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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1S2Q
 | | Crystal structure of MAOB in complex with N-propargyl-1(R)-aminoindan (Rasagiline) | | Descriptor: | (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine, 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: | 2004-01-09 | | Release date: | 2004-03-30 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class.
J.Med.Chem., 47, 2004
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1S2Y
 | | Crystal structure of MAOB in complex with N-propargyl-1(S)-aminoindan | | Descriptor: | Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, N-PROPARGYL-1(S)-AMINOINDAN | | Authors: | Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2004-01-12 | | Release date: | 2004-03-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class.
J.Med.Chem., 47, 2004
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3ZGI
 | | Crystal structure of the KRT10-binding region domain of the pneumococcal serine rich repeat protein PsrP | | Descriptor: | 1,2-ETHANEDIOL, CELL WALL SURFACE ANCHOR FAMILY PROTEIN, SULFATE ION | | Authors: | Schulte, T, Loefling, J, Mikaelsson, C, Kikhney, A, Hentrich, K, Diamante, A, Ebel, C, Normark, S, Svergun, D, Henriques-Normark, B, Achour, A. | | Deposit date: | 2012-12-17 | | Release date: | 2013-12-25 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Basic Keratin 10-Binding Domain of the Virulence-Associated Pneumococcal Serine-Rich Protein Psrp Adopts a Novel Mscramm Fold.
Open Biol., 4, 2014
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4LL3
 | | Structure of wild-type HIV 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, Protease | | Authors: | Grantz Saskova, K, Rezacova, P, Brynda, J, Kozisek, M, Konvalinka, J. | | Deposit date: | 2013-07-09 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 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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2C6P
 | | Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion | | 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: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | | Deposit date: | 2005-11-11 | | Release date: | 2006-02-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer.
Embo J., 25, 2006
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7V12
 | | Factor XIa in Complex with Compound 2f | | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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3ZGH
 | | Crystal structure of the KRT10-binding region domain of the pneumococcal serine rich repeat protein PsrP | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CELL WALL SURFACE ANCHOR FAMILY PROTEIN, ... | | Authors: | Schulte, T, Loefling, J, Mikaelsson, C, Kikhney, A, Hentrich, K, Diamante, A, Ebel, C, Normark, S, Svergun, D, Henriques-Normark, B, Achour, A. | | Deposit date: | 2012-12-17 | | Release date: | 2014-01-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Basic Keratin 10-Binding Domain of the Virulence-Associated Pneumococcal Serine-Rich Protein Psrp Adopts a Novel Mscramm Fold.
Open Biol., 4, 2014
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7V0Z
 | | Factor XIa in Complex with Compound 2a | | Descriptor: | Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V10
 | | Factor XIa in Complex with Compound 2d | | Descriptor: | CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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4B00
 | | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41) | | Descriptor: | 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1 | | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | | Deposit date: | 2012-06-27 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
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1USZ
 | | SeMet AfaE-3 adhesin from Escherichia Coli | | Descriptor: | AFIMBRIAL ADHESIN AFA-III, CHLORIDE ION, SULFATE ION | | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | Deposit date: | 2003-12-02 | | Release date: | 2004-08-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
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1USQ
 | | Complex of E. Coli DraE adhesin with Chloramphenicol | | Descriptor: | 1,2-ETHANEDIOL, CHLORAMPHENICOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, ... | | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | Deposit date: | 2003-11-27 | | Release date: | 2004-08-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
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1UT1
 | | DraE adhesin from Escherichia Coli | | Descriptor: | 1,2-ETHANEDIOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, SULFATE ION | | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | Deposit date: | 2003-12-02 | | Release date: | 2004-08-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
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1UOT
 | | HUMAN CD55 DOMAINS 3 & 4 | | Descriptor: | COMPLEMENT DECAY-ACCELERATING FACTOR | | Authors: | Williams, P, Chaudhry, Y, Goodfellow, I.G, Billington, J, Spiller, B, Evans, D.J, Lea, S.M. | | Deposit date: | 2003-09-23 | | 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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1UT2
 | | AfaE-3 adhesin from Escherichia Coli | | Descriptor: | AFIMBRIAL ADHESIN AFA-III, SULFATE ION | | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | Deposit date: | 2003-12-02 | | Release date: | 2004-08-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
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3PMW
 | | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | | Descriptor: | DIMETHYL SULFOXIDE, GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Maclean, J.K.F, Jamieson, C, Brown, C.I, Campbell, R.A, Gillen, K.J, Gillespie, J, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | | Deposit date: | 2010-11-18 | | Release date: | 2011-01-12 | | Last modified: | 2023-05-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure based evolution of a novel series of positive modulators of the AMPA receptor.
Bioorg.Med.Chem.Lett., 21, 2011
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1HPT
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1OQ7
 | | The crystal structure of the iron free (Apo-)form of Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean). | | Descriptor: | Acyl-[acyl-carrier protein] desaturase, STRONTIUM ION | | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates
J.Biol.Chem., 278, 2003
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1OQ4
 | | The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Azide. | | Descriptor: | AZIDE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION | | Authors: | Moche, M, Ghoshal, A.K, Shanklin, J, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Azide and acetate complexes plus two iron-depleted crystal structures of the di-iron enzyme delta 9 stearoyl-ACP desaturase- implications for oxygen activation and catalytic intermediates.
J.Biol.Chem., 278, 2003
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3QRG
 | | Crystal structure of antiRSVF Fab B21m | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Fab heavy chain Fd fragment, Fab light chain, ... | | Authors: | Luo, J, Tsui, P, Lewandowski, F, Spurlino, J, Vecchio, F.D. | | Deposit date: | 2011-02-17 | | Release date: | 2011-08-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Crystal structure anti-RSV Fab B21m
To be Published
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1II2
 | | Crystal Structure of Phosphoenolpyruvate Carboxykinase (PEPCK) from Trypanosoma cruzi | | Descriptor: | PHOSPHOENOLPYRUVATE CARBOXYKINASE, SULFATE ION | | Authors: | Trapani, S, Linss, J, Goldenberg, S, Fischer, H, Craievich, A.F, Oliva, G. | | Deposit date: | 2001-04-20 | | Release date: | 2001-11-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the dimeric phosphoenolpyruvate carboxykinase (PEPCK) from Trypanosoma cruzi at 2 A resolution.
J.Mol.Biol., 313, 2001
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5KU8
 | | Crystal structure of CK2 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Ferguson, A.D, Dowling, J. | | Deposit date: | 2016-07-13 | | Release date: | 2017-11-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure of CK2
Not Published
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4M8X
 | | GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions | | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | | Authors: | Grantz saskova, K, Brynda, J, Rezacova, P, Kozisek, M, Konvalinka, J. | | Deposit date: | 2013-08-14 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | GS-8374, a prototype phosphonate-containing inhibitor of HIV-1 protease, effectively inhibits protease mutants with amino acid insertions.
J.Virol., 88, 2014
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1OQ9
 | | The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acetate. | | Descriptor: | ACETATE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION | | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates
J.Biol.Chem., 278, 2003
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