4JRU
 
 | | Structure of haze forming proteins in white wines: Vitis vinifera thaumatin-like proteins | | Descriptor: | GLYCEROL, thaumatin-like protein | | Authors: | Marangon, M, Menz, R.I, Waters, E.J, Van Sluyter, S.C. | | Deposit date: | 2013-03-22 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of Haze Forming Proteins in White Wines: Vitis vinifera Thaumatin-Like Proteins.
Plos One, 9, 2014
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5A09
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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4Q60
 | | Crystal structure of a 4-hydroxyproline epimerase from Burkholderia Multivorans atcc 17616, target EFI-506586, open form, with bound pyrrole-2-carboxylate | | Descriptor: | GLYCEROL, PROLINE RACEMASE, PYRROLE-2-CARBOXYLATE | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Sojitra, S, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-04-18 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | CRYSTAL STRUCTURE OF PROLINE RACEMASE Bmul_4447 FROM Burkholderia multivorans, TARGET EFI-506586
To be Published
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3G2P
 | | Crystal Structure of the Glycopeptide N-methyltransferase MtfA complexed with (S)-adenosyl-L-homocysteine (SAH) | | Descriptor: | PCZA361.24, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2009-01-31 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure and function of the glycopeptide N-methyltransferase MtfA, a tool for the biosynthesis of modified glycopeptide antibiotics.
Chem.Biol., 16, 2009
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4JBD
 | | Crystal structure of Pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group I2, bound citrate | | Descriptor: | CITRIC ACID, Proline racemase | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-19 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of pput_1285, a putative hydroxyproline epimerase from pseudomonas putida f1 (target efi-506500), open form, space group i2, bound citrate
To be Published
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4Q7N
 | | Crystal structure of the complex of Buffalo Signalling protein SPB-40 with 4-N-trimethylaminobutyraldehyde at 1.79 Angstrom Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, N,N,N-trimethyl-4-oxobutan-1-aminium | | Authors: | Chaudhary, A, Tyagi, T.K, Singh, A, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-04-25 | | Release date: | 2014-05-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of the complex of Buffalo Signalling protein SPB-40 with 4-N-trimethylaminobutyraldehyde at 1.79 Angstrom Resolution
To be Published
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3R91
 | | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. | | Descriptor: | (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I. | | Deposit date: | 2011-03-24 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.579 Å) | | Cite: | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.
Bioorg.Med.Chem.Lett., 21, 2011
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3R9A
 | | Human alanine-glyoxylate aminotransferase in complex with the TPR domain of human PEX5P | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peroxisomal targeting signal 1 receptor, Serine--pyruvate aminotransferase | | Authors: | Fodor, K, Wilmanns, M. | | Deposit date: | 2011-03-25 | | Release date: | 2011-05-11 | | Last modified: | 2012-05-02 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular requirements for peroxisomal targeting of alanine-glyoxylate aminotransferase as an essential determinant in primary hyperoxaluria type 1
Plos Biol., 10, 2012
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4JCG
 | | Recombinant wild type Nitrosomonas europaea cytochrome c552 | | Descriptor: | Cytochrome c-552, HEME C | | Authors: | Wedekind, J.E, Can, M, Krucinska, J, Bren, K.L. | | Deposit date: | 2013-02-21 | | Release date: | 2013-08-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural Characterization of Nitrosomonas europaea Cytochrome c-552 Variants with Marked Differences in Electronic Structure.
Chembiochem, 14, 2013
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6I2R
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), mutant R802A, in complex with GarA | | Descriptor: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | | Authors: | Wagner, T, Bellinzoni, M, Alzari, P.M. | | Deposit date: | 2018-11-01 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
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6TY4
 | | FAK structure with AMP-PNP from single particle analysis of 2D crystals | | Descriptor: | Focal adhesion kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Acebron, I, Righetto, R, Biyani, N, Chami, M, Boskovic, J, Stahlberg, H, Lietha, D. | | Deposit date: | 2020-01-15 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (5.96 Å) | | Cite: | Structural basis of Focal Adhesion Kinase activation on lipid membranes.
Embo J., 39, 2020
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4Q82
 | | Crystal Structure of Phospholipase/Carboxylesterase from Haliangium ochraceum | | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Hatzos-Skintges, C, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-04-25 | | Release date: | 2014-05-14 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Crystal Structure of Phospholipase/Carboxylesterase from Haliangium ochraceum
To be Published
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4Q8N
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6TUU
 | | Leishmania infantum Rad51 surrogate LiRadA10 in complex with 5,6,7,8-tetrahydro-2-naphthoic acid | | Descriptor: | 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid, CHLORIDE ION, DNA repair and recombination protein RadA, ... | | Authors: | Pantelejevs, T, Hyvonen, M. | | Deposit date: | 2020-01-08 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Development of dedicated crystallographic systems for structure-guided drug discovery
To Be Published
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3RDZ
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6INW
 | | A Pericyclic Reaction enzyme | | Descriptor: | O-methyltransferase lepI, S-ADENOSYLMETHIONINE | | Authors: | Feng, Y, Chang, M, Wang, H, Liu, Z, Zhou, Y. | | Deposit date: | 2018-10-28 | | Release date: | 2019-07-03 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Crystal structure of the multifunctional SAM-dependent enzyme LepI provides insights into its catalytic mechanism.
Biochem.Biophys.Res.Commun., 515, 2019
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4Q94
 | | human RPRD1B CID in complex with a RPB1-CTD derived Ser2 phosphorylated peptide | | Descriptor: | Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, UNKNOWN ATOM OR ION, ... | | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-04-29 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
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1KE8
 | | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | | Descriptor: | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | | Deposit date: | 2001-11-14 | | Release date: | 2002-05-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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3G2G
 | | S437Y Mutant of human muscle pyruvate kinase, isoform M2 | | Descriptor: | Pyruvate kinase isozymes M1/M2, SULFATE ION, UNKNOWN ATOM OR ION | | Authors: | Hong, B, Dimov, S, Allali-Hassani, A, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, c, Weigelt, J, Bochkarev, A, Vedadi, M, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-01-31 | | Release date: | 2009-03-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | S437Y Mutant of human muscle pyruvate kinase, isoform M2
To be Published
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6I3Z
 | | Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin in complex with its antigen | | Descriptor: | Alpha-1-antitrypsin, Fab 2H2 heavy chain, Fab 2H2 light chain, ... | | Authors: | Laffranchi, M, Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Fra, A, Lomas, D.A, Irving, J.A. | | Deposit date: | 2018-11-08 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Intrahepatic heteropolymerization of M and Z alpha-1-antitrypsin.
JCI Insight, 5, 2020
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1KEF
 | | PDZ1 of SAP90 | | Descriptor: | synapse associated protein-90 | | Authors: | Piserchio, A, Pellegrini, M, Mehta, S, Blackman, S.M, Garcia, E.P, Marshall, J, Mierke, D.F. | | Deposit date: | 2001-11-15 | | Release date: | 2002-03-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The PDZ1 domain of SAP90. Characterization of structure and binding.
J.Biol.Chem., 277, 2002
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5REF
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z24758179 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, methyl 3-(methylsulfonylamino)benzoate | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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4Q8T
 | | tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-[(2-phenylethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Neeb, M, Heine, A, Klebe, G. | | Deposit date: | 2014-04-28 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Addressing a New Subpocket of TGT by Elongated 2-Amino-lin-benzoguanines
To be Published
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5RET
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102269 | | Descriptor: | 1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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5RFC
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z979145504 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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