8IB0
 
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3K98
 | | HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide | | Descriptor: | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION | | Authors: | Gajiwala, K.S, Davies II, J.F. | | Deposit date: | 2009-10-15 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
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6TF2
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6XGQ
 | | YSD1 bacteriophage capsid | | Descriptor: | YSD1_16, YSD1_17 | | Authors: | Hardy, J.M, Dunstan, R, Venugopal, H, Lithgow, T.J, Coulibaly, F.J. | | Deposit date: | 2020-06-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The architecture and stabilisation of flagellotropic tailed bacteriophages.
Nat Commun, 11, 2020
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6YG1
 | | Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, SODIUM ION | | Authors: | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC), Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2020-03-27 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
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6YL5
 | | Crystal structure of the SAM-SAH riboswitch with SAH | | Descriptor: | Chains: A,B,C,D,E,F,G,H,I,J,K,L, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Huang, L, Lilley, D.M.J. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 2020
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6YMI
 | | Crystal structure of the SAM-SAH riboswitch with AMP. | | Descriptor: | 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ADENOSINE MONOPHOSPHATE, Chains: A,C,F,I,M,O, ... | | Authors: | Huang, L, Lilley, D.M.J. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
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8PXS
 | | Short RNA binding to peptide amyloids | | Descriptor: | RNA (5'-R(P*GP*UP*CP*A)-3'), VAL-ALA-GLN-ALA-GLN-ILE-ASN-ILE | | Authors: | Rout, S.K, Cadalbert, R, Schroder, N, Wiegand, T, Zehnder, J, Gampp, O, Guntert, P, Kringler, D, Kreutz, C, Knorlein, A, Hall, J, Greenwald, J, Riek, R. | | Deposit date: | 2023-07-24 | | Release date: | 2023-10-18 | | Method: | SOLID-STATE NMR | | Cite: | An Analysis of Nucleotide-Amyloid Interactions Reveals Selective Binding to Codon-Sized RNA.
J.Am.Chem.Soc., 145, 2023
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4RV3
 | | Crystal structure of a pentafluoro-Phe incorporated Phosphatidylinositol-specific phospholipase C (H258X)from Staphylococcus aureus | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION | | Authors: | He, T, Gershenson, A, Eyles, S.J, Gao, J, Roberts, M.F. | | Deposit date: | 2014-11-24 | | Release date: | 2015-07-01 | | Last modified: | 2018-08-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fluorinated Aromatic Amino Acids Distinguish Cation-pi Interactions from Membrane Insertion.
J.Biol.Chem., 290, 2015
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6YG2
 | | Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes | | Descriptor: | 1,2-ETHANEDIOL, 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, ... | | Authors: | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-03-27 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
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5D39
 | | Transcription factor-DNA complex | | Descriptor: | DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6 | | Authors: | Li, J, Niu, F, Ouyang, S, Liu, Z. | | Deposit date: | 2015-08-06 | | Release date: | 2016-08-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
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3K99
 | | HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol | | Descriptor: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Gajiwala, K.S, Davies II, J.F. | | Deposit date: | 2009-10-15 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
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6TFH
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6XGR
 | | YSD1 major tail protein | | Descriptor: | YSD1_22 major tail protein | | Authors: | Hardy, J.M, Dunstan, R, Venugopal, H, Lithgow, T.J, Coulibaly, F.J. | | Deposit date: | 2020-06-17 | | Release date: | 2020-07-01 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The architecture and stabilisation of flagellotropic tailed bacteriophages.
Nat Commun, 11, 2020
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8D1G
 | | hBest2 Ca2+-bound open state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | | Deposit date: | 2022-05-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.07 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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8D1O
 | | hBest1_345 Ca2+-bound open state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | | Deposit date: | 2022-05-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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8D1I
 | | hBest1 1uM Ca2+ (Ca2+-bound) closed state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | | Deposit date: | 2022-05-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (1.82 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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8D1K
 | | hBest1 Ca2+-bound partially open neck state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | | Deposit date: | 2022-05-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.28 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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8D1N
 | | bBest2_345 Ca2+-bound open state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin, ... | | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | | Deposit date: | 2022-05-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (1.93 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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6TFG
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8D1F
 | | hBest2 5mM Ca2+ (Ca2+-bound) closed state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | | Deposit date: | 2022-05-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (1.82 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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3K97
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8D1E
 | | hBest2 1uM Ca2+ (Ca2+-bound) closed state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | | Deposit date: | 2022-05-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (1.78 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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8D1L
 | | hBest1 Ca2+-bound partially open aperture state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION, ... | | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | | Deposit date: | 2022-05-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.12 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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8D1J
 | | hBest1 5mM Ca2+ (Ca2+-bound) closed state | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | | Deposit date: | 2022-05-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.05 Å) | | Cite: | Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
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