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5V8O
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BU of 5v8o by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION
Authors:Hall, J.
Deposit date:2017-03-22
Release date:2017-09-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
6NTE
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BU of 6nte by Molmil
Crystal Structure of Synechocystis Dihydroxyacid Dehydratase (DHAD)
Descriptor: Dihydroxy-acid dehydratase
Authors:MacTavish, B, Bruner, S.
Deposit date:2019-01-29
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Cyanobacterial Dihydroxyacid Dehydratases Are a Promising Growth Inhibition Target.
Acs Chem.Biol., 15, 2020
6PMO
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BU of 6pmo by Molmil
Co-crystal structure of the Geobacillus kaustophilus glyQ T-box riboswitch discriminator domain in complex with tRNA-Gly
Descriptor: IRIDIUM ION, MAGNESIUM ION, T-box riboswitch discriminator, ...
Authors:Li, S, Zhang, J.
Deposit date:2019-07-02
Release date:2019-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65703368 Å)
Cite:Structural basis of amino acid surveillance by higher-order tRNA-mRNA interactions.
Nat.Struct.Mol.Biol., 26, 2019
6POM
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BU of 6pom by Molmil
Cryo-EM structure of the full-length Bacillus subtilis glyQS T-box riboswitch in complex with tRNA-Gly
Descriptor: T-box GlyQS leader (155-MER), tRNAGly (75-MER)
Authors:Li, S, Su, Z, Zhang, J, Chiu, W.
Deposit date:2019-07-04
Release date:2019-11-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural basis of amino acid surveillance by higher-order tRNA-mRNA interactions.
Nat.Struct.Mol.Biol., 26, 2019
6Q0S
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BU of 6q0s by Molmil
Crystal Structure of RSV strain B18537 Prefusion-stabilized glycoprotein F Variant DS-Cav1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, SULFATE ION
Authors:Joyce, M.G, Bao, A, Kwong, P.D.
Deposit date:2019-08-02
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure and Immunogenicity of the DS-Cav1-Stabilized Fusion Glycoprotein From Respiratory Syncytial Virus Subtype B.
Pathog Immun, 4, 2019
4O27
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BU of 4o27 by Molmil
Crystal structure of MST3-MO25 complex with WIF motif
Descriptor: 5-mer peptide from serine/threonine-protein kinase 24, ADENOSINE-5'-DIPHOSPHATE, Calcium-binding protein 39, ...
Authors:Hao, Q, Feng, M, Zhou, Z.C.
Deposit date:2013-12-16
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.185 Å)
Cite:Structural insights into regulatory mechanisms of MO25-mediated kinase activation.
J.Struct.Biol., 186, 2014
4NZW
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BU of 4nzw by Molmil
Crystal Structure of STK25-MO25 Complex
Descriptor: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase 25
Authors:Feng, M, Hao, Q, Zhou, Z.C.
Deposit date:2013-12-13
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.583 Å)
Cite:Structural insights into regulatory mechanisms of MO25-mediated kinase activation.
J.Struct.Biol., 186, 2014
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
Descriptor: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
5CVY
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BU of 5cvy by Molmil
The Structure of Bacillus pumilus GH48 in complex with cellobiose and cellohexaose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2015-07-27
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural diversity of glycoside hydrolase family 48 exoglucanases: insights from structure.
Biotechnol Biofuels, 10, 2017
6WL5
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BU of 6wl5 by Molmil
Crystal structure of EcmrR C-terminal domain
Descriptor: 1,2-ETHANEDIOL, CETYL-TRIMETHYL-AMMONIUM, CHLORIDE ION, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-04-18
Release date:2021-04-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XCL
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BU of 6xcl by Molmil
Crystal Structure of human telomeric DNA G-quadruplex in complex with a novel platinum(II) complex.
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION, ...
Authors:Miron, C.E, van Staalduinen, L.M, Jia, Z, Petitjean, A.
Deposit date:2020-06-08
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Going Platinum to the Tune of a Remarkable Guanine Quadruplex Binder: Solution- and Solid-State Investigations.
