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6H02
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BU of 6h02 by Molmil
Crystal structure of human Mediator subunit MED23
分子名称: LAMA nanobody NB106, Mediator of RNA polymerase II transcription subunit 23
著者Clantin, B, Monte, D, Villeret, V.
登録日2018-07-06
公開日2018-08-29
最終更新日2018-09-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human Mediator subunit MED23.
Nat Commun, 9, 2018
6IVD
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BU of 6ivd by Molmil
TGEV nsp1 mutant - 91-95sg
分子名称: nsp1 mutant protein
著者Shen, Z, Peng, G.Q.
登録日2018-12-03
公開日2019-08-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence.
J.Biol.Chem., 294, 2019
5HU0
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BU of 5hu0 by Molmil
BACE1 in complex with 4-(3-(furan-2-carboxamido)phenyl)-1-methyl-5-oxo-4-phenylimidazolidin-2-iminium
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-{3-[(2E,4R)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5HTZ
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BU of 5htz by Molmil
BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide
分子名称: (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
7MW3
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BU of 7mw3 by Molmil
Structure of the SARS-CoV-2 Spike trimer with two RBDs down in complex with the Fab fragment of human neutralizing antibody clone 6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hu, Y, Xiong, Y.
登録日2021-05-15
公開日2022-03-16
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW2
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BU of 7mw2 by Molmil
Structure of the SARS-CoV-2 Spike trimer with all RBDs down in complex with the Fab fragment of human neutralizing antibody clone 6
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, Fab of antibody clone 6, ...
著者Hu, Y, Xiong, Y.
登録日2021-05-15
公開日2022-03-16
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW5
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Structure of the SARS-CoV-2 Spike trimer with one RBD down in complex with the Fab fragment of human neutralizing antibody clone 2
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, Fab of antibody clone 2, ...
著者Hu, Y, Xiong, Y.
登録日2021-05-15
公開日2022-03-16
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
6J5W
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BU of 6j5w by Molmil
Ligand-triggered allosteric ADP release primes a plant NLR complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Disease resistance RPP13-like protein 4, RKS1
著者Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J.
登録日2019-01-12
公開日2019-04-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
6JDS
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BU of 6jds by Molmil
Crystal structure of truncated PRRSV nsp10 (helicase)
分子名称: PP1b, ZINC ION
著者Tang, C, Chen, Z.
登録日2019-02-02
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
6J6I
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BU of 6j6i by Molmil
Reconstitution and structure of a plant NLR resistosome conferring immunity
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ...
著者Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J.
登録日2019-01-15
公開日2019-03-20
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
6J5T
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BU of 6j5t by Molmil
Reconstitution and structure of a plant NLR resistosome conferring immunity
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ...
著者Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J.
登録日2019-01-12
公開日2019-03-20
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
6J5U
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BU of 6j5u by Molmil
Ligand-triggered allosteric ADP release primes a plant NLR complex
分子名称: Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ...
著者Wang, J.Z, Wang, J, Meijuan, H, Wang, H.W, Zhou, J.M, Chai, J.J.
登録日2019-01-12
公開日2019-04-03
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
6POH
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BU of 6poh by Molmil
Crystal Structure of EcDsbA in complex alkyl ether 21
分子名称: (6-butoxy-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-03
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6PML
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BU of 6pml by Molmil
Crystal Structure of EcDsbA in complex benzyl ether 23
分子名称: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA, ...
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6JDU
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BU of 6jdu by Molmil
Crystal structure of PRRSV nsp10 (helicase)
分子名称: CALCIUM ION, PP1b, ZINC ION
著者Tang, C, Chen, Z.
登録日2019-02-02
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
6J5V
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BU of 6j5v by Molmil
Ligand-triggered allosteric ADP release primes a plant NLR complex
分子名称: Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ...
著者Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J.
登録日2019-01-12
公開日2019-04-03
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
6PMF
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BU of 6pmf by Molmil
Crystal Structure of EcDsbA in complex with aniline 15
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(phenylamino)-1-benzofuran-3-yl]acetic acid
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-01
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6POI
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BU of 6poi by Molmil
Crystal Structure of EcDsbA in complex phenyl ether 25
分子名称: (6-phenoxy-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-04
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6POQ
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BU of 6poq by Molmil
Crystal Structure of EcDsbA in complex with anisidine 16
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, {6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-04
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
7MW4
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BU of 7mw4 by Molmil
Structure of the SARS-CoV-2 Spike trimer with one RBD down in complex with the Fab fragment of human neutralizing antibody clone 6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hu, Y, Xiong, Y.
登録日2021-05-15
公開日2022-03-16
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW6
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BU of 7mw6 by Molmil
Structure of the SARS-CoV-2 Spike trimer with three RBDs up in complex with the Fab fragment of human neutralizing antibody clone 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hu, Y, Xiong, Y.
登録日2021-05-15
公開日2022-03-16
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
5HU1
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BU of 5hu1 by Molmil
BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide
分子名称: Beta-secretase 1, N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
6JDR
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BU of 6jdr by Molmil
Crystal structure of methylated PRRSV nsp10 (helicase)
分子名称: PP1b, SULFATE ION, ZINC ION
著者Deng, Z, Tang, C, Chen, Z.
登録日2019-02-02
公開日2020-02-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
6IVC
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BU of 6ivc by Molmil
The full length of TGEV nsp1
分子名称: nsp1 protein
著者Shen, Z, Peng, G.Q.
登録日2018-12-03
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence.
J.Biol.Chem., 294, 2019
3LJ3
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BU of 3lj3 by Molmil
PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor
分子名称: (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Bard, J, Svenson, K.
登録日2010-01-25
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).
Bioorg.Med.Chem.Lett., 20, 2010

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