1HPT
 
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4EWO
 | | Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | | Descriptor: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | | Authors: | Borkakoti, N, Lindberg, J, Derbyshire, D. | | Deposit date: | 2012-04-27 | | Release date: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.
Bioorg.Med.Chem.Lett., 22, 2012
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4EXG
 | | Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | | Descriptor: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | | Authors: | Borkakoti, N, Lindberg, J, Derbyshire, D. | | Deposit date: | 2012-04-30 | | Release date: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.
Bioorg.Med.Chem.Lett., 22, 2012
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4FPR
 | | Structure of a fungal protein | | Descriptor: | Avirulence Effector AvrLm4-7 | | Authors: | Blondeau, K, Blaise, F, Graille, M, Linglin, J, Ollivier, B, Labarde, A, Doizy, A, Daverdin, G, Balesdent, M.H, Rouxel, T, van Tilbeurgh, H, Fudal, I. | | Deposit date: | 2012-06-22 | | Release date: | 2013-12-11 | | Last modified: | 2022-08-03 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Crystal structure of the effector AvrLm4-7 of Leptosphaeria maculans reveals insights into its translocation into plant cells and recognition by resistance proteins.
Plant J., 83, 2015
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1PSW
 | | Structure of E. coli ADP-heptose lps heptosyltransferase II | | Descriptor: | ADP-HEPTOSE LPS HEPTOSYLTRANSFERASE II | | Authors: | Kniewel, R, Buglino, J, Solorzano, V, Wu, J, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2003-06-21 | | Release date: | 2003-07-08 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of E. coli ADP-heptose lps heptosyltransferase II
To be Published
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4FPQ
 | | Structure of a fungal protein | | Descriptor: | Avirulence Effector AvrLm4-7 | | Authors: | Blondeau, K, Blaise, F, Graille, M, Linglin, J, Ollivier, B, Labarde, A, Doizy, A, Daverdin, G, Balesdent, MH, Rouxel, T, van Tilbeurgh, H, Fudal, I. | | Deposit date: | 2012-06-22 | | Release date: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the effector AvrLm4-7 of Leptosphaeria maculans reveals insights into its translocation into plant cells and recognition by resistance proteins.
Plant J., 83, 2015
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1IZI
 | | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | | Descriptor: | CHLORIDE ION, proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | | Deposit date: | 2002-10-02 | | Release date: | 2002-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
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3RBU
 | | N-terminally AviTEV-tagged Human Glutamate Carboxypeptidase II in complex with 2-PMPA | | Descriptor: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tykvart, J, Sacha, P, Barinka, C, Starkova, J, Knedlik, T, Lubkowski, J, Konvalinka, J. | | Deposit date: | 2011-03-30 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Efficient and versatile one-step affinity purification of in vivo biotinylated proteins: Expression, characterization and structure analysis of recombinant human glutamate carboxypeptidase II.
Protein Expr.Purif., 82, 2012
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1JQM
 | | Fitting of L11 protein and elongation factor G (EF-G) in the cryo-em map of e. coli 70S ribosome bound with EF-G, GDP and fusidic acid | | Descriptor: | 50S Ribosomal protein L11, Elongation Factor G | | Authors: | Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J. | | Deposit date: | 2001-08-07 | | Release date: | 2001-09-07 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (18 Å) | | Cite: | Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation.
J.Mol.Biol., 311, 2001
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1H2Q
 | | Human CD55 domains 3 & 4 | | Descriptor: | COMPLEMENT DECAY-ACCELERATING FACTOR | | Authors: | Williams, P, Chaudhry, Y, Goodfellow, I.G, Billington, J, Powell, R, Spiller, O.B, Evans, D.J, Lea, S.M. | | Deposit date: | 2002-08-13 | | Release date: | 2003-09-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mapping Cd55 Function. The Structure of Two Pathogen-Binding Domains at 1.7 A
J.Biol.Chem., 278, 2003
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1JQS
 | | Fitting of L11 protein and elongation factor G (domain G' and V) in the cryo-em map of E. coli 70S ribosome bound with EF-G and GMPPCP, a nonhydrolysable GTP analog | | Descriptor: | 50S Ribosomal protein L11, Elongation Factor G | | Authors: | Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J. | | Deposit date: | 2001-08-07 | | Release date: | 2001-09-07 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (18 Å) | | Cite: | Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation.
J.Mol.Biol., 311, 2001
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1JQT
 | | Fitting of L11 protein in the low resolution cryo-EM map of E.coli 70S ribosome | | Descriptor: | 50S Ribosomal protein L11 | | Authors: | Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J. | | Deposit date: | 2001-08-07 | | Release date: | 2001-09-07 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (18 Å) | | Cite: | Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation.
J.Mol.Biol., 311, 2001
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1IZH
 | | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | | Descriptor: | proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | | Deposit date: | 2002-10-02 | | Release date: | 2002-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
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3TTP
 | | Structure of multiresistant HIV-1 protease in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Saskova, K.G, Brynda, J, Kozisek, M, Konvalinka, J, Rezacova, P. | | Deposit date: | 2011-09-15 | | Release date: | 2012-09-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Thermodynamic and structural analysis of HIV protease resistance to darunavir - analysis of heavily mutated patient-derived HIV-1 proteases.
