3CPO
 
 | | Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol | | Descriptor: | 2-fluorophenol, Delta(5)-3-ketosteroid isomerase | | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G. | | Deposit date: | 2008-03-31 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | 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 | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | 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. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.908 Å) | | Cite: | 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) | | Descriptor: | DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*C)-3') | | Authors: | Eisenstein, M, Hope, H, Haran, T.E, Frolow, F, Shakked, Z, Rabinovich, D. | | Deposit date: | 1993-07-13 | | Release date: | 1994-01-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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 | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | 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. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | 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 | | Descriptor: | 24-residues peptide from an a-kinase anchoring protein, cAMP-dependent protein kinase type II-alpha regulatory subunit | | Authors: | Newlon, M.G, Roy, M, Morikis, D, Hausken, Z.E, Coghlan, V, Scott, J.D, Jennings, P.A. | | Deposit date: | 2006-06-11 | | Release date: | 2006-08-29 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | 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) | | Descriptor: | 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, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-15 | | Release date: | 2007-12-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 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 | | Descriptor: | ACETATE ION, AmyX protein, CALCIUM ION, ... | | Authors: | Mikami, B, Malle, D, Utsumi, S, Iwamoto, H, Katsuya, Y. | | Deposit date: | 2007-01-24 | | Release date: | 2008-02-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | 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) | | Descriptor: | 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, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-18 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 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) | | Descriptor: | 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, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-14 | | Release date: | 2007-12-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 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. | | Descriptor: | Advanced glycosylation end product-specific receptor, N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine | | Authors: | Shekhtman, A, Xue, J, Ray, R, Singer, D, Bohme, D, Burz, D.S, Rai, V, Hoffman, R. | | Deposit date: | 2014-05-05 | | Release date: | 2014-06-25 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | 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 | | Descriptor: | Anti-HIV lectin OAA | | Authors: | Lee, D, Carneiro, M.G, Koharudin, L.M, Griesinger, C, Gronenborn, A.M, Ban, D, Sabo, T, Trigo-Mourino, P, Mazur, A. | | Deposit date: | 2014-11-10 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | 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 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ZINC ION, ... | | Authors: | Wintjens, R, Belrhali, H, Clantin, B, Azarkan, M, Bompard, C, Baeyens-Volant, D, Looze, Y, Villeret, V. | | Deposit date: | 2005-12-08 | | Release date: | 2006-10-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | 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. | | Deposit date: | 2013-07-04 | | Release date: | 2013-07-24 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | 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 | | Descriptor: | HYPOXANTHINE GUANINE XANTHINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION | | Authors: | Schumacher, M.A, Carter, D, Roos, D, Ullman, B, Brennan, R.G. | | Deposit date: | 1996-02-13 | | Release date: | 1997-12-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 5A6 Fab heavy chain, Antibody 5A6 Fab light chain, ... | | Authors: | Asarnow, D, Cheng, Y. | | Deposit date: | 2021-03-26 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | 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 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 3D11 heavy chain, Antibody Fab 3D11 light chain, ... | | Authors: | Asarnow, D, Cheng, Y. | | Deposit date: | 2021-03-27 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-17 | | Last modified: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2.4651 Å) | | Cite: | 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 | | Descriptor: | (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 | | Authors: | 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. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | 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 | | Descriptor: | (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, ... | | Authors: | 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. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 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 | | Descriptor: | Synaptic vesicular amine transporter, reserpine | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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