6SP1
 
 | | KEAP1 IN COMPLEX WITH COMPOUND 6 | | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | Deposit date: | 2019-08-30 | | Release date: | 2020-06-03 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
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6Y7U
 | | Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A A95P variant (CagFbFP) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase | | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gordeliy, V, Gushchin, I. | | Deposit date: | 2020-03-02 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Effects of Proline Substitutions on the Thermostable LOV Domain from Chloroflexus aggregans
Crystals, 2020
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2AQB
 | | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli | | Descriptor: | (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | | Deposit date: | 2005-08-17 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
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2AOD
 | | Crystal structure analysis of HIV-1 protease with a substrate analog P2-NC | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, HIV-1 PROTEASE, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-12 | | Release date: | 2006-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
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4QTO
 | | 1.65 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-modified Cys289 and PEG molecule in active site | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine aldehyde dehydrogenase, ... | | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-07-08 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
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8EIP
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8C24
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8EIN
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4R0U
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6CDN
 | | Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2018-02-08 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.055 Å) | | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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4R49
 | | Racemic crystal structure of a calcium-bound B-DNA duplex | | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4R96
 | | Structure of a Llama Glama Fab 48A2 against human cMet | | Descriptor: | Llama glama Fab 48A2 against human cMet H chain, Llama glama Fab 48A2 against human cMet L chain | | Authors: | Klarenbeek, A, El Mazouari, K, Desmyter, A, Blanchetot, C, Hultberg, A, Roovers, R.C, Cambillau, C, Spinelli, S, Del-Favero, J, Verrips, T, de Haard, H, Achour, I. | | Deposit date: | 2014-09-03 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Camelid Ig V genes reveal significant human homology not seen in therapeutic target genes, providing for a powerful therapeutic antibody platform.
MAbs, 7, 2015
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8Q96
 | | P301S Tau Filaments from the Brains of Tg2541 Transgenic Mouse Line | | Descriptor: | Isoform Tau-E of Microtubule-associated protein tau, Unknown protein | | Authors: | Schweighauser, M, Murzin, A.G, Macdonald, J, Lavenir, I, Crowther, R.A, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2023-08-19 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Cryo-EM structures of tau filaments from the brains of mice transgenic for human mutant P301S Tau.
Acta Neuropathol Commun, 11, 2023
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7AHP
 | | Crystal structure of Ixodes ricinus serpin - Iripin-3 | | Descriptor: | Putative salivary serpin, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM | | Authors: | Kascakova, B, Kuta Smatanova, I, Prudnikova, T. | | Deposit date: | 2020-09-25 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Iripin-3, a New Salivary Protein Isolated From Ixodes ricinus Ticks, Displays Immunomodulatory and Anti-Hemostatic Properties In Vitro
Front Immunol, 12, 2021
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5MAB
 | | FoxE P3121 crystal structure of Rhodopseudomonas ferrooxidans SW2 putative iron oxidase | | Descriptor: | COPPER (II) ION, FoxE, HEME C, ... | | Authors: | Pereira, L, Saraiva, I.H, Oliveira, A.S, Soares, C, Gomes, R.O, Frazao, C. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (2.436 Å) | | Cite: | FoxE P3121 crystal structure of Rhodopseudomonas ferrooxidans SW2 putative iron oxidase
To be published
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170D
 | | SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT | | Descriptor: | DNA/RNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*T)-R(P*CAR)-D(P*GP*CP*G)-3') | | Authors: | Schweitzer, B.I, Mikita, T, Kellogg, G.W, Gardner, K.H, Beardsley, G.P. | | Deposit date: | 1994-03-14 | | Release date: | 1994-07-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA dodecamer containing the anti-neoplastic agent arabinosylcytosine: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement.
Biochemistry, 33, 1994
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6PBV
 | | Crystal structure of Fab668 complex | | Descriptor: | 1,2-ETHANEDIOL, Fab668 heavy chain, Fab668 light chain, ... | | Authors: | Oyen, D, Wilson, I.A. | | Deposit date: | 2019-06-14 | | Release date: | 2020-03-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.566 Å) | | Cite: | Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein.
Plos Pathog., 16, 2020
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121D
 | | MOLECULAR STRUCTURE OF THE A-TRACT DNA DODECAMER D(CGCAAATTTGCG) COMPLEXED WITH THE MINOR GROOVE BINDING DRUG NETROPSIN | | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), NETROPSIN | | Authors: | Tabernero, L, Verdaguer, N, Coll, M, Fita, I, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Aymami, J. | | Deposit date: | 1993-04-14 | | Release date: | 1994-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor groove binding drug netropsin.
Biochemistry, 32, 1993
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5M7P
 | | Crystal structure of NtrX from Brucella abortus in complex with ADP processed with the CrystalDirect automated mounting and cryo-cooling technology | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nitrogen assimilation regulatory protein | | Authors: | Cornaciu, I, Fernandez, I, Hoffmann, G, Carrica, M.C, Goldbaum, F.A, Marquez, J.A. | | Deposit date: | 2016-10-28 | | Release date: | 2017-01-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Three-Dimensional Structure of Full-Length NtrX, an Unusual Member of the NtrC Family of Response Regulators.
J. Mol. Biol., 429, 2017
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2CJB
 | | Crystal structure of Methanosarcina barkeri seryl-tRNA synthetase complexed with serine | | Descriptor: | CHLORIDE ION, SERINE, SERYL-TRNA SYNTHETASE, ... | | Authors: | Bilokapic, S, Maier, T, Ahel, D, Gruic-Sovulj, I, Soll, D, Weygand-Durasevic, I, Ban, N. | | Deposit date: | 2006-03-30 | | Release date: | 2006-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Unusual Seryl-tRNA Synthetase Reveals a Distinct Zinc-Dependent Mode of Substrate Recognition
Embo J., 25, 2006
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6T1A
 | | Structure of mosquitocidal Cyt1Aa protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 10 | | Descriptor: | CALCIUM ION, Type-1Aa cytolytic delta-endotoxin | | Authors: | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
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6Y30
 | | NG domain of human SRP54 T115A mutant | | Descriptor: | Signal recognition particle 54 kDa protein | | Authors: | Juaire, K.D, Wild, K, Sinning, I. | | Deposit date: | 2020-02-17 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia.
Structure, 29, 2021
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1A3L
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8C5Q
 | | CK2 kinase bound to inhibitor AB668 | | Descriptor: | 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Krimm, I, Guichou, J.F. | | Deposit date: | 2023-01-10 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | CK2 kinase bound to inhibitor AB668
To Be Published
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132L
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