6PRY
 
 | | X-ray crystal structure of the blue-light absorbing state of PixJ from Thermosynechococcus elongatus by serial femtosecond crystallographic analysis | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Burgie, E.S, Clinger, J.A, Miller, M.D, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M, Kern, J.F. | | Deposit date: | 2019-07-12 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
5K75
 | | IRAK4 in complex with Compound 1 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-05-25 | | Release date: | 2017-12-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
|
|
2VVW
 | | Structure of Vaccinia virus protein A52 | | Descriptor: | PROTEIN A52 | | Authors: | Graham, S.C, Bahar, M.W, Cooray, S, Chen, R.A.-J, Whalen, D.M, Abrescia, N.G.A, Alderton, D, Owens, R.J, Stuart, D.I, Smith, G.L, Grimes, J.M. | | Deposit date: | 2008-06-12 | | Release date: | 2008-08-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Vaccinia Virus Proteins A52 and B14 Share a Bcl-2-Like Fold But Have Evolved to Inhibit NF-kappaB Rather Than Apoptosis
Plos Pathog., 4, 2008
|
|
6P8J
 | |
6W3L
 | | APE1 exonuclease substrate complex wild-type | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA-(apurinic or apyrimidinic site) lyase, ... | | Authors: | Freudenthal, B.D, Whitaker, A.M. | | Deposit date: | 2020-03-09 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
|
|
2VNT
 | | UROKINASE-TYPE PLASMINOGEN ACTIVATOR INHIBITOR COMPLEX WITH A 1-(7- SULPHOAMIDOISOQUINOLINYL)GUANIDINE | | Descriptor: | 1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Fish, P.V, Barber, C.G, Brown, D.G, Butt, R, Henry, B.T, Horne, V, Huggins, J.P, Mccleverty, D, Phillips, C, Webster, R, Dickinson, R.P, Collis, M.G, King, E, O'Gara, M, Mcintosh, F. | | Deposit date: | 2008-02-07 | | Release date: | 2008-02-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Selective Urokinase-Type Plasminogen Activator (Upa) Inhibitors 4. 1-(7-Sulphonamidoisoquinolinyl) Guanidines
J.Med.Chem., 50, 2007
|
|
4IJL
 | | Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A | | Descriptor: | Replication protein A 70 kDa DNA-binding subunit, {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid | | Authors: | Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2012-12-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
|
|
5D91
 | | Structure of a phosphatidylinositolphosphate (PIP) synthase from Renibacterium Salmoninarum | | Descriptor: | AF2299 protein,Phosphatidylinositol synthase, MAGNESIUM ION, Octadecane, ... | | Authors: | Clarke, O.B, Tomasek, D.T, Jorge, C.D, Belcher Dufrisne, M, Kim, M, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Santos, H, Mancia, F. | | Deposit date: | 2015-08-18 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural basis for phosphatidylinositol-phosphate biosynthesis.
Nat Commun, 6, 2015
|
|
6CLG
 | | 1.35 A MicroED structure of GSNQNNF at 2.4 e- / A^2 | | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.35 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
6CLJ
 | | 1.01 A MicroED structure of GSNQNNF at 0.50 e- / A^2 | | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
6CLN
 | | 1.15 A MicroED structure of GSNQNNF at 1.8 e- / A^2 | | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.15 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
6CLQ
 | | 1.21 A MicroED structure of GSNQNNF at 2.8 e- / A^2 | | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.21 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
8FUU
 | |
5JYC
 | | Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 14,15-EET hydrolysis intermediate | | Descriptor: | (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid, CFTR inhibitory factor | | Authors: | Hvorecny, K.L, Madden, D.R. | | Deposit date: | 2016-05-13 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pseudomonas aeruginosa sabotages the generation of host proresolving lipid mediators.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6PFC
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.689 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
|
|
6CP2
 | | SidC in complex with UbcH7~Ub | | Descriptor: | Polyubiquitin-B, SidC, Ubiquitin-conjugating enzyme E2 L3 | | Authors: | Wasilko, D.J, Huang, Q, Mao, Y. | | Deposit date: | 2018-03-13 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Insights into the ubiquitin transfer cascade catalyzed by theLegionellaeffector SidC.
Elife, 7, 2018
|
|
6CP0
 | | SdcA in complex with the E2, UbcH5C | | Descriptor: | SdcA, Ubiquitin-conjugating enzyme E2 D3 | | Authors: | Wasilko, D.J, Huang, Q, Mao, Y. | | Deposit date: | 2018-03-13 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Insights into the ubiquitin transfer cascade catalyzed by theLegionellaeffector SidC.
Elife, 7, 2018
|
|
2VNW
 | | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine | | Descriptor: | 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
|
|
2WBK
 | | Structure of the Michaelis complex of beta-mannosidase, Man2A, provides insight into the conformational itinerary of mannoside hydrolysis | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside, BETA-MANNOSIDASE, ... | | Authors: | Offen, W.A, Zechel, D.L, Withers, S.G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-03-02 | | Release date: | 2009-03-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Michaelis Complex of Beta-Mannosidase, Man2A, Provides Insight Into the Conformational Itinerary of Mannoside Hydrolysis.
Cell(Cambridge,Mass.), 18, 2009
|
|
6PL6
 | | Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 2/cell division protein FtsI, Peptidoglycan glycosyltransferase RodA, ... | | Authors: | Sjodt, M, Rohs, P.D.A, Erlandson, S.C, Zheng, S, Rudner, D.Z, Bernhardt, T.G, Kruse, A.C. | | Deposit date: | 2019-06-30 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural coordination of polymerization and crosslinking by a SEDS-bPBP peptidoglycan synthase complex.
Nat Microbiol, 5, 2020
|
|
6CCF
 | | Crystal Structure of the Human CAMKK1A in complex with Hesperadin | | Descriptor: | 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 1, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, ... | | Authors: | Santiago, A.S, Counago, R.M, dos Reis, C.V, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-07 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Human CAMKK1A in complex with Hesperadin
To be Published
|
|
7ARZ
 | | Ternary complex of NAD-dependent formate dehydrogenase from Physcomitrium patens | | Descriptor: | AZIDE ION, Formate dehydrogenase, mitochondrial, ... | | Authors: | Goryaynova, D.A, Nikolaeva, A.Y, Pometun, A.A, Savin, S.S, Parshin, P.D, Popov, V.O, Tishkov, V.I, Boyko, K.M. | | Deposit date: | 2020-10-26 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Ternary complex of NAD-dependent formate dehydrogenase from Physcomitrium patens
To Be Published
|
|
4US8
 | | Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with benzaldehyde | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ... | | Authors: | Correia, H.D, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2014-07-03 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
|
|
6CQM
 | | Crystal Structure of mitochondrial single-stranded DNA binding proteins from S. cerevisiae, Rim1 (Form2) | | Descriptor: | Single-stranded DNA-binding protein RIM1, mitochondrial | | Authors: | Singh, S.P, Kukshal, V, Bona, P.D, Lytle, A.K, Edwin, A, Galletto, R. | | Deposit date: | 2018-03-15 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The mitochondrial single-stranded DNA binding protein from S. cerevisiae, Rim1, does not form stable homo-tetramers and binds DNA as a dimer of dimers.
Nucleic Acids Res., 46, 2018
|
|
8FUT
 | |
