6S0M
 
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5J7I
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6UY4
 | | Crystal structure of dihydroorotate dehydrogenase from Schistosoma mansoni | | Descriptor: | 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Mori, R.M, Zapata, L.C.C, Nonato, M.C. | | Deposit date: | 2019-11-11 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Structural basis for the function and inhibition of dihydroorotate dehydrogenase from Schistosoma mansoni.
Febs J., 288, 2021
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5JO9
 | | Structural characterization of the thermostable Bradyrhizobium japonicum d-sorbitol dehydrogenase | | Descriptor: | PHOSPHATE ION, Ribitol 2-dehydrogenase, sorbitol | | Authors: | Fredslund, F, Otten, H, Navarro Poulsen, J.-C, Lo Leggio, L. | | Deposit date: | 2016-05-02 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.894 Å) | | Cite: | Structural characterization of the thermostable Bradyrhizobium japonicumD-sorbitol dehydrogenase.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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4UM4
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8BWU
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | | Deposit date: | 2022-12-07 | | Release date: | 2023-10-11 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
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1XFT
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5LUD
 | | Structure of Cyclophilin A in complex with 2,3-Diaminopyridine | | Descriptor: | Peptidyl-prolyl cis-trans isomerase, pyridine-2,3-diamine | | Authors: | McNae, I.W, Nowicki, M.W, Blackburn, E.A, Wear, M.A, Walkinshaw, M.D. | | Deposit date: | 2016-09-08 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using BiacoreTM T200.
FEBS Open Bio, 7, 2017
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6IN8
 | | Crystal structure of MucB | | Descriptor: | Sigma factor AlgU regulatory protein MucB | | Authors: | Li, S, Zhang, Q, Bartlam, M. | | Deposit date: | 2018-10-24 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
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4YEN
 | | Room temperature X-ray diffraction studies of cisplatin binding to HEWL in DMSO media after 14 months of crystal storage - new refinement | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2015-02-24 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
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6S5V
 | | Crystal structure of the Cap-Midlink region of the H5N1 Influenza A virus polymerase in complex with a Cap-domain binding analogue | | Descriptor: | (1~{S},2~{S},3~{S},6~{R})-2-[[2-[5,7-bis(fluoranyl)-1~{H}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid, GLYCEROL, POTASSIUM ION, ... | | Authors: | Keown, J.R, Fodor, E, Grimes, J.M. | | Deposit date: | 2019-07-02 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Novel Indoles Targeting the Influenza PB2 Cap Binding Region.
J.Med.Chem., 62, 2019
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6TJR
 | | Structure of HdrA-like subunit from Hyphomicrobium denitrificans | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase/succinate dehydrogenase flavoprotein domain protein, ... | | Authors: | Kayastha, K, Ermler, U, Dahl, C. | | Deposit date: | 2019-11-26 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural and spectroscopic characterization of a HdrA-like subunit from Hyphomicrobium denitrificans.
Febs J., 288, 2021
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6T5X
 | | Crystal structure of Salmonella typhimurium FabG in complex with NADPH at 1.5 A resolution | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Vella, P, Schnell, R, Schneider, G. | | Deposit date: | 2019-10-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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6T62
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6V7M
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5LRQ
 | | BRD4 in complex with ERK5 inhibitor XMD8-92 | | Descriptor: | 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | Authors: | Martin, M.P, Noble, M.E.M. | | Deposit date: | 2016-08-19 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
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6ICR
 | | LdCoroCC mutant- C482A | | Descriptor: | 1,2-ETHANEDIOL, Coronin-like protein | | Authors: | Karade, S.S, Srivastava, V.K, Ansari, A, Pratap, J.V. | | Deposit date: | 2018-09-06 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain.
Int.J.Biol.Macromol., 143, 2020
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6IN9
 | | Crystal structure of MucB in complex with MucA(peri) | | Descriptor: | Sigma factor AlgU negative regulatory protein, Sigma factor AlgU regulatory protein MucB | | Authors: | Li, S, Zhang, Q, Bartlam, M. | | Deposit date: | 2018-10-24 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
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6RPV
 | | Extremely stable monomeric variant of human cystatin C with single amino acid substitution | | Descriptor: | Cystatin-C | | Authors: | Zhukov, I, Rodziewicz-Motowidlo, S, Maszota-Zieleniak, M, Jurczak, P, Kozak, M. | | Deposit date: | 2019-05-14 | | Release date: | 2019-07-31 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
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4YEK
 | | X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2015-02-24 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
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1Y4O
 | | Solution structure of a mouse cytoplasmic Roadblock/LC7 dynein light chain | | Descriptor: | Dynein light chain 2A, cytoplasmic | | Authors: | Song, J, Tyler, R.C, Lee, M.S, Tyler, E.M, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2004-12-01 | | Release date: | 2005-01-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of isoform 1 of Roadblock/LC7, a light chain in the dynein complex.
J.Mol.Biol., 354, 2005
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4I60
 | | Crystal structure of avidin - biotinylruthenocene complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin, [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium | | Authors: | Strzelczyk, P, Bujacz, A, Bujacz, G. | | Deposit date: | 2012-11-29 | | Release date: | 2013-08-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural investigation of the interactions of biotinylruthenocene with avidin.
Chem.Biol.Interact, 204, 2013
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4EW9
 | | The liganded structure of C. bescii family 3 pectate lyase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid, ACETATE ION, ... | | Authors: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2012-04-26 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure and mode of action of Caldicellulosiruptor bescii family 3 pectate lyase in biomass deconstruction.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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7L5F
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3F5A
 | | Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 3'SiaLacNAc1-3 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Garnett, J.A, Liu, Y, Feizi, T, Matthews, S.J. | | Deposit date: | 2008-11-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Detailed insights from microarray and crystallographic studies into carbohydrate recognition by microneme protein 1 (MIC1) of Toxoplasma gondii.
Protein Sci., 18, 2009
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