5YKD
 
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5YIB
 | | Crystal Structure of KNI-10743 bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | (4R)-3-[(2S,3S)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ... | | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | | Deposit date: | 2017-10-03 | | Release date: | 2018-07-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
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5YID
 | | Crystal Structure of KNI-10395 bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | | Deposit date: | 2017-10-04 | | Release date: | 2018-07-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
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1VHJ
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6RA6
 | | Ferric murine neuroglobin Gly-loop44-47/F106A mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Vallone, B. | | Deposit date: | 2019-04-05 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lack of orientation selectivity of the heme insertion in murine neuroglobin revealed by resonance Raman spectroscopy.
Febs J., 287, 2020
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5YRX
 | | Crystal structure of a hypothetical protein Rv3716c from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Nucleoid-associated protein Rv3716c | | Authors: | Deka, G, Gopalan, A, Prabhavathi, M, Savithri, H.S, Raja, A, Murthy, M.R.N. | | Deposit date: | 2017-11-10 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and biophysical characterization of Rv3716c, a hypothetical protein from Mycobacterium tuberculosis
Biochem. Biophys. Res. Commun., 495, 2018
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5N0E
 | | Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | | Descriptor: | 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2017-02-02 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
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5N0I
 | | Crystal structure of NDM-1 in complex with beta-mercaptoethanol - new refinement | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, King, D.T, Strynadka, N.C.J. | | Deposit date: | 2017-02-03 | | Release date: | 2017-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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5YWG
 | | Crystal structure of Arabidopsis thaliana HPPD complexed with Mesotrione | | Descriptor: | 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Lin, H.Y, Yang, W.C. | | Deposit date: | 2017-11-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
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6LXG
 | | NMR solution structure of regulatory ACT domain of the Mycobacterium tuberculosis Rel protein | | Descriptor: | GTP pyrophosphokinase | | Authors: | Shin, J, Singal, B, Manimekalai, M.S.S, Gruber, G. | | Deposit date: | 2020-02-11 | | Release date: | 2020-11-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Atomic structure of, and valine binding to the regulatory ACT domain of the Mycobacterium tuberculosis Rel protein.
Febs J., 288, 2021
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5NBK
 | | NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data | | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2017-03-02 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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5BPX
 | | Structure of the 2,4'-dihydroxyacetophenone dioxygenase from Alcaligenes sp. 4HAP. | | Descriptor: | 2,4'-dihydroxyacetophenone dioxygenase, ACETATE ION, FE (III) ION, ... | | Authors: | Guo, J, Erskine, P, Wood, S.P, Cooper, J.B. | | Deposit date: | 2015-05-28 | | Release date: | 2015-06-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Extension of resolution and oligomerization-state studies of 2,4'-dihydroxyacetophenone dioxygenase from Alcaligenes sp. 4HAP.
Acta Crystallogr.,Sect.F, 71, 2015
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6MVH
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6ROU
 | | REP related 18-mer DNA | | Descriptor: | REP related 18-mer DNA from H. parasuis, STRONTIUM ION | | Authors: | Kolenko, P, Svoboda, J, Schneider, B. | | Deposit date: | 2019-05-13 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
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5TI8
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1VIU
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5LIV
 | | Crystal structure of myxobacterial CYP260A1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 CYP260A1,Cytochrome P450 CYP260A1, DIMETHYL SULFOXIDE, ... | | Authors: | Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. | | Deposit date: | 2016-07-15 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural characterization of CYP260A1 from Sorangium cellulosum to investigate the 1 alpha-hydroxylation of a mineralocorticoid.
FEBS Lett., 590, 2016
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5YUN
 | | Crystal structure of SSB complexed with myc | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Single-stranded DNA-binding protein | | Authors: | Huang, Y.H, Huang, C.Y. | | Deposit date: | 2017-11-22 | | Release date: | 2018-10-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Crystal structure of SSB complexed with inhibitor myricetin.
Biochem. Biophys. Res. Commun., 504, 2018
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5XX3
 | | A BPTI-[5,55] variant with C14GA38G mutations | | Descriptor: | Pancreatic trypsin inhibitor, SULFATE ION | | Authors: | Islam, M.M. | | Deposit date: | 2017-07-01 | | Release date: | 2018-07-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Hydrophobic surface residues can stabilize a protein through improved water-protein interactions.
Febs J., 2019
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6ROR
 | | REP related 18-mer DNA | | Descriptor: | REP related 18-mer DNA from C. hominis, STRONTIUM ION | | Authors: | Kolenko, P, Svoboda, J, Schneider, B. | | Deposit date: | 2019-05-13 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
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6ROS
 | | REP related 18-mer DNA | | Descriptor: | REP related 18-mer DNA from C. hominis, STRONTIUM ION | | Authors: | Kolenko, P, Svoboda, J, Schneider, B. | | Deposit date: | 2019-05-13 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
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5ZNY
 | | Structure of mDR3_DD-C363G with MBP tag | | Descriptor: | Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION | | Authors: | Yin, X, Jin, T. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
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5ZNZ
 | | Structure of mDR3 DD with MBP tag mutant-I387V | | Descriptor: | Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION | | Authors: | Jin, T, Yin, X. | | Deposit date: | 2018-04-12 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
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5BKN
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1XQI
 | | Crystal Structure Analysis of an NDP kinase from Pyrobaculum aerophilum | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoside diphosphate kinase, TRIETHYLENE GLYCOL | | Authors: | Pedelacq, J.D, Waldo, G.S, Cabantous, S, Liong, E.C, Berendzen, J, Terwilliger, T.C. | | Deposit date: | 2004-10-12 | | Release date: | 2005-09-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional features of an NDP kinase from the hyperthermophile crenarchaeon Pyrobaculum aerophilum
Protein Sci., 14, 2005
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