8ITA
 
 | | A reversible glycosyltransferase of tectorigenin - Bc7OUGT complexed with UDP and tectorigenin | | Descriptor: | 3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one, Bc7OUGT, URIDINE-5'-DIPHOSPHATE | | Authors: | Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J. | | Deposit date: | 2023-03-22 | | Release date: | 2023-08-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence.
Plant Biotechnol J, 21, 2023
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8I34
 | | The crystal structure of EPD-BCP1 from a marine sponge | | Descriptor: | (2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-4,8,13,17-tetramethyl-3-oxidanyl-19-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASTAXANTHIN, ... | | Authors: | Shomura, Y, Kawasaki, S. | | Deposit date: | 2023-01-16 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | An ependymin-related blue carotenoprotein decorates marine blue sponge.
J.Biol.Chem., 299, 2023
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8IC1
 | | endo-alpha-D-arabinanase EndoMA1 D51N mutant from Microbacterium arabinogalactanolyticum in complex with arabinooligosaccharides | | Descriptor: | (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Li, J, Nakashima, C, Ishiwata, A, Fujita, K, Fushinobu, S. | | Deposit date: | 2023-02-10 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
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8IIA
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6B2Q
 | | Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | | Descriptor: | 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA | | Authors: | Zuccola, H.J. | | Deposit date: | 2017-09-20 | | Release date: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
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8IC7
 | | exo-beta-D-arabinofuranosidase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with beta-D-arabinofuranose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S. | | Deposit date: | 2023-02-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
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8IC6
 | | exo-beta-D-arabinanase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with Tris | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S. | | Deposit date: | 2023-02-10 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
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8I30
 | | Crystal structure of the SARS-CoV-2 main protease in complex with 32j | | Descriptor: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | | Authors: | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | | Deposit date: | 2023-01-16 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023
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5W7H
 | | Supercharged arPTE variant R5 | | Descriptor: | Phosphotriesterase, ZINC ION | | Authors: | Campbell, E, Grant, J, Wang, Y, Sandhu, M, Williams, R.J, Nisbet, D.R, Perriman, A, Lupton, D, Jackson, C.J. | | Deposit date: | 2017-06-19 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Hydrogel-Immobilized Supercharged Proteins
Adv Biosyst, 2018
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8IC8
 | | Exo-alpha-D-arabinofuranosidase from Microbacterium arabinogalactanolyticum | | Descriptor: | Exo-alpha-D-arabinofuranosidase, PHOSPHATE ION | | Authors: | Kashima, T, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S. | | Deposit date: | 2023-02-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
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5WDO
 | | H-Ras bound to GMP-PNP at 277K | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J. | | Deposit date: | 2017-07-05 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
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5W9A
 | | The structure of the Trim5alpha Bbox- coiled coil in complex LC3B | | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B, Tripartite motif-containing protein 5, ZINC ION | | Authors: | Keown, J.R, Goldstone, D.C. | | Deposit date: | 2017-06-22 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | A helical LC3-interacting region mediates the interaction between the retroviral restriction factor Trim5 alpha and mammalian autophagy-related ATG8 proteins.
J. Biol. Chem., 293, 2018
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5W9Q
 | | Zinc finger region of MBD1 in complex with CpG DNA | | Descriptor: | Methyl-CpG-binding domain protein 1, UNKNOWN ATOM OR ION, ZINC ION, ... | | Authors: | Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-23 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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6BDP
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000071 (Compound 9c) Complex | | Descriptor: | (4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein | | Authors: | Taylor, A.B. | | Deposit date: | 2017-10-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
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5WA2
 | | Crystal structure of Toxoplasma gondii SAG3 (SRS57) | | Descriptor: | GLYCEROL, Surface antigen | | Authors: | Parker, M.L, Boulanger, M.J. | | Deposit date: | 2017-06-24 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | A Toxoplasma lectin-specific activity for sulfated proteoglycans thought to promote infection competency is not dependent on TgSRS57 (TgSAG3)
To be published
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5WEJ
 | | 1.95 A resolution structure of Norovirus 3CL protease in complex with a dipeptidyl oxazolidinone-based inhibitor | | Descriptor: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide, Genome polyprotein | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Rathnayake, A.D, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-07-10 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease.
Eur J Med Chem, 143, 2017
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5WCW
 | | Phosphotriesterase variant S3 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | Deposit date: | 2017-07-02 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.457 Å) | | Cite: | Phosphotriesterase variant S4
To Be Published
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5WDM
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5WBB
 | | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - S112A | | Descriptor: | COPPER (II) ION, GLYCEROL, SULFATE ION, ... | | Authors: | Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2017-06-28 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
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8HZZ
 | | GuApiGT (UGT79B74) | | Descriptor: | SULFATE ION, apiosyltransferase | | Authors: | Wang, H.T, Wang, Z.L, Li, F.D, Ye, M. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
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5WGT
 | | Crystal Structure of MalA' H253A, premalbrancheamide complex | | Descriptor: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Fraley, A.E, Smith, J.L. | | Deposit date: | 2017-07-14 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
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8I0E
 | | Sb3GT1 complex with UDP | | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Wang, H.T, Wang, Z.L, Ye, M. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
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5WHR
 | | Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | | Descriptor: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | | Deposit date: | 2017-07-18 | | Release date: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
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8IA3
 | | Crystal structure of human USF2 bHLHLZ domain in complex with DNA | | Descriptor: | DNA (5'-D(*GP*CP*GP*CP*GP*TP*CP*AP*CP*GP*TP*GP*CP*CP*CP*GP*TP*C)-3'), DNA (5'-D(P*GP*AP*CP*GP*GP*GP*CP*AP*CP*GP*TP*GP*AP*CP*GP*CP*GP*C)-3'), Upstream stimulatory factor 2 | | Authors: | Huang, C, Fang, P, Wang, J. | | Deposit date: | 2023-02-07 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Tetramerization of upstream stimulating factor USF2 requires the elongated bent leucine zipper of the bHLH-LZ domain.
J.Biol.Chem., 299, 2023
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5WBS
 | | Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21 | | Descriptor: | Frizzled-7,inhibitor peptide Fz7-21 | | Authors: | Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W. | | Deposit date: | 2017-06-29 | | Release date: | 2018-04-18 | | Last modified: | 2018-05-30 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
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