4EJ5
 
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A wild-type | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, CARBONATE ION, ... | | Authors: | Stura, E.A, Vera, L, Dive, V. | | Deposit date: | 2012-04-06 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
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3E1I
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4E4P
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4ELC
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 | | Descriptor: | (2S)-2-hydroxybutanedioic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Botulinum neurotoxin A light chain, ... | | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V. | | Deposit date: | 2012-04-10 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
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4ELB
 | | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ... | | Authors: | Bourne, C.R, Barrow, W.W. | | Deposit date: | 2012-04-10 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
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4ELF
 | | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl ]prop-2-en-1-one, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bourne, C.R, Barrow, W.W. | | Deposit date: | 2012-04-10 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
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4ELE
 | | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en -1-one, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bourne, C.R, Barrow, W.W. | | Deposit date: | 2012-04-10 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
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4ELG
 | | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2 -en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ... | | Authors: | Bourne, C.R, Barrow, W.W. | | Deposit date: | 2012-04-10 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
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3WAB
 | | Carboxypeptidase B in complex with DD2 | | Descriptor: | (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ... | | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | | Deposit date: | 2013-05-01 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.154 Å) | | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
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3WC7
 | | Carboxypeptidase B in complex with EF6265 | | Descriptor: | (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid, Carboxypeptidase B, ZINC ION | | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | | Deposit date: | 2013-05-24 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
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4G69
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3DZQ
 | | Human EphA3 kinase domain in complex with inhibitor AWL-II-38.3 | | Descriptor: | EPH receptor A3, N-[2-methyl-5-({[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide | | Authors: | Walker, J.R, Syeda, F, Gray, N, Mansoor, W, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-07-30 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Kinase Domain of Human Ephrin Type-A Receptor 3 (Epha3) in Complex with ALW-II-38-3.
To be Published
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3WC5
 | | Carboxypeptidase B in complex with DD9 | | Descriptor: | (2R)-7-amino-2-(selanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ... | | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | | Deposit date: | 2013-05-24 | | Release date: | 2013-10-02 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
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3WC6
 | | Carboxypeptidase B in complex with 2nd zinc | | Descriptor: | ACETATE ION, Carboxypeptidase B, ZINC ION | | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | | Deposit date: | 2013-05-24 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
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2KZG
 | | A Transient and Low Populated Protein Folding Intermediate at Atomic Resolution | | Descriptor: | Pre-mRNA-processing factor 40 homolog A | | Authors: | Korzhnev, D.M, Religa, T.L, Banachewicz, W, Fersht, A.R, Kay, L.E. | | Deposit date: | 2010-06-17 | | Release date: | 2010-09-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A transient and low-populated protein-folding intermediate at atomic resolution.
Science, 329, 2010
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2L39
 | | Mouse prion protein fragment 121-231 AT 37 C | | Descriptor: | Major prion protein | | Authors: | Christen, B, Damberger, F.F, Perez, D.R, Hornemann, S, Wuthrich, K. | | Deposit date: | 2010-09-10 | | Release date: | 2011-08-10 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Cellular prion protein conformation and function.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2JBP
 | | Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) | | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP KINASE-ACTIVATED PROTEIN KINASE 2 | | Authors: | Hillig, R.C, Eberspaecher, U, Monteclaro, F, Huber, M, Nguyen, D, Mengel, A, Muller-Tiemann, B, Egner, U. | | Deposit date: | 2006-12-09 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Structural basis for a high affinity inhibitor bound to protein kinase MK2.
J. Mol. Biol., 369, 2007
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2JEV
 | | Crystal structure of human spermine,spermidine acetyltransferase in complex with a bisubstrate analog (N1-acetylspermine-S-CoA). | | Descriptor: | (3R)-27-AMINO-3-HYDROXY-2,2-DIMETHYL-4,8,14-TRIOXO-12-THIA-5,9,15,19,24-PENTAAZAHEPTACOS-1-YL [(2S,3R,4S,5S)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, DIAMINE ACETYLTRANSFERASE 1 | | Authors: | Hegde, S.S, Chandler, J, Vetting, M.W, Yu, M, Blanchard, J.S. | | Deposit date: | 2007-01-23 | | Release date: | 2007-06-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanistic and Structural Analysis of Human Spermidine/Spermine N(1)-Acetyltransferase.
Biochemistry, 46, 2007
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2JK8
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2J4B
 | | Crystal structure of Encephalitozoon cuniculi TAF5 N-terminal domain | | Descriptor: | TRANSCRIPTION INITIATION FACTOR TFIID SUBUNIT 72/90-100 KDA | | Authors: | Romier, C, James, N, Birck, C, Cavarelli, J, Vivares, C, Collart, M.A, Moras, D. | | Deposit date: | 2006-08-28 | | Release date: | 2007-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure, Biochemical and Genetic Characterization of Yeast and E. Cuniculi Taf(II)5 N-Terminal Domain: Implications for TFIID Assembly.
J.Mol.Biol., 368, 2007
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2J0V
 | | The crystal structure of Arabidopsis thaliana RAC7-ROP9: the first RAS superfamily GTPase from the plant kingdom | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAC-LIKE GTP-BINDING PROTEIN ARAC7 | | Authors: | Sormo, C.G, Leiros, I, Brembu, T, Winge, P, Os, V, Bones, A.M. | | Deposit date: | 2006-08-07 | | Release date: | 2006-10-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The Crystal Structure of Arabidopsis Thaliana Rac7/Rop9: The First Ras Superfamily Gtpase from the Plant Kingdom.
Phytochemistry, 67, 2006
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2MKM
 | | G-triplex structure and formation propensity | | Descriptor: | DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3') | | Authors: | Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A. | | Deposit date: | 2014-02-10 | | Release date: | 2014-11-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
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2MKO
 | | G-triplex structure and formation propensity | | Descriptor: | DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3'), POTASSIUM ION | | Authors: | Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A. | | Deposit date: | 2014-02-11 | | Release date: | 2014-11-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
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2JMO
 | | IBR domain of Human Parkin | | Descriptor: | Parkin, ZINC ION | | Authors: | Beasley, S.A, Hristova, V.A, Shaw, G.S. | | Deposit date: | 2006-11-24 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Structure of the Parkin in-between-ring domain provides insights for E3-ligase dysfunction in autosomal recessive Parkinson's disease.
Proc.Natl.Acad.Sci.USA, 104, 2007
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2KE9
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