7E9R
 
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8PWM
 | | Crystal structure of VDR in complex with Des-C-Ring and Aromatic-D-Ring analog 3b | | Descriptor: | (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]but-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 2, ... | | Authors: | Rochel, N. | | Deposit date: | 2023-07-20 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel Des-C-Ring and Aromatic-D-Ring analogs Acting as Potent Agonists of the Vitamin D Receptor (VDR)
To Be Published
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5F6C
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8PRU
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7EAD
 | | Crystal structure of beta-sheet cytochrome c prime from Thermus thermophilus. | | Descriptor: | Cytochrome_P460 domain-containing protein, HEME C | | Authors: | Yoshimi, T, Fujii, S, Oki, H, Igawa, T, Adams, R.H, Ueda, K, Kawahara, K, Ohkubo, T, Hough, A.M, Sambongi, Y. | | Deposit date: | 2021-03-07 | | Release date: | 2022-03-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of thermally stable homodimeric cytochrome c'-beta from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 78, 2022
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5LWV
 | | Human OGT in complex with UDP and fused substrate peptide (HCF1) | | Descriptor: | GLYCEROL, Host cell factor 1,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, PHOSPHATE ION, ... | | Authors: | Raimi, O, Rafie, K, Kapuria, V, Herr, W, van Aalten, D. | | Deposit date: | 2016-09-19 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
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5FGR
 | | Crystal structure of C-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG - P21212 space group with Yb Heavy atom | | Descriptor: | Cell surface protein SpaA, YTTERBIUM (III) ION | | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | | Deposit date: | 2015-12-21 | | Release date: | 2016-07-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
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5TPQ
 | | E. coli alkaline phosphatase D101A, D153A, R166S, E322A, K328A mutant | | Descriptor: | Alkaline phosphatase, PHOSPHATE ION, ZINC ION | | Authors: | Sunden, F, AlSadhan, I, Lyubimov, A.Y, Doukov, T, Swan, J, Herschlag, D. | | Deposit date: | 2016-10-20 | | Release date: | 2017-11-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Differential catalytic promiscuity of the alkaline phosphatase superfamily bimetallo core reveals mechanistic features underlying enzyme evolution.
J. Biol. Chem., 292, 2017
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5EWA
 | | Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26 | | Descriptor: | (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | | Authors: | Kosmopoulou, M, Hinchliffe, P, Spencer, J. | | Deposit date: | 2015-11-20 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6WT6
 | | Structure of a metazoan TIR-STING receptor from C. gigas | | Descriptor: | Metazoan TIR-STING fusion | | Authors: | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2020-05-01 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | STING cyclic dinucleotide sensing originated in bacteria.
Nature, 586, 2020
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5EXN
 | | FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | | Authors: | Sheriff, S. | | Deposit date: | 2015-11-23 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
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5TRD
 | | Structure of RbkR (Riboflavin Kinase) from Thermoplasma acidophilum determined in complex with CTP and its cognate DNA operator | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*TP*AP*CP*TP*AP*AP*TP*TP*CP*AP*CP*GP*AP*GP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*AP*CP*TP*CP*GP*TP*GP*AP*AP*TP*TP*AP*GP*TP*AP*A)-3'), ... | | Authors: | Vetting, M.W, Rodionova, I.A, Li, X, Osterman, A.L, Rodionov, D.A, Almo, S.C. | | Deposit date: | 2016-10-26 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of RbkR (Riboflavin Kinase) from Thermoplasma acidophilum determined in complex with CTP and its cognate DNA operator
To be published
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5LXN
 | | Coiled-coil protein | | Descriptor: | SULFATE ION, TRIETHYLENE GLYCOL, Transforming acidic coiled-coil-containing protein 3 | | Authors: | Thiyagarajan, N, Bunney, T.D, Katan, M. | | Deposit date: | 2016-09-22 | | Release date: | 2017-10-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Coiled-coil protein
To Be Published
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8PWC
 | | Crystal structure of MDM2 with Brigimadlin | | Descriptor: | Brigimadlin, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Bader, G, Wolkerstorfer, B. | | Deposit date: | 2023-07-20 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.461 Å) | | Cite: | Discovery and Characterization of Brigimadlin, a Novel and Highly Potent MDM2-p53 Antagonist Suitable for Intermittent Dose Schedules.
Mol.Cancer Ther., 2024
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5EZG
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 22 at 1.84A resolution | | Descriptor: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide | | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2015-11-26 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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5FHG
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6WVF
 | | E.coli DsbB C104S with ubiquinone | | Descriptor: | Green fluorescent protein,Disulfide bond formation protein B,Green fluorescent protein, UBIQUINONE-1 | | Authors: | Liu, S, Li, W. | | Deposit date: | 2020-05-05 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Termini restraining of small membrane proteins enables structure determination at near-atomic resolution.
Sci Adv, 6, 2020
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5FIE
 | | Crystal structure of N-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG | | Descriptor: | Cell surface protein SpaA, SODIUM ION | | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | | Deposit date: | 2015-12-23 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
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6X3P
 | | Co-structure of BTK kinase domain with L-005298385 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | | Authors: | Fischmann, T.O. | | Deposit date: | 2020-05-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
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8QLG
 | | Crystal structure of the pneumococcal Substrate-binding protein AliD in closed conformation in complex with Peptide 1 | | Descriptor: | AliD, Peptide 1, ZINC ION | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
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5LON
 | | Structure of /K. lactis/ Dcp1-Dcp2 decapping complex. | | Descriptor: | KLLA0E01827p, KLLA0F23980p | | Authors: | Charenton, C, Taverniti, V, Gaudon-Plesse, C, Back, R, Seraphin, B, Graille, M. | | Deposit date: | 2016-08-09 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the active form of Dcp1-Dcp2 decapping enzyme bound to m(7)GDP and its Edc3 activator.
Nat.Struct.Mol.Biol., 23, 2016
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6WX7
 | | SOX2 bound to Importin-alpha 2 | | Descriptor: | Importin subunit alpha-1, Transcription factor SOX-2 | | Authors: | Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N. | | Deposit date: | 2020-05-09 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
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8QCW
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8QLH
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5LYN
 | | Structure of the Tpr Domain of Sgt2 in complex with yeast Ssa1 peptide fragment | | Descriptor: | PRO-THR-VAL-GLU-GLU-VAL-ASP, Small glutamine-rich tetratricopeptide repeat-containing protein 2, ZINC ION | | Authors: | Krysztofinska, E.M, Evans, N.J, Thapaliya, A, Murray, J.W, Morgan, R.M.L, Martinez-Lumbreras, S, Isaacson, R.L. | | Deposit date: | 2016-09-28 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
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