5LVX
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![BU of 5lvx by Molmil](/molmil-images/mine/5lvx) | Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | 分子名称: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D. | 登録日 | 2016-09-14 | 公開日 | 2017-10-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site. J. Am. Chem. Soc., 140, 2018
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1EWF
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![BU of 1ewf by Molmil](/molmil-images/mine/1ewf) | THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERICIDAL/PERMEABILITY-INCREASING PROTEIN | 著者 | Kleiger, G, Beamer, L.J, Grothe, R, Mallick, P, Eisenberg, D. | 登録日 | 2000-04-25 | 公開日 | 2000-06-21 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The 1.7 A crystal structure of BPI: a study of how two dissimilar amino acid sequences can adopt the same fold. J.Mol.Biol., 299, 2000
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6DHG
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![BU of 6dhg by Molmil](/molmil-images/mine/6dhg) | RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | 登録日 | 2018-05-20 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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2M5W
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![BU of 2m5w by Molmil](/molmil-images/mine/2m5w) | NMR Solution Structure of the La motif (N-terminal Domain, NTD) of Dictyostelium discoideum La protein | 分子名称: | Lupus La protein | 著者 | Vourtsis, D.J, Chasapis, C.T, Apostolidi, M, Stathopoulos, C, Bentrop, D, Spyroulias, G.A. | 登録日 | 2013-03-11 | 公開日 | 2014-03-12 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR Solution Structure of the La motif (N-terminal Domain, NTD) of Dictyostelium discoideum La protein To be Published
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1EXN
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5LPL
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![BU of 5lpl by Molmil](/molmil-images/mine/5lpl) | Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c | 分子名称: | CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide | 著者 | Wohlwend, D, Huegle, M. | 登録日 | 2016-08-13 | 公開日 | 2017-08-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl., 56, 2017
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6DMP
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![BU of 6dmp by Molmil](/molmil-images/mine/6dmp) | De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks | 分子名称: | Designed orthogonal protein DHD13_XAAA_A, Designed orthogonal protein DHD13_XAAA_B | 著者 | Chen, Z, Flores-Solis, D, Sgourakis, N.G, Baker, D. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Programmable design of orthogonal protein heterodimers. Nature, 565, 2019
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2M68
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![BU of 2m68 by Molmil](/molmil-images/mine/2m68) | NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R in complex with IGF2 (domain 11 structure only) | 分子名称: | Insulin-like growth factor 2 receptor variant | 著者 | Strickland, M, Williams, C, Richards, E, Minnall, L, Crump, M.P, Frago, S, Hughes, J, Garner, L, Hoppe, H, Rezgui, D, Zaccheo, O.J, Prince, S.N, Hassan, A.B, Whittaker, S. | 登録日 | 2013-03-27 | 公開日 | 2014-10-15 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist. Proc.Natl.Acad.Sci.USA, 113, 2016
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3IPS
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![BU of 3ips by Molmil](/molmil-images/mine/3ips) | X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha | 分子名称: | Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ... | 著者 | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | 登録日 | 2009-08-18 | 公開日 | 2010-06-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling. J.Mol.Biol., 399, 2010
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1E7D
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![BU of 1e7d by Molmil](/molmil-images/mine/1e7d) | Endonuclease VII (ENDOVII) Ffrom Phage T4 | 分子名称: | CALCIUM ION, CHLORIDE ION, RECOMBINATION ENDONUCLEASE VII, ... | 著者 | Raaijmakers, H.C.A, Vix, O, Toro, I, Suck, D. | 登録日 | 2000-08-28 | 公開日 | 2001-05-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Conformational Flexibility in T4 Endonuclease Vii Revealed by Crystallography: Implications for Substrate Binding and Cleavage J.Mol.Biol., 308, 2001
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6I4A
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![BU of 6i4a by Molmil](/molmil-images/mine/6i4a) | Structure of P. aeruginosa LpxC with compound 18d: (2R)-N-Hydroxy-4-(6-((1-(hydroxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-2-methyl-2-(methylsulfonyl)butanamide | 分子名称: | (2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | 著者 | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | 登録日 | 2018-11-09 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | 主引用文献 | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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1WOG
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![BU of 1wog by Molmil](/molmil-images/mine/1wog) | Crystal Structure of Agmatinase Reveals Structural Conservation and Inhibition Mechanism of the Ureohydrolase Superfamily | 分子名称: | HEXANE-1,6-DIAMINE, MANGANESE (II) ION, agmatinase | 著者 | Ahn, H.J, Kim, K.H, Lee, J, Ha, J.-Y, Lee, H.H, Kim, D, Yoon, H.-J, Kwon, A.-R, Suh, S.W. | 登録日 | 2004-08-18 | 公開日 | 2004-09-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of agmatinase reveals structural conservation and inhibition mechanism of the ureohydrolase superfamily J.Biol.Chem., 279, 2004
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1MS6
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![BU of 1ms6 by Molmil](/molmil-images/mine/1ms6) | Dipeptide Nitrile Inhibitor Bound to Cathepsin S. | 分子名称: | Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | 著者 | Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M. | 登録日 | 2002-09-19 | 公開日 | 2003-04-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors J.Med.Chem., 45, 2002
