5L7I
 
 | | Structure of human Smoothened in complex with Vismodegib | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ... | | Authors: | Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C. | | Deposit date: | 2016-06-03 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of Smoothened regulation by its extracellular domains.
Nature, 535, 2016
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6OBV
 | | Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide synthases | | Descriptor: | fluvirucin B1 DH domain from module 1 | | Authors: | McAndrew, R.P, Barajas, J.F, Pereira, J.H, Keasling, J.D, Adams, P.D. | | Deposit date: | 2019-03-21 | | Release date: | 2019-06-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide synthases.
J Ind Microbiol Biotechnol., 46, 2019
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6U72
 | | BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA | | Descriptor: | 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4 | | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | | Deposit date: | 2019-08-31 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7U45
 | | [L344] Self-assembling tensegrity triangle with three turns, four turns and four turns of DNA per axis by extension and linker addition with P1 symmetry | | Descriptor: | DNA (31-MER), DNA (5'-D(P*AP*CP*TP*GP*AP*TP*GP*TP*GP*GP*TP*AP*GP*G)-3'), DNA (5'-D(P*AP*GP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), ... | | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-02-28 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (8.05 Å) | | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants.
Adv Mater, 34, 2022
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6UAV
 | | Crystal structure of a GH128 (subgroup II) endo-beta-1,3-glucanase from Pseudomonas viridiflava (PvGH128_II) | | Descriptor: | GLYCEROL, Glyco_hydro_cc domain-containing protein, SULFATE ION | | Authors: | Santos, C.R, Costa, P.A.C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | | Deposit date: | 2019-09-11 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
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4WUO
 | | Structure of the E270A Mutant Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH | | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, ETHANOL, ... | | Authors: | Pallo, A, Graczer, E, Olah, J, Szimler, T, Konarev, P.V, Svergun, D.I, Merli, A, Zavodszky, P, Vas, M, Weiss, M.S. | | Deposit date: | 2014-11-03 | | Release date: | 2014-11-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Glutamate 270 plays an essential role in K(+)-activation and domain closure of Thermus thermophilus isopropylmalate dehydrogenase.
Febs Lett., 589, 2015
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7M5O
 | | Cryo-EM structure of CasPhi-2 (Cas12j) bound to crRNA | | Descriptor: | CasPhi, ZINC ION, crRNA | | Authors: | Pausch, P, Soczek, K, Nogales, E, Doudna, J. | | Deposit date: | 2021-03-24 | | Release date: | 2021-08-04 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | DNA interference states of the hypercompact CRISPR-Cas Phi effector.
Nat.Struct.Mol.Biol., 28, 2021
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6O8U
 | | Crystal structure of IRAK4 in complex with compound 23 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | | Authors: | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | | Deposit date: | 2019-03-12 | | Release date: | 2019-05-22 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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6LIX
 | | CRL Protein of Arabidopsis | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromophore lyase CRL, chloroplastic | | Authors: | Wang, F.F, Guan, K.L, Sun, P.K, Xing, W.M. | | Deposit date: | 2019-12-13 | | Release date: | 2020-09-16 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (2.385 Å) | | Cite: | The Arabidopsis CRUMPLED LEAF protein, a homolog of the cyanobacterial bilin lyase, retains the bilin-binding pocket for a yet unknown function.
Plant J., 104, 2020
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7R3V
 | | Crystal structure of bovine Cytochrome bc1 in complex with inhibitor CK-2-67. | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Pinthong, N, Amporndanai, K, O'Neill, P.M, Hasnain, S.S, Antonyuk, S. | | Deposit date: | 2022-02-07 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Targeting the Ubiquinol-Reduction (Q i ) Site of the Mitochondrial Cytochrome bc 1 Complex for the Development of Next Generation Quinolone Antimalarials.
Biology (Basel), 11, 2022
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6RAZ
 | | D. melanogaster CMG-DNA, State 2B | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | Authors: | Eickhoff, P, Martino, F, Costa, A. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-18 | | Last modified: | 2021-01-20 | | Method: | ELECTRON MICROSCOPY (4.46 Å) | | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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145D
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6ODG
 | | SVQIVY, Crystal Structure of a tau protein fragment | | Descriptor: | Microtubule-associated protein tau | | Authors: | Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Seidler, P.M. | | Deposit date: | 2019-03-26 | | Release date: | 2019-10-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure-based inhibitors halt prion-like seeding by Alzheimer's disease-and tauopathy-derived brain tissue samples.
J.Biol.Chem., 294, 2019
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7R72
 | | State E1 nucleolar 60S ribosome biogenesis intermediate - Spb4 local model | | Descriptor: | 25S rRNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, 5.8S rRNA, ... | | Authors: | Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P. | | Deposit date: | 2021-06-24 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Sequence-specific remodeling of a topologically complex RNP substrate by Spb4.
Nat.Struct.Mol.Biol., 29, 2022
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7MTC
 | | Structure of freshly purified SARS-CoV-2 S2P spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Tsybovsky, Y, Olia, A.S, Kwong, P.D. | | Deposit date: | 2021-05-13 | | Release date: | 2021-09-15 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
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7R7A
 | | State E1 nucleolar 60S ribosome biogenesis intermediate - Composite model | | Descriptor: | 25S rRNA, 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ... | | Authors: | Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P. | | Deposit date: | 2021-06-24 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Sequence-specific remodeling of a topologically complex RNP substrate by Spb4.
Nat.Struct.Mol.Biol., 29, 2022
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7MTD
 | | Structure of aged SARS-CoV-2 S2P spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Tsybovsky, Y, Olia, A.S, Kwong, P.D. | | Deposit date: | 2021-05-13 | | Release date: | 2021-09-15 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
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7R6Q
 | | State E2 nucleolar 60S ribosome biogenesis intermediate - Foot region model | | Descriptor: | 25S rRNA, 5.8S rRNA, 60S ribosomal protein L13-A, ... | | Authors: | Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P. | | Deposit date: | 2021-06-23 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Sequence-specific remodeling of a topologically complex RNP substrate by Spb4.
Nat.Struct.Mol.Biol., 29, 2022
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7MTE
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6OJ1
 | | Crystal Structure of Aspergillus fumigatus Ega3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bamford, N.C, Subramanian, A.S, Millan, C, Uson, I, Howell, P.L. | | Deposit date: | 2019-04-10 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms.
J.Biol.Chem., 294, 2019
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5KJU
 | | Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroylshikimate | | Descriptor: | (3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid, Shikimate O-hydroxycinnamoyltransferase | | Authors: | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | | Deposit date: | 2016-06-20 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
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6R6A
 | | Major aspartyl peptidase 1 from C. neoformans | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endopeptidase, ... | | Authors: | Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J. | | Deposit date: | 2019-03-26 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery.
J.Med.Chem., 64, 2021
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5L8I
 | | crystal structure of human FABP6 apo-protein | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, Gastrotropin, ... | | Authors: | Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P. | | Deposit date: | 2016-06-08 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
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6QXB
 | | NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli | | Descriptor: | PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | Deposit date: | 2019-03-07 | | Release date: | 2019-05-29 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
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6OBT
 | | Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide synthases | | Descriptor: | Borrelidin polyketide synthase, type I | | Authors: | McAndrew, R.P, Barajas, J.F, Pereira, J.H, Keasling, J.D, Adams, P.D. | | Deposit date: | 2019-03-21 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide synthases.
J Ind Microbiol Biotechnol., 46, 2019
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