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7X84
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BU of 7x84 by Molmil
Cryo-EM structure of the TMEM106B fibril from Parkinson's disease dementia
Descriptor: Transmembrane protein 106B
Authors:Zhao, Q.Y, Xia, W.C, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C.
Deposit date:2022-03-11
Release date:2022-06-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders.
Cell Res., 32, 2022
6N4X
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BU of 6n4x by Molmil
Metabotropic Glutamate Receptor 5 Apo Form Ligand Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 5
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6N52
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BU of 6n52 by Molmil
Metabotropic Glutamate Receptor 5 Apo Form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6N51
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BU of 6n51 by Molmil
Metabotropic Glutamate Receptor 5 bound to L-quisqualate and Nb43
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6N4Y
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BU of 6n4y by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain with Nb43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.262 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6NPP
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BU of 6npp by Molmil
Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments
Descriptor: 3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid, EBNA1, Epstein-Barr nuclear antigen 1
Authors:Messick, T.E.
Deposit date:2019-01-18
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Sci Transl Med, 11, 2019
7WMO
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BU of 7wmo by Molmil
A novel chemical derivative(92) of THRB agonist
Descriptor: 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-15
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WML
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BU of 7wml by Molmil
A novel chemical derivative(85) of THRB agonist
Descriptor: 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-15
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMJ
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BU of 7wmj by Molmil
A novel chemical derivative(71) of THRB agonist
Descriptor: 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMH
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BU of 7wmh by Molmil
A novel chemical derivative(56) of THRB agonist
Descriptor: 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WLX
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BU of 7wlx by Molmil
A novel chemical derivative(53) of THRB agonist
Descriptor: 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMG
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BU of 7wmg by Molmil
A novel chemical derivative(52) of THRB agonist
Descriptor: 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMN
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BU of 7wmn by Molmil
A novel chemical derivative(89) of THRB agonist
Descriptor: 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-15
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
6LT7
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BU of 6lt7 by Molmil
Crystal structure of human RPP20-RPP25 proteins in complex with the P3 domain of lncRNA RMRP
Descriptor: 1,2-ETHANEDIOL, 50-mer RNA, Ribonuclease P protein subunit p20, ...
Authors:Huang, J, Yin, C.
Deposit date:2020-01-21
Release date:2021-01-27
Last modified:2021-04-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human RPP20-RPP25 proteins in complex with the P3 domain of lncRNA RMRP.
J.Struct.Biol., 213, 2021
6NPM
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BU of 6npm by Molmil
Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments
Descriptor: 5-(phenylethynyl)pyridine-3-carboxylic acid, Epstein-Barr nuclear antigen 1
Authors:Messick, T.E.
Deposit date:2019-01-17
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Sci Transl Med, 11, 2019
6MNZ
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BU of 6mnz by Molmil
Crystal structure of RibBX, a two domain 3,4-dihydroxy-2-butanone 4-phosphate synthase from A. baumannii.
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CHLORIDE ION, SULFATE ION
Authors:Wang, J, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2018-10-03
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Multi-metal Restriction by Calprotectin Impacts De Novo Flavin Biosynthesis in Acinetobacter baumannii.
Cell Chem Biol, 26, 2019
6MAB
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BU of 6mab by Molmil
1.7A resolution structure of RsbU from Chlamydia trachomatis (periplasmic domain)
Descriptor: ISOPROPYL ALCOHOL, Sigma regulatory family protein-PP2C phosphatase
Authors:Dmitriev, A, Lovell, S, Battaile, K.P, Soules, K, Hefty, P.S.
Deposit date:2018-08-27
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and ligand binding analyses of the periplasmic sensor domain of RsbU in Chlamydia trachomatis support a role in TCA cycle regulation.
Mol.Microbiol., 113, 2020
6NM3
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BU of 6nm3 by Molmil
NMR structure of WW295
Descriptor: WW295 peptide
Authors:Wang, G, Zarena, D.
Deposit date:2019-01-10
Release date:2020-07-15
Last modified:2020-09-09
Method:SOLUTION NMR
Cite:Two distinct amphipathic peptide antibiotics with systemic efficacy.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NPI
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BU of 6npi by Molmil
Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments
Descriptor: ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid, 2-pyrrol-1-ylbenzoic acid, Epstein-Barr nuclear antigen 1
Authors:Messick, T.E.
Deposit date:2019-01-17
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Sci Transl Med, 11, 2019
7XPZ
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BU of 7xpz by Molmil
Structure of Apo-hSLC19A1
Descriptor: Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ0
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BU of 7xq0 by Molmil
Structure of hSLC19A1+3'3'-CDA
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ2
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BU of 7xq2 by Molmil
Structure of hSLC19A1+2'3'-cGAMP
Descriptor: Reduced folate transporter, cGAMP
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ1
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BU of 7xq1 by Molmil
Structure of hSLC19A1+2'3'-CDAS
Descriptor: (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
6N50
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BU of 6n50 by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6NZR
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BU of 6nzr by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
Descriptor: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019

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