Febs J., 281, 2014
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2CIJ
 | | membrane-bound glutamate carboxypeptidase II (GCPII) with bound methionine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Barinka, C, Plechanovova, A, Rulisek, L, Mlcochova, P, Majer, P, Slusher, B.S, Hilgenfeld, R, Mesters, J.R, Konvalinka, J. | | Deposit date: | 2006-03-21 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Glutamate Carboxypeptidase II
Handbook of Metalloproteins, 4, 2011
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1LZQ
 | | Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with an ethylenamine peptidomimetic inhibitor BOC-PHE-PSI[CH2CH2NH]-PHE-GLU-PHE-NH2 | | Descriptor: | BETA-MERCAPTOETHANOL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | | Authors: | Skalova, T, Hasek, J, Dohnalek, J, Petrokova, H, Buchtelova, E, Soucek, M, Majer, P, Uhlikova, T, Konvalinka, J. | | Deposit date: | 2002-06-11 | | Release date: | 2003-04-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Ethylenamine Inhibitor Binds Tightly to Both Wild Type and Mutant HIV-1 Proteases. Structure and Energy Study
J.Med.Chem., 46, 2003
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1MI6
 | | Docking of the modified RF2 X-ray structure into the Low Resolution Cryo-EM map of RF2 E.coli 70S Ribosome | | Descriptor: | peptide chain release factor RF-2 | | Authors: | Rawat, U.B.S, Zavialov, A.V, Sengupta, J, Valle, M, Grassucci, R.A, Linde, J, Vestergaard, B, Ehrenberg, M, Frank, J. | | Deposit date: | 2002-08-22 | | Release date: | 2003-01-14 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (12.8 Å) | | Cite: | A cryo-electron microscopic study of ribosome-bound termination factor RF2
Nature, 421, 2003
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3QQ9
 | | Crystal structure of FAB fragment of anti-human RSV (RESPIRATORY SYNCYTIAL VIRUS) F Protein MAB 101F | | Descriptor: | 101F HEAVY CHAIN, 101F LIGHT CHAIN, SULFATE ION | | Authors: | Luo, J, Tsui, P, Spurlino, J, Lewansowski, F, Heavner, G.A, Del Vecchio, F. | | Deposit date: | 2011-02-15 | | Release date: | 2011-08-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of Fab 101F
To be Published
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3T11
 | | Dimeric inhibitor of HIV-1 protease. | | Descriptor: | (3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Brynda, J, Rezacova, P, Saskova, G.K, Kozisek, M, Konvalinka, J. | | Deposit date: | 2011-07-21 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Dimeric inhibitor of HIV-1 protease.
To be Published
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3T3C
 | | Structure of HIV PR resistant patient derived mutant (comprising 22 mutations) in complex with DRV | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, HIV-1 protease, ... | | Authors: | Rezacova, P, Kozisek, M, Konvalinka, J, Saskova, K.G. | | Deposit date: | 2011-07-25 | | Release date: | 2012-06-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mutations in HIV-1 gag and pol Compensate for the Loss of Viral Fitness Caused by a Highly Mutated Protease.
Antimicrob.Agents Chemother., 56, 2012
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2C64
 | | MAO inhibition by rasagiline analogues | | Descriptor: | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)-PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM, AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2005-11-07 | | Release date: | 2006-01-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Binding of Rasagiline-Related Inhibitors to Human Monoamine Oxidases: A Kinetic and Crystallographic Analysis.
J.Med.Chem., 48, 2005
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2C65
 | | MAO inhibition by rasagiline analogues | | Descriptor: | (1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2005-11-07 | | Release date: | 2006-01-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Binding of Rasagiline-Related Inhibitors to Human Monoamine Oxidases: A Kinetic and Crystallographic Analysis.
J.Med.Chem., 48, 2005
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2BNJ
 | | The xylanase TA from Thermoascus aurantiacus utilizes arabinose decorations of xylan as significant substrate specificity determinants. | | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ENDO-1,4-BETA-XYLANASE, alpha-L-arabinofuranose-(1-3)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Vardakou, M, Murray, J.W, Flint, J, Christakopoulos, P, Lewis, R.J, Gilbert, H.J. | | Deposit date: | 2005-03-25 | | Release date: | 2005-09-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Family 10 Thermoascus Aurantiacus Xylanase Utilizes Arabinose Decorations of Xylan as Significant Substrate Specificity Determinants.
J.Mol.Biol., 352, 2005
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2M7P
 | | RXFP1 utilises hydrophobic moieties on a signalling surface of the LDLa module to mediate receptor activation | | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor, Relaxin receptor 1 | | Authors: | Kong, R.CK, Petrie, E.J, Mohanty, B, Ling, J, Lee, J.C.Y, Gooley, P.R, Bathgate, R.A.D. | | Deposit date: | 2013-04-29 | | Release date: | 2013-08-14 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The relaxin receptor (RXFP1) utilizes hydrophobic moieties on a signaling surface of its N-terminal low density lipoprotein class A module to mediate receptor activation.
J.Biol.Chem., 288, 2013
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4L1D
 | | Voltage-gated sodium channel beta3 subunit Ig domain | | Descriptor: | Sodium channel subunit beta-3 | | Authors: | Namadurai, S, Weimhofer, M, Rajappa, R, Stott, K, Klingauf, J, Chirgadze, D.Y, Jackson, A.P. | | Deposit date: | 2013-06-03 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure and Molecular Imaging of the Nav Channel beta 3 Subunit Indicates a Trimeric Assembly.
J.Biol.Chem., 289, 2014
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