3KEK
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![BU of 3kek by Molmil](/molmil-images/mine/3kek) | Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | 分子名称: | CALCIUM ION, Collagenase 3, ZINC ION, ... | 著者 | Shieh, H.-S, Collins, B, Schnute, M.E. | 登録日 | 2009-10-26 | 公開日 | 2010-11-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg.Med.Chem.Lett., 20, 2009
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6TEP
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![BU of 6tep by Molmil](/molmil-images/mine/6tep) | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | 登録日 | 2019-11-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
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5AHC
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![BU of 5ahc by Molmil](/molmil-images/mine/5ahc) | 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-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE | 著者 | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, 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 (1.5 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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5AH9
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![BU of 5ah9 by Molmil](/molmil-images/mine/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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5AGZ
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![BU of 5agz by Molmil](/molmil-images/mine/5agz) | 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-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | 著者 | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | 登録日 | 2015-02-04 | 公開日 | 2015-05-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.2 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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5F9S
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![BU of 5f9s by Molmil](/molmil-images/mine/5f9s) | Crystal structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 1.7 Angstrom; internal aldimine with PLP in the active site | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | 著者 | Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R. | 登録日 | 2015-12-10 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis. Sci Rep, 7, 2017
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6TEQ
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![BU of 6teq by Molmil](/molmil-images/mine/6teq) | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, ... | 著者 | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | 登録日 | 2019-11-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
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6TER
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![BU of 6ter by Molmil](/molmil-images/mine/6ter) | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | 登録日 | 2019-11-12 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
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5E4G
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![BU of 5e4g by Molmil](/molmil-images/mine/5e4g) | Crystal structure of human growth differentiation factor 11 (GDF-11) | 分子名称: | Growth/differentiation factor 11, TETRAETHYLENE GLYCOL | 著者 | Padyana, A.K, Vaidialingam, B, Hayes, D.B, Gupta, P, Franti, M, Farrow, N.A. | 登録日 | 2015-10-06 | 公開日 | 2016-03-09 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of human GDF11. Acta Crystallogr.,Sect.F, 72, 2016
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5AH7
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![BU of 5ah7 by Molmil](/molmil-images/mine/5ah7) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | 分子名称: | (3R,3aS,4R,6aS)-4-chlorohexahydrofuro[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, Unge, J. | 登録日 | 2015-02-05 | 公開日 | 2015-02-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.55 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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5AHB
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![BU of 5ahb by Molmil](/molmil-images/mine/5ahb) | 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-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | 著者 | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, 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 (1.5 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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5AHA
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![BU of 5aha by Molmil](/molmil-images/mine/5aha) | 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)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | 著者 | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, 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 (1.35 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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5AH8
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![BU of 5ah8 by Molmil](/molmil-images/mine/5ah8) | 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-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | 著者 | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, 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 (1.26 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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5AH6
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![BU of 5ah6 by Molmil](/molmil-images/mine/5ah6) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | 分子名称: | (3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | 著者 | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, 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 (1.5 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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6RK3
