7X2M
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![BU of 7x2m by Molmil](/molmil-images/mine/7x2m) | Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD | Descriptor: | 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1 | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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7X2J
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![BU of 7x2j by Molmil](/molmil-images/mine/7x2j) | Crystal structure of nanobody Nb70 with SARS-CoV RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1 | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-21 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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7X2K
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![BU of 7x2k by Molmil](/molmil-images/mine/7x2k) | Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD | Descriptor: | 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-21 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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7X2L
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![BU of 7x2l by Molmil](/molmil-images/mine/7x2l) | Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD | Descriptor: | Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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3P5O
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![BU of 3p5o by Molmil](/molmil-images/mine/3p5o) | Crystal Structure of the First Bromodomain of Human Brd4 in complex with IBET inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2010-10-09 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Suppression of inflammation by a synthetic histone mimic Nature, 468, 2010
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7XGW
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![BU of 7xgw by Molmil](/molmil-images/mine/7xgw) | |
5TUS
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![BU of 5tus by Molmil](/molmil-images/mine/5tus) | Potent competitive inhibition of human ribonucleotide reductase by a novel non-nucleoside small molecule | Descriptor: | 2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | Authors: | Mohammed, F.A, Alam, I, Dealwis, C.G. | Deposit date: | 2016-11-07 | Release date: | 2017-08-02 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Potent competitive inhibition of human ribonucleotide reductase by a nonnucleoside small molecule. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TEL
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![BU of 5tel by Molmil](/molmil-images/mine/5tel) | Pim-1 kinase in complex with a 7-azaindole | Descriptor: | 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine, IMIDAZOLE, Serine/threonine-protein kinase pim-1 | Authors: | Mechin, I, Wang, R, Batchelor, J.D. | Deposit date: | 2016-09-22 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.214 Å) | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27, 2017
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5TEX
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![BU of 5tex by Molmil](/molmil-images/mine/5tex) | Pim-1 kinase in complex with a 7-azaindole | Descriptor: | (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol, IMIDAZOLE, Serine/threonine-protein kinase pim-1 | Authors: | Mechin, I, Wang, R, Batchelor, J.D, McLean, L. | Deposit date: | 2016-09-23 | Release date: | 2017-10-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27, 2017
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5TUR
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![BU of 5tur by Molmil](/molmil-images/mine/5tur) | Pim-1 kinase in complex with a 7-azaindole | Descriptor: | 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1 | Authors: | Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D, Mclean, L. | Deposit date: | 2016-11-07 | Release date: | 2017-10-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.948 Å) | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27, 2017
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2LIA
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![BU of 2lia by Molmil](/molmil-images/mine/2lia) | Solution NMR structure of a DNA dodecamer containing the 7-aminomethyl-7-deaza-2'-deoxyguanosine adduct | Descriptor: | DNA (5'-D(*GP*AP*GP*AP*(2LA)P*CP*GP*CP*TP*CP*TP*C)-3') | Authors: | Szulik, M.W, Ganguly, M, Wang, R, Gold, B, Stone, M.P. | Deposit date: | 2011-08-26 | Release date: | 2012-08-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Site-Specific Stabilization of DNA by a Tethered Major Groove Amine, 7-Aminomethyl-7-deaza-2'-deoxyguanosine. Biochemistry, 52, 2013
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5TOE
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![BU of 5toe by Molmil](/molmil-images/mine/5toe) | Pim-1 kinase in complex with a 7-azaindole | Descriptor: | 2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1 | Authors: | Mclean, L, Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D. | Deposit date: | 2016-10-17 | Release date: | 2017-10-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27, 2017
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7Y63
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![BU of 7y63 by Molmil](/molmil-images/mine/7y63) | ApoSIDT2-pH7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ... | Authors: | Gong, D.S. | Deposit date: | 2022-06-18 | Release date: | 2023-06-21 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity. Nat Commun, 14, 2023
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7Y68
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![BU of 7y68 by Molmil](/molmil-images/mine/7y68) | SIDT2-pH5.5 plus miRNA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ... | Authors: | Gong, D.S. | Deposit date: | 2022-06-18 | Release date: | 2023-06-21 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity. Nat Commun, 14, 2023
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7Y69
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![BU of 7y69 by Molmil](/molmil-images/mine/7y69) | ApoSIDT2-pH5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ... | Authors: | Gong, D.S. | Deposit date: | 2022-06-18 | Release date: | 2023-06-21 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity. Nat Commun, 14, 2023
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7WMO
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![BU of 7wmo by Molmil](/molmil-images/mine/7wmo) | 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
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7WML
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![BU of 7wml by Molmil](/molmil-images/mine/7wml) | 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
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7WMH
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![BU of 7wmh by Molmil](/molmil-images/mine/7wmh) | 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
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7WMG
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![BU of 7wmg by Molmil](/molmil-images/mine/7wmg) | 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
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7WMN
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![BU of 7wmn by Molmil](/molmil-images/mine/7wmn) | 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
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7WMJ
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![BU of 7wmj by Molmil](/molmil-images/mine/7wmj) | 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
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7WLX
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![BU of 7wlx by Molmil](/molmil-images/mine/7wlx) | 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
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