3CPO
 
 | | Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol | | 分子名称: | 2-fluorophenol, Delta(5)-3-ketosteroid isomerase | | 著者 | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G. | | 登録日 | 2008-03-31 | | 公開日 | 2008-09-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole
J.Am.Chem.Soc., 130, 2008
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4ETB
 | | lysozyme, room temperature, 200 kGy dose | | 分子名称: | CHLORIDE ION, Lysozyme C | | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | 登録日 | 2012-04-24 | | 公開日 | 2012-06-13 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.908 Å) | | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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2D95
 | | LOW-TEMPERATURE STUDY OF THE A-DNA FRAGMENT D(GGGCGCCC) | | 分子名称: | DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*C)-3') | | 著者 | Eisenstein, M, Hope, H, Haran, T.E, Frolow, F, Shakked, Z, Rabinovich, D. | | 登録日 | 1993-07-13 | | 公開日 | 1994-01-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Low-temperature study of the A-DNA fragment d(GGGCGCCC)
ACTA CRYSTALLOGR.,SECT.B, 44, 1988
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4ETE
 | | Lysozyme, room-temperature, rotating anode, 0.0021 MGy | | 分子名称: | CHLORIDE ION, Lysozyme C | | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | 登録日 | 2012-04-24 | | 公開日 | 2012-06-13 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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2DRN
 | | Docking and dimerization domain (D/D) of the Type II-alpha regulatory subunity of protein kinase A (PKA) in complex with a peptide from an A-kinase anchoring protein | | 分子名称: | 24-residues peptide from an a-kinase anchoring protein, cAMP-dependent protein kinase type II-alpha regulatory subunit | | 著者 | Newlon, M.G, Roy, M, Morikis, D, Hausken, Z.E, Coghlan, V, Scott, J.D, Jennings, P.A. | | 登録日 | 2006-06-11 | | 公開日 | 2006-08-29 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A novel mechanism of PKA anchoring revealed by solution structures of anchoring complexes.
Embo J., 20, 2001
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2QB3
 | | Structural Studies Reveal the Inactivation of E. coli L-Aspartate Aminotransferase by (s)-4,5-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 7.5) | | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | 著者 | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | 登録日 | 2007-06-15 | | 公開日 | 2007-12-04 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
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2MV2
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2E8Y
 | | Crystal structure of pullulanase type I from Bacillus subtilis str. 168 | | 分子名称: | ACETATE ION, AmyX protein, CALCIUM ION, ... | | 著者 | Mikami, B, Malle, D, Utsumi, S, Iwamoto, H, Katsuya, Y. | | 登録日 | 2007-01-24 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Crystal structure of pullulanase type I from Bacillus subtilis str. 168
in complex with maltose and alpha-cyclodextrin
To be Published
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3PZZ
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2QBT
 | | Structural Studies Reveal The Inactivation of E. coli L-aspartate aminotransferase by (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 8.0) | | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | 著者 | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | 登録日 | 2007-06-18 | | 公開日 | 2007-09-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Inactivation of Escherichia coli l-Aspartate Aminotransferase by (S)-4-Amino-4,5-dihydro-2-thiophenecarboxylic Acid Reveals "A Tale of Two Mechanisms".
Biochemistry, 46, 2007
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2QA3
 | | Structural Studies Reveal the Inactivation of E. coli L-aspartate aminotransferase by (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via two mechanisms (at pH6.5) | | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | 著者 | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | 登録日 | 2007-06-14 | | 公開日 | 2007-12-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
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2MOV
 | | Receptor for Advanced Glycation End Products (RAGE) Specifically Recognizes Methylglyoxal Derived AGEs. | | 分子名称: | Advanced glycosylation end product-specific receptor, N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine | | 著者 | Shekhtman, A, Xue, J, Ray, R, Singer, D, Bohme, D, Burz, D.S, Rai, V, Hoffman, R. | | 登録日 | 2014-05-05 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Receptor for Advanced Glycation End Products (RAGE) Specifically Recognizes Methylglyoxal-Derived AGEs.
Biochemistry, 53, 2014
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2MWH
 | | NMR solution structure of ligand-free OAA | | 分子名称: | Anti-HIV lectin OAA | | 著者 | Lee, D, Carneiro, M.G, Koharudin, L.M, Griesinger, C, Gronenborn, A.M, Ban, D, Sabo, T, Trigo-Mourino, P, Mazur, A. | | 登録日 | 2014-11-10 | | 公開日 | 2015-04-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Sampling of Glycan-Bound Conformers by the Anti-HIV Lectin Oscillatoria agardhii agglutinin in the Absence of Sugar.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2FAW
 | | crystal structure of papaya glutaminyl cyclase | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ZINC ION, ... | | 著者 | Wintjens, R, Belrhali, H, Clantin, B, Azarkan, M, Bompard, C, Baeyens-Volant, D, Looze, Y, Villeret, V. | | 登録日 | 2005-12-08 | | 公開日 | 2006-10-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of papaya glutaminyl cyclase, an archetype for plant and bacterial glutaminyl cyclases.
J.Mol.Biol., 357, 2006
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2FTY
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2FVK
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4BWR
 | | Crystal structure of c5321: a protective antigen present in uropathogenic Escherichia coli strains displaying an SLR fold | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Urosev, D, Ferrer-Navarro, M, Pastorello, I, Cartocci, E, Costenaro, L, Zhulenkovs, D, Marechal, J.-D, Leonchiks, A, Reverter, D, Serino, L, Soriani, M, Daura, X. | | 登録日 | 2013-07-04 | | 公開日 | 2013-07-24 | | 最終更新日 | 2013-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying an Slr Fold.
Bmc Struct.Biol., 13, 2013
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1DBR
 | | HYPOXANTHINE GUANINE XANTHINE | | 分子名称: | HYPOXANTHINE GUANINE XANTHINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION | | 著者 | Schumacher, M.A, Carter, D, Roos, D, Ullman, B, Brennan, R.G. | | 登録日 | 1996-02-13 | | 公開日 | 1997-12-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structures of Toxoplasma gondii HGXPRTase reveal the catalytic role of a long flexible loop.
Nat.Struct.Biol., 3, 1996
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7M71
 | | SARS-CoV-2 Spike:5A6 Fab complex I focused refinement | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 5A6 Fab heavy chain, Antibody 5A6 Fab light chain, ... | | 著者 | Asarnow, D, Cheng, Y. | | 登録日 | 2021-03-26 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
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7M7B
 | | SARS-CoV-2 Spike:Fab 3D11 complex focused refinement | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 3D11 heavy chain, Antibody Fab 3D11 light chain, ... | | 著者 | Asarnow, D, Cheng, Y. | | 登録日 | 2021-03-27 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-06-23 | | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | | 主引用文献 | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
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5DQC
 | | Co-crystal of BACE1 with compound 0211 | | 分子名称: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | 著者 | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | | 登録日 | 2015-09-14 | | 公開日 | 2016-02-17 | | 最終更新日 | 2016-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.4651 Å) | | 主引用文献 | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
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7R7M
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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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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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8JTC
 | | Human VMAT2 complex with reserpine | | 分子名称: | Synaptic vesicular amine transporter, reserpine | | 著者 | Jiang, D.H, Wu, D. | | 登録日 | 2023-06-21 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | | 主引用文献 | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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