5MTM
 
 | | Monobody Mb(Lck_3) bound to Lck-SH2 domain | | Descriptor: | Monobody Mb(Lck_3), Tyrosine-protein kinase Lck, ZINC ION | | Authors: | Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O. | | Deposit date: | 2017-01-10 | | Release date: | 2017-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.405 Å) | | Cite: | Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies.
J. Mol. Biol., 429, 2017
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5MUQ
 | | Crystal structure of DC8E8 Fab at pH 7.0 containing a Zn atom | | Descriptor: | IMIDAZOLE, ZINC ION, antibody Fab heavy chain, ... | | Authors: | Skrabana, R, Novak, M, Cehlar, O, Kontsekova, E. | | Deposit date: | 2017-01-13 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structure of DC8E8 Fab at pH 7.0 containing a Zn atom
To be published
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6Y71
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H130A | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | | Deposit date: | 2020-02-27 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
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5MYG
 | | Crystal structure of the bromodomain of human BRPF1 in complex with NI-57 chemical probe | | Descriptor: | 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide, Peregrin | | Authors: | Tallant, C, Igoe, N, Bayle, E.D, Krojer, T, Nunez-Alonso, G, Kopec, J, Fitzpatrick, F, Savitsky, P, Fedorov, O, Brennan, P.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-01-26 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins.
J. Med. Chem., 60, 2017
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4E3M
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5M9D
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6YEY
 | | Xenorhabdus nematophila XptA1 in complex with porcine mucosa heparin | | Descriptor: | A component of insecticidal toxin complex (Tc) | | Authors: | Roderer, D, Broecker, F, Sitsel, O, Kaplonek, P, Leidreiter, F, Seeberger, P.H, Raunser, S. | | Deposit date: | 2020-03-25 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Glycan-dependent cell adhesion mechanism of Tc toxins.
Nat Commun, 11, 2020
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4DE9
 | | LytR-CPS2A-psr family protein YwtF (TagT) with bound octaprenyl pyrophosphate lipid | | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, Putative transcriptional regulator ywtF | | Authors: | Eberhardt, A, Hoyland, C.N, Vollmer, D, Bisle, S, Cleverley, R.M, Johnsborg, O, Havarstein, S, Lewis, R.J, Vollmer, W. | | Deposit date: | 2012-01-20 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | Attachment of Capsular Polysaccharide to the Cell Wall in Streptococcus pneumoniae.
Microb Drug Resist, 18, 2012
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4DHP
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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1D4R
 | | 29-mer fragment of human srp rna helix 6 | | Descriptor: | 29-MER OF MODIFIED SRP RNA HELIX 6, MAGNESIUM ION | | Authors: | Wild, K, Weichenrieder, O, Leonard, G.A, Cusack, S. | | Deposit date: | 1999-10-05 | | Release date: | 1999-12-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2 A structure of helix 6 of the human signal recognition particle RNA
Structure Fold.Des., 7, 1999
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5NJ8
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6XWY
 | | Highly pH-resistant long stokes-shift, red fluorescent protein mCRISPRed | | Descriptor: | 1,2-ETHANEDIOL, MALONIC ACID, Red fluorescent protein eqFP611 | | Authors: | Erdogan, M, Fabritius, A, Basquin, J, Griesbeck, O. | | Deposit date: | 2020-01-24 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Targeted In Situ Protein Diversification and Intra-organelle Validation in Mammalian Cells.
Cell Chem Biol, 27, 2020
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6X15
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6WN5
 | | 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator HdfR from Klebsiella pneumoniae | | Descriptor: | CHLORIDE ION, Transcriptional regulator HdfR | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-22 | | Release date: | 2020-05-06 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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6WN8
 | | 2.70 Angstrom Resolution Crystal Structure of Uracil Phosphoribosyl Transferase from Klebsiella pneumoniae | | Descriptor: | CHLORIDE ION, SULFATE ION, Uracil phosphoribosyltransferase, ... | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-22 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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4GKH
 | | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NA-PP1 | | Descriptor: | 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-08-11 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.863 Å) | | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
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1E0D
 | | UDP-N-Acetylmuramoyl-L-Alanine:D-Glutamate Ligase | | Descriptor: | SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | Authors: | Fanchon, E, Bertrand, J, Chantalat, L, Dideberg, O. | | Deposit date: | 2000-03-24 | | Release date: | 2000-06-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | "Open" Structures of Murd: Domain Movements and Structural Similarities with Folylpolyglutamate Synthetase.
J.Mol.Biol., 301, 2000
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5N2N
 | | Crystal structure of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana complexed with Mg2+ and BeF3- | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Histidine kinase CKI1, MAGNESIUM ION | | Authors: | Otrusinova, O, Demo, G, Padrta, P, Jasenakova, Z, Pekarova, B, Gelova, Z, Szmitkowska, A, Kaderavek, P, Jansen, S, Zachrdla, M, Klumpler, T, Marek, J, Hritz, J, Janda, L, Iwai, H, Wimmerova, M, Hejatko, J, Zidek, L. | | Deposit date: | 2017-02-08 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
J. Biol. Chem., 292, 2017
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4FVG
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4FVF
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6YP6
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1DBV
 | | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE MUTANT WITH ASP 32 REPLACED BY GLY, LEU 187 REPLACED BY ALA, AND PRO 188 REPLACED BY SER COMPLEXED WITH NAD+ | | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Didierjean, C, Rahuel-Clermont, S, Vitoux, B, Dideberg, O, Branlant, G, Aubry, A. | | Deposit date: | 1996-12-20 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A crystallographic comparison between mutated glyceraldehyde-3-phosphate dehydrogenases from Bacillus stearothermophilus complexed with either NAD+ or NADP+.
J.Mol.Biol., 268, 1997
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6YD9
 | | Ecoli GyrB24 with inhibitor 16a | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | | Deposit date: | 2020-03-20 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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5N2M
 | | Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-02-07 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
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4GA9
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