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1MUI
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![BU of 1mui by Molmil](/molmil-images/mine/1mui) | Crystal structure of HIV-1 protease complexed with Lopinavir. | 分子名称: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | 著者 | Stoll, V, Qin, W, Stewart, K.D, Jakob, C, Park, C, Walter, K, Simmer, R.L, Helfrich, R, Bussiere, D, Kao, J, Kempf, D, Sham, H.L, Norbeck, D.W. | 登録日 | 2002-09-23 | 公開日 | 2002-10-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease BIOORG.MED.CHEM., 10, 2002
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6I46
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![BU of 6i46 by Molmil](/molmil-images/mine/6i46) | Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | 分子名称: | (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | 著者 | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | 登録日 | 2018-11-09 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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5LPM
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![BU of 5lpm by Molmil](/molmil-images/mine/5lpm) | Crystal structure of the bromodomain of human Ep300 bound to the inhibitor XDM3d | 分子名称: | ACETATE ION, Histone acetyltransferase p300, ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide | 著者 | Huegle, M, Wohlwend, D, Gerhardt, S. | 登録日 | 2016-08-13 | 公開日 | 2017-08-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl., 56, 2017
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1ELE
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![BU of 1ele by Molmil](/molmil-images/mine/1ele) | STRUCTURAL ANALYSIS OF THE ACTIVE SITE OF PORCINE PANCREATIC ELASTASE BASED ON THE X-RAY CRYSTAL STRUCTURES OF COMPLEXES WITH TRIFLUOROACETYL-DIPEPTIDE-ANILIDE INHIBITORS | 分子名称: | CALCIUM ION, ELASTASE, N-(trifluoroacetyl)-L-valyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide, ... | 著者 | Mattos, C, Petsko, G.A, Ringe, D. | 登録日 | 1994-10-24 | 公開日 | 1995-02-14 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural analysis of the active site of porcine pancreatic elastase based on the X-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors. Biochemistry, 34, 1995
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1ELF
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![BU of 1elf by Molmil](/molmil-images/mine/1elf) | NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH | 分子名称: | (TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ... | 著者 | Ding, X, Rasmussen, B, Demuth, H.-U, Ringe, D, Steinmetz, A.C.U. | 登録日 | 1995-03-13 | 公開日 | 1995-07-10 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH. Biochemistry, 34, 1995
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1ELD
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![BU of 1eld by Molmil](/molmil-images/mine/1eld) | Structural analysis of the active site of porcine pancreatic elastase based on the x-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors | 分子名称: | ACETIC ACID, CALCIUM ION, ELASTASE, ... | 著者 | Mattos, C, Petsko, G.A, Ringe, D. | 登録日 | 1994-10-24 | 公開日 | 1995-02-14 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural analysis of the active site of porcine pancreatic elastase based on the X-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors. Biochemistry, 34, 1995
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5LMD
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![BU of 5lmd by Molmil](/molmil-images/mine/5lmd) | The crystal structure of hCA II in complex with a benzoxaborole inhibitor | 分子名称: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION | 著者 | De Simone, G, Alterio, V, Esposito, D, Di Fiore, A. | 登録日 | 2016-07-29 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52, 2016
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4XHV
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![BU of 4xhv by Molmil](/molmil-images/mine/4xhv) | Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ... | 著者 | Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B. | 登録日 | 2015-01-06 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function. Nat Commun, 6, 2015
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5LOC
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1F3D
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![BU of 1f3d by Molmil](/molmil-images/mine/1f3d) | CATALYTIC ANTIBODY 4B2 IN COMPLEX WITH ITS AMIDINIUM HAPTEN. | 分子名称: | 2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM, CATALYTIC ANTIBODY 4B2, SULFATE ION | 著者 | Golinelli-Pimpaneau, B, Goncalves, O, Dintinger, T, Blanchard, D, Knossow, M, Tellier, C. | 登録日 | 2000-06-02 | 公開日 | 2000-09-13 | 最終更新日 | 2012-07-04 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structural evidence for a programmed general base in the active site of a catalytic antibody. Proc.Natl.Acad.Sci.USA, 97, 2000
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8EXA
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![BU of 8exa by Molmil](/molmil-images/mine/8exa) | ISDra2 TnpB in complex with reRNA and cognate DNA, conformation 1 (RuvC domain resolved) | 分子名称: | DNA (43-MER), RNA (150-MER), RNA-guided DNA endonuclease TnpB | 著者 | Sasnauskas, G, Tamulaitiene, G, Carabias, A, Karvelis, T, Druteika, G, Silanskas, A, Montoya, G, Venclovas, C, Kazlauskas, D, Siksnys, V. | 登録日 | 2022-10-25 | 公開日 | 2023-04-05 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | TnpB structure reveals minimal functional core of Cas12 nuclease family. Nature, 616, 2023
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1J56
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![BU of 1j56 by Molmil](/molmil-images/mine/1j56) | MINIMIZED AVERAGE STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN: MODEL STRUCTURE INCORPORATING ACTIVE SITE CONTACTS | 分子名称: | BERYLLIUM TRIFLUORIDE ION, NITROGEN REGULATION PROTEIN NR(I) | 著者 | Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E. | 登録日 | 2002-01-10 | 公開日 | 2003-08-19 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain Biochemistry, 42, 2003
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