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6ZDG
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BU of 6zdg by Molmil
Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
著者Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-06-14
公開日2020-07-29
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZER
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BU of 6zer by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with EY6A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
著者Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-06-16
公開日2020-06-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
5E06
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BU of 5e06 by Molmil
Structure of Sin Nombre virus nucleoprotein in long-axis crystal form
分子名称: Nucleocapsid protein
著者Guo, Y, