4RWZ
 
 | | Crystal structure of the antibiotic-resistance methyltransferase Kmr | | Descriptor: | Putative rRNA methyltransferase | | Authors: | Savic, M. | | Deposit date: | 2014-12-08 | | Release date: | 2015-03-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | 30S Subunit-Dependent Activation of the Sorangium cellulosum So ce56 Aminoglycoside Resistance-Conferring 16S rRNA Methyltransferase Kmr.
Antimicrob.Agents Chemother., 59, 2015
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4RX1
 | | Crystal Structure of antibiotic-resistance methyltransferase Kmr | | Descriptor: | GLYCEROL, IODIDE ION, Putative rRNA methyltransferase | | Authors: | Savic, M. | | Deposit date: | 2014-12-08 | | Release date: | 2015-03-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.472 Å) | | Cite: | 30S Subunit-Dependent Activation of the Sorangium cellulosum So ce56 Aminoglycoside Resistance-Conferring 16S rRNA Methyltransferase Kmr.
Antimicrob.Agents Chemother., 59, 2015
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6YAA
 | | Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP | | Descriptor: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ... | | Authors: | Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M. | | Deposit date: | 2020-03-11 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia.
Cell Chem Biol, 27, 2020
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1EP8
 | | CRYSTAL STRUCTURE OF A MUTATED THIOREDOXIN, D30A, FROM CHLAMYDOMONAS REINHARDTII | | Descriptor: | THIOREDOXIN CH1, H-TYPE | | Authors: | Menchise, V, Corbier, C, Didierjean, C, Saviano, M, Benedetti, E, Jacquot, J.P, Aubry, A. | | Deposit date: | 2000-03-28 | | Release date: | 2001-12-12 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism.
Biochem.J., 359, 2001
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1NW2
 | | The crystal structure of the mutant R82E of Thioredoxin from Alicyclobacillus acidocaldarius | | Descriptor: | ACETATE ION, CACODYLATE ION, THIOREDOXIN, ... | | Authors: | Bartolucci, S, De Simone, G, Galdiero, S, Improta, R, Menchise, V, Pedone, C, Pedone, E, Saviano, M. | | Deposit date: | 2003-02-05 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius
J.Bacteriol., 185, 2003
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1NSW
 | | The Crystal Structure of the K18G Mutant of the thioredoxin from Alicyclobacillus acidocaldarius | | Descriptor: | THIOREDOXIN | | Authors: | Bartolucci, S, De Simone, G, Galdiero, S, Improta, R, Menchise, V, Pedone, C, Pedone, E, Saviano, M. | | Deposit date: | 2003-01-28 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius
J.Bacteriol., 185, 2003
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1EP7
 | | CRYSTAL STRUCTURE OF WT THIOREDOXIN H FROM CHLAMYDOMONAS REINHARDTII | | Descriptor: | THIOREDOXIN CH1, H-TYPE | | Authors: | Menchise, V, Corbier, C, Didierjean, C, Saviano, M, Benedetti, E, Jacquot, J.P, Aubry, A. | | Deposit date: | 2000-03-28 | | Release date: | 2001-12-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism.
Biochem.J., 359, 2001
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1RQM
 | | SOLUTION STRUCTURE OF THE K18G/R82E ALICYCLOBACILLUS ACIDOCALDARIUS THIOREDOXIN MUTANT | | Descriptor: | Thioredoxin | | Authors: | Leone, M, Di Lello, P, Ohlenschlager, O, Pedone, E.M, Bartolucci, S, Rossi, M, Di Blasio, B, Pedone, C, Saviano, M, Isernia, C, Fattorusso, R. | | Deposit date: | 2003-12-05 | | Release date: | 2004-06-22 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Backbone Dynamics of the K18G/R82E Alicyclobacillus acidocaldarius Thioredoxin Mutant: A Molecular Analysis of Its Reduced Thermal Stability.
Biochemistry, 43, 2004
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1NR8
 | | The crystal structure of a D-Lysine-based chiral PNA-DNA duplex | | Descriptor: | 5'-D(P*AP*GP*TP*GP*AP*TP*CP*TP*AP*C)-3', H-((GPN)*(TPN)*(APN)*(GPN)*(A66)*(T66)*(C66)*(APN)*(CPN)*(TPN))-NH2, MAGNESIUM ION | | Authors: | Menchise, V, De Simone, G, Tedeschi, T, Corradini, R, Sforza, S, Marchelli, R, Capasso, D, Saviano, M, Pedone, C. | | Deposit date: | 2003-01-24 | | Release date: | 2003-10-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Insights into peptide nucleic acid (PNA) structural features: The
crystal structure of a D-lysine-based chiral PNA-DNA duplex
Proc.Natl.Acad.Sci.USA, 100, 2003
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1NJQ
 | | NMR structure of the single QALGGH zinc finger domain from Arabidopsis thaliana SUPERMAN protein | | Descriptor: | ZINC ION, superman protein | | Authors: | Isernia, C, Bucci, E, Leone, M, Zaccaro, L, Di Lello, P, Digilio, G, Esposito, S, Saviano, M, Di Blasio, B, Pedone, C, Pedone, P.V, Fattorusso, R. | | Deposit date: | 2003-01-02 | | Release date: | 2003-03-04 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of the Single QALGGH Zinc Finger Domain from the Arabidopsis thaliana SUPERMAN Protein.
Chembiochem, 4, 2003
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6S0N
 | | A9 peptide derived from Herceptin fab binding region | | Descriptor: | GLN-ASP-VAL-ASN-THR-ALA-VAL-ALA-TRP | | Authors: | De Luca, S, Verdoliva, V, Saviano, M, Fattorusso, R, Diana, D. | | Deposit date: | 2019-06-17 | | Release date: | 2019-11-06 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | SPR and NMR characterization of the molecular interaction between A9 peptide and a model system of HER2 receptor: A fragment approach for selecting peptide structures specific for their target.
J.Pept.Sci., 26, 2020
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5NEA
 | | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(2-methyl-1,3-oxazol-5-yl)benzene-1-sulfonammide | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Ferraroni, M, Supuran, C.T, Krasavin, M. | | Deposit date: | 2017-03-10 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads.
Bioorg. Med. Chem., 25, 2017
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5NEE
 | | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 5-[2-(morpholine-4-carbonyl)1,3-oxazol-5-yl)]thiophene-2-sulfonammide | | Descriptor: | 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T, Krasavin, M. | | Deposit date: | 2017-03-10 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads.
Bioorg. Med. Chem., 25, 2017
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6FR2
 | | Soluble epoxide hydrolase in complex with LK864 | | Descriptor: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | | Deposit date: | 2018-02-15 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.262 Å) | | Cite: | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
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8AOQ
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20a | | Descriptor: | (3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION | | Authors: | Maiwald, S, Heim, C, Hartmann, M.D. | | Deposit date: | 2022-08-08 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines.
Eur.J.Med.Chem., 246, 2023
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8AOP
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 14r | | Descriptor: | (3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Maiwald, S, Heim, C, Hartmann, M.D. | | Deposit date: | 2022-08-08 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines.
Eur.J.Med.Chem., 246, 2023
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7PJK
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with a benzotriazole analog of thalidomide | | Descriptor: | (3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION | | Authors: | Heim, C, Hartmann, M.D, Maiwald, S. | | Deposit date: | 2021-08-24 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Replacing the phthalimide core in thalidomide with benzotriazole.
J Enzyme Inhib Med Chem, 37, 2022
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1QUW
 | | SOLUTION STRUCTURE OF THE THIOREDOXIN FROM BACILLUS ACIDOCALDARIUS | | Descriptor: | THIOREDOXIN | | Authors: | Nicastro, G, de Chiara, C, Pedone, E, Tato, M, Rossi, M. | | Deposit date: | 1999-07-02 | | Release date: | 2000-01-26 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of a novel thioredoxin from Bacillus acidocaldarius possible determinants of protein stability.
Eur.J.Biochem., 267, 2000
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5DE1
 | | Crystal structure of human IDH1 in complex with GSK321A | | Descriptor: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Concha, N.O, Smallwood, A, Qi, H. | | Deposit date: | 2015-08-25 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia.
Nat.Chem.Biol., 11, 2015
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4CFL
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY303511 | | Descriptor: | 1,2-ETHANEDIOL, 8-phenyl-2-piperazin-1-yl-chromen-4-one, BRD4 PROTEIN, ... | | Authors: | Chung, C, Dittmann, A, Drewes, G. | | Deposit date: | 2013-11-18 | | Release date: | 2014-01-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains.
Acs Chem.Biol., 9, 2014
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4CFK
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002 | | Descriptor: | 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, BRD4 PROTEIN, ... | | Authors: | Chung, C, Dittmann, A, Drewes, G. | | Deposit date: | 2013-11-18 | | Release date: | 2014-01-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains.
Acs Chem.Biol., 9, 2014
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7QSI
 | | human Carbonic Anhydrase II in complex with indoline-1-sulfonamide | | Descriptor: | 2,3-dihydroindole-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2022-01-13 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.304 Å) | | Cite: | Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile.
J Enzyme Inhib Med Chem, 37, 2022
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2MYQ
 | | NMR structure of an Odin-Sam1 fragment | | Descriptor: | Ankyrin repeat and SAM domain-containing protein 1A | | Authors: | Mercurio, F.A, Leone, M. | | Deposit date: | 2015-01-30 | | Release date: | 2015-07-08 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Peptide Fragments of Odin-Sam1: Conformational Analysis and Interaction Studies with EphA2-Sam.
Chembiochem, 16, 2015
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3LS2
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3MQ2
 | | Crystal Structure of 16S rRNA Methyltranferase KamB | | Descriptor: | 16S rRNA methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Macmaster, R.A. | | Deposit date: | 2010-04-27 | | Release date: | 2010-12-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural insights into the function of aminoglycoside-resistance A1408 16S rRNA methyltransferases from antibiotic-producing and human pathogenic bacteria.
Nucleic Acids Res., 38, 2010
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