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![BU of 6rk3 by Molmil](/molmil-images/mine/6rk3) | Solution structure of the ribosome Elongation Factor P (EF-P) from Staphylococcus aureus | 分子名称: | Elongation factor P | 著者 | Usachev, K, Fatkhullin, B, Gabdulkhakov, A, Khusainov, I, Golubev, A, Validov, S, Yusupova, G, Yusupov, M. | 登録日 | 2019-04-30 | 公開日 | 2020-03-11 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR and crystallographic structural studies of the Elongation factor P from Staphylococcus aureus. Eur.Biophys.J., 49, 2020
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6BXH
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![BU of 6bxh by Molmil](/molmil-images/mine/6bxh) | Menin in complex with MI-853 | 分子名称: | 1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ... | 著者 | Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | 登録日 | 2017-12-18 | 公開日 | 2018-11-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.445 Å) | 主引用文献 | Menin in complex with MI-853 To Be Published
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2021-02-05 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6RV1
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![BU of 6rv1 by Molmil](/molmil-images/mine/6rv1) | human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | 著者 | Giardina, G, Cutruzzola, F, Cellini, B, Mirco, D. | 登録日 | 2019-05-30 | 公開日 | 2020-04-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Cycloserine enantiomers are reversible inhibitors of human alanine:glyoxylate aminotransferase: implications for Primary Hyperoxaluria type 1. Biochem.J., 476, 2019
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1L3P
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![BU of 1l3p by Molmil](/molmil-images/mine/1l3p) | CRYSTAL STRUCTURE OF THE FUNCTIONAL DOMAIN OF THE MAJOR GRASS POLLEN ALLERGEN Phl p 5b | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, POLLEN ALLERGEN Phl p 5b | 著者 | Rajashankar, K.R, Bufe, A, Weber, W, Eschenburg, S, Lindner, B, Betzel, C. | 登録日 | 2002-02-28 | 公開日 | 2003-02-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structure of the functional domain of the major grass-pollen allergen Phlp 5b. Acta Crystallogr.,Sect.D, 58, 2002
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6RV0
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![BU of 6rv0 by Molmil](/molmil-images/mine/6rv0) | human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma); with PMP in the active site | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | 著者 | Giardina, G, Cutruzzola, F, Cellini, B, Mirco, D. | 登録日 | 2019-05-30 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Cycloserine enantiomers are reversible inhibitors of human alanine:glyoxylate aminotransferase: implications for Primary Hyperoxaluria type 1. Biochem.J., 476, 2019
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6S8W
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![BU of 6s8w by Molmil](/molmil-images/mine/6s8w) | Aromatic aminotransferase AroH (Aro8) form Aspergillus fumigatus in complex with PLP (internal aldimine) | 分子名称: | Aromatic aminotransferase Aro8, putative, FORMIC ACID, ... | 著者 | Giardina, G, Mirco, D, Spizzichino, S, Zelante, T, Cutruzzola, F, Romani, L, Cellini, B. | 登録日 | 2019-07-10 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of Aspergillus fumigatus AroH, an aromatic amino acid aminotransferase Proteins, 2021
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1TLV
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![BU of 1tlv by Molmil](/molmil-images/mine/1tlv) | Structure of the native and inactive LicT PRD from B. subtilis | 分子名称: | Transcription antiterminator licT | 著者 | Graille, M, Zhou, C.-Z, Receveur-Brechot, V, Collinet, B, Declerck, N, van Tilbeurgh, H. | 登録日 | 2004-06-10 | 公開日 | 2005-02-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Activation of the LicT Transcriptional Antiterminator Involves a Domain Swing/Lock Mechanism Provoking Massive Structural Changes J.Biol.Chem., 280, 2005
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1OCU
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![BU of 1ocu by Molmil](/molmil-images/mine/1ocu) | Crystal structure of the yeast PX-domain protein Grd19p (sorting nexin 3) complexed to phosphatidylinosytol-3-phosphate. | 分子名称: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, SORTING NEXIN | 著者 | Zhou, C.Z, Li de La Sierra-Gallay, I, Cheruel, S, Collinet, B, Minard, P, Blondeau, K, Henkes, G, Aufrere, R, Leulliot, N, Graille, M, Sorel, I, Savarin, P, de la Torre, F, Poupon, A, Janin, J, van Tilbeurgh, H. | 登録日 | 2003-02-10 | 公開日 | 2003-12-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the yeast Phox homology (PX) domain protein Grd19p complexed to phosphatidylinositol-3-phosphate. J. Biol. Chem., 278, 2003
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8QUA
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![BU of 8qua by Molmil](/molmil-images/mine/8qua) | GTP binding protein YsxC from Staphylococcus aureus | 分子名称: | ACETYL GROUP, GLYCEROL, Probable GTP-binding protein EngB | 著者 | Biktimirov, A, Islamov, D, Lazarenko, V, Fatkhullin, B, Validov, S, Yusupov, M, Usachev, K. | 登録日 | 2023-10-15 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of GTPase YsxC from Staphylococcus aureus. Biochem.Biophys.Res.Commun., 699, 2024
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8TXY
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![BU of 8txy by Molmil](/molmil-images/mine/8txy) | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | 著者 | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | 登録日 | 2023-08-24 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation. Proc.Natl.Acad.Sci.USA, 121, 2024
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