Angew.Chem.Int.Ed.Engl., 60, 2021
6IUR
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BU of 6iur by Molmil
A phosphatase complex STRN3-PP2Aa
Descriptor: PP2A scaffolding subunit, PROPANE, Striatin-3
Authors:Tang, Y, Zhou, Z.C.
Deposit date:2018-11-30
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Selective Inhibition of STRN3-Containing PP2A Phosphatase Restores Hippo Tumor-Suppressor Activity in Gastric Cancer.
Cancer Cell, 38, 2020
4JJJ
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BU of 4jjj by Molmil
The structure of T. fusca GH48 D224N mutant
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2013-03-07
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cel48A from Thermobifida fusca: structure and site directed mutagenesis of key residues.
Biotechnol.Bioeng., 111, 2014
7FAX
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BU of 7fax by Molmil
Complex structure of TbLeo1 and LW domain from Trypanosoma brucei
Descriptor: TbLW, TbLeo1 peptide
Authors:Liao, S, Gao, J, Tu, X.
Deposit date:2021-07-07
Release date:2022-07-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
8HK7
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BU of 8hk7 by Molmil
Structure of PKD2-F604P (Polycystin-2, TRPP2) with ML-SA1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, CALCIUM ION, ...
Authors:Chen, M.Y, Su, Q, Wang, Z.F, Yu, Y.
Deposit date:2022-11-25
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular and structural basis of the dual regulation of the polycystin-2 ion channel by small-molecule ligands.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FAW
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BU of 7faw by Molmil
Structure of LW domain from Yeast
Descriptor: Transcription elongation factor S-II
Authors:Liao, S, Gao, J, Tu, X.
Deposit date:2021-07-07
Release date:2022-07-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
5H6V
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BU of 5h6v by Molmil
Structure of Zika virus protease in complex with a dipeptide inhibitor
Descriptor: (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, Genome polyprotein
Authors:Zhang, Z, Chen, M.
Deposit date:2016-11-15
Release date:2017-06-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.422 Å)
Cite:Structural Dynamics of Zika Virus NS2B-NS3 Protease Binding to Dipeptide Inhibitors
Structure, 25, 2017
7C24
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BU of 7c24 by Molmil
Glycosidase F290Y at pH8.0
Descriptor: AMMONIUM ION, GLYCEROL, Isomaltose glucohydrolase
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
7C25
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BU of 7c25 by Molmil
Glycosidase Wild Type at pH8.0
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.505 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
7C26
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BU of 7c26 by Molmil
Glycosidase Wild Type at pH4.5
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
7C27
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BU of 7c27 by Molmil
Glycosidase F290Y at pH4.5
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
4ZYK
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BU of 4zyk by Molmil
Crystal Structure of Quaternary-Specific RSV-Neutralizing Human Antibody AM14
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, AM14 Fab heavy chain, ...
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2015-05-21
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein.
Plos Pathog., 11, 2015
4ZYP
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BU of 4zyp by Molmil
Crystal Structure of Motavizumab and Quaternary-Specific RSV-Neutralizing Human Antibody AM14 in Complex with Prefusion RSV F Glycoprotein
Descriptor: AM14 antibody Fab heavy chain, AM14 antibody light chain, Fusion glycoprotein F0,Fibritin, ...
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2015-05-21
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein.
Plos Pathog., 11, 2015
8EPX
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BU of 8epx by Molmil
Type IIS Restriction Endonuclease PaqCI, DNA bound
Descriptor: CALCIUM ION, DNA 1a, DNA 1b, ...
Authors:Kennedy, M.A, Stoddard, B.L.
Deposit date:2022-10-06
Release date:2023-03-22
Last modified:2023-06-07
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structures, activity and mechanism of the Type IIS restriction endonuclease PaqCI.
Nucleic Acids Res., 51, 2023
8EM1
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BU of 8em1 by Molmil
Type IIS Restriction Endonuclease PaqCI, DNA Unbound
Descriptor: 1,2-ETHANEDIOL, PaqCI, DNA Unbound
Authors:Kennedy, M.A, Stoddard, B.L.
Deposit date:2022-09-26
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures, activity and mechanism of the Type IIS restriction endonuclease PaqCI.
Nucleic Acids Res., 51, 2023

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