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7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
分子名称: 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
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-21
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
分子名称: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-21
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
分子名称: 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
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
3P5O
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BU of 3p5o by Molmil
Crystal Structure of the First Bromodomain of Human Brd4 in complex with IBET inhibitor
分子名称: 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
著者Chung, C.
登録日2010-10-09
公開日2010-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Suppression of inflammation by a synthetic histone mimic
Nature, 468, 2010
7XGW
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BU of 7xgw by Molmil
Apo structure of LW domain from Trypanosoma brucei
分子名称: Transcription elongation factor s-II
著者Liao, S, Gao, J, Chen, M, Tu, X.
登録日2022-04-06
公開日2023-05-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
5TUS
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BU of 5tus by Molmil
Potent competitive inhibition of human ribonucleotide reductase by a novel non-nucleoside small molecule
分子名称: 2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
著者Mohammed, F.A, Alam, I, Dealwis, C.G.
登録日2016-11-07
公開日2017-08-02
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Potent competitive inhibition of human ribonucleotide reductase by a nonnucleoside small molecule.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5TEL
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BU of 5tel by Molmil
Pim-1 kinase in complex with a 7-azaindole
分子名称: 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
著者Mechin, I, Wang, R, Batchelor, J.D.
登録日2016-09-22
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
5TEX
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BU of 5tex by Molmil
Pim-1 kinase in complex with a 7-azaindole
分子名称: (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
著者Mechin, I, Wang, R, Batchelor, J.D, McLean, L.
登録日2016-09-23
公開日2017-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
5TUR
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BU of 5tur by Molmil
Pim-1 kinase in complex with a 7-azaindole
分子名称: 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1
著者Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D, Mclean, L.
登録日2016-11-07
公開日2017-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.948 Å)
主引用文献Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
2LIA
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BU of 2lia by Molmil
Solution NMR structure of a DNA dodecamer containing the 7-aminomethyl-7-deaza-2'-deoxyguanosine adduct
分子名称: DNA (5'-D(*GP*AP*GP*AP*(2LA)P*CP*GP*CP*TP*CP*TP*C)-3')
著者Szulik, M.W, Ganguly, M, Wang, R, Gold, B, Stone, M.P.
登録日2011-08-26
公開日2012-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Site-Specific Stabilization of DNA by a Tethered Major Groove Amine, 7-Aminomethyl-7-deaza-2'-deoxyguanosine.
Biochemistry, 52, 2013
5TOE
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BU of 5toe by Molmil
Pim-1 kinase in complex with a 7-azaindole
分子名称: 2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1
著者Mclean, L, Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D.
登録日2016-10-17
公開日2017-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
7Y63
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BU of 7y63 by Molmil
ApoSIDT2-pH7.4
分子名称: 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, ...
著者Gong, D.S.
登録日2022-06-18
公開日2023-06-21
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
7Y68
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BU of 7y68 by Molmil
SIDT2-pH5.5 plus miRNA
分子名称: 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, ...
著者Gong, D.S.
登録日2022-06-18
公開日2023-06-21
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
7Y69
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ApoSIDT2-pH5.5
分子名称: 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, ...
著者Gong, D.S.
登録日2022-06-18
公開日2023-06-21
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
7WMO
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BU of 7wmo by Molmil
A novel chemical derivative(92) of THRB agonist
分子名称: 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
著者Yao, B.Q, Li, Y.
登録日2022-01-15
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献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
分子名称: 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
著者Yao, B.Q, Li, Y.
登録日2022-01-15
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献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
分子名称: 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
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献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
分子名称: 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
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献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
分子名称: 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
著者Yao, B.Q, Li, Y.
登録日2022-01-15
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献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
分子名称: 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
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WLX
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A novel chemical derivative(53) of THRB agonist
分子名称: 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
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022

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