peptidase, ... | 著者 | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N. | 登録日 | 2005-06-30 | 公開日 | 2005-10-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide J.Mol.Biol., 353, 2005
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7BWR
| Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in substrate DPA bound asymmetric "active state" | 分子名称: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein, ... | 著者 | Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H. | 登録日 | 2020-04-15 | 公開日 | 2020-05-27 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2. Protein Cell, 11, 2020
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7BVG
| Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose. | 分子名称: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | 著者 | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | 登録日 | 2020-04-10 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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1R8Q
| FULL-LENGTH ARF1-GDP-MG IN COMPLEX WITH BREFELDIN A AND A SEC7 DOMAIN | 分子名称: | 1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-4-ONE, ADP-ribosylation factor 1, Arno, ... | 著者 | Renault, L, Guibert, B, Cherfils, J. | 登録日 | 2003-10-28 | 公開日 | 2004-01-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structural snapshots of the mechanism and inhibition of a guanine nucleotide exchange factor Nature, 426, 2003
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2A5K
| Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in space group P212121 | 分子名称: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like peptidase | 著者 | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N. | 登録日 | 2005-06-30 | 公開日 | 2005-10-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide J.Mol.Biol., 353, 2005
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7ZQ1
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2205 | 分子名称: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | 著者 | Huber, S, Steinmetzer, T. | 登録日 | 2022-04-29 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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7ZPD
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2293 | 分子名称: | 1-[(8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | 著者 | Huber, S, Steinmetzer, T. | 登録日 | 2022-04-27 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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7B9Y
| Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 64a | 分子名称: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | 登録日 | 2020-12-15 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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7ZQF
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2206 | 分子名称: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, Serine protease NS3, ... | 著者 | Huber, S, Steinmetzer, T. | 登録日 | 2022-04-29 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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7ZTM
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2128 | 分子名称: | 1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | 著者 | Huber, S, Steinmetzer, T. | 登録日 | 2022-05-10 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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7BA0
| Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 63 | 分子名称: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | 登録日 | 2020-12-15 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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