6PR7
| S. aureus dihydrofolate reductase co-crystallized with benzyl-dihydropthalazine inhibitor and NADP(H) | Descriptor: | (2E)-1-[(1S)-1-benzylphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Bourne, C.R, Thomas, L.M. | Deposit date: | 2019-07-10 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase. Eur.J.Med.Chem., 200, 2020
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6PR9
| S. aureus dihydrofolate reductase co-crystallized with 1-ethylpropyl-dihydropthalazine inhibitor and NADP(H) | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Bourne, C.R, Thomas, L.M. | Deposit date: | 2019-07-10 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase. Eur.J.Med.Chem., 200, 2020
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4CL6
| Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine | Descriptor: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H. | Deposit date: | 2014-01-13 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A Substrate Mimic Allows High Throughput Assay of the Faba Protein and Consequently the Identification of a Novel Inhibitor of Pseudomonas Aeruginosa Faba. J.Mol.Biol., 428, 2016
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6PR8
| S. aureus dihydrofoate reductase co-crystallized with 3,5-dimethylphenyl-dihydropthalazine inhibitor and NADP(H) | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Bourne, C.R, Thomas, L.M. | Deposit date: | 2019-07-10 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase. Eur.J.Med.Chem., 200, 2020
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6PRA
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3D6R
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3ZYC
| DYNAMIN 1 GTPASE GED FUSION DIMER COMPLEXED WITH GMPPCP | Descriptor: | DYNAMIN-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Chappie, J.S, Mears, J.A, Fang, S, Leonard, M, Schmid, S.L, Milligan, R.A, Hinshaw, J.E, Dyda, F. | Deposit date: | 2011-08-22 | Release date: | 2011-10-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Pseudoatomic Model of the Dynamin Polymer Identifies a Hydrolysis-Dependent Powerstroke. Cell(Cambridge,Mass.), 147, 2011
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6VUM
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2WGF
| Crystal structure of Mycobacterium tuberculosis C171Q KasA variant | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | Authors: | Luckner, S.R, Kisker, C. | Deposit date: | 2009-04-17 | Release date: | 2009-07-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures of Mycobacterium Tuberculosis Kasa Show Mode of Action within Cell Wall Biosynthesis and its Inhibition by Thiolactomycin Structure, 17, 2009
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3JZO
| Human MDMX liganded with a 12mer peptide (pDI) | Descriptor: | POTASSIUM ION, Protein Mdm4, pDI peptide (12mer) | Authors: | Schonbrunn, E, Phan, J. | Deposit date: | 2009-09-23 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
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6VWJ
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6T16
| ASR Alternansucrase in complex with panose | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ... | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | Deposit date: | 2019-10-03 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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3K7I
| Crystal structure of the E131K mutant of the Indian Hedgehog N-terminal signalling domain | Descriptor: | Indian hedgehog protein, SULFATE ION, ZINC ION | Authors: | He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z. | Deposit date: | 2009-10-13 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.438 Å) | Cite: | Crystal structure of the E131K mutant of the Indian Hedgehog N-terminal signalling domain To be Published
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6SZI
| ASR Alternansucrase in complex with isomaltose | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | Deposit date: | 2019-10-02 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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6W2T
| Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the closed state (Class 2) | Descriptor: | 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ... | Authors: | Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S. | Deposit date: | 2020-03-08 | Release date: | 2020-04-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate. Elife, 9, 2020
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6SLT
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4IQP
| Crystal Structure of HCRA-W1266A | Descriptor: | Botulinum neurotoxin type A, GLYCEROL | Authors: | Fu, Z, Kroken, A.R, Barbieri, J.T, Kim, J.-J.P. | Deposit date: | 2013-01-12 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enhancing the Protective Immune Response against Botulism. Infect.Immun., 81, 2013
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6SMT
| S-enantioselective imine reductase from Mycobacterium smegmatis | Descriptor: | (2S)-2-ethylhexan-1-ol, 1,2-ETHANEDIOL, 6-phosphogluconate dehydrogenase, ... | Authors: | Meyer, T, Zumbraegel, N, Geerds, C, Groeger, H, Niemann, H.H. | Deposit date: | 2019-08-22 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Characterization of an S -enantioselective Imine Reductase from Mycobacterium Smegmatis . Biomolecules, 10, 2020
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6SUL
| Amicoumacin kinase AmiN in complex with AMP-PNP, Mg2+ and Ami | Descriptor: | Amicoumacin A, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | Deposit date: | 2019-09-15 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding. Sci Adv, 6, 2020
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6WBQ
| Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Tubastatin A | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, PHOSPHATE ION, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2020-03-27 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase. Acs Chem.Biol., 15, 2020
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6SS7
| Human Leukocyte Antigen Class I A02 Carrying LLWAGPMAV | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Bovay, A. | Deposit date: | 2019-09-06 | Release date: | 2020-07-15 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020
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6PSD
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4JXJ
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6ST7
| Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp | Descriptor: | ISOPROPYL ALCOHOL, TRYPTOPHAN, Trp operon repressor | Authors: | Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L. | Deposit date: | 2019-09-10 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan. Acta Crystallogr.,Sect.F, 77, 2021
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6VRM
| T cell receptor-p53-HLA-A2 complex | Descriptor: | Beta-2-microglobulin, Cellular tumor antigen p53 peptide, MHC class I antigen, ... | Authors: | Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A. | Deposit date: | 2020-02-08 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen. Nat Commun, 11, 2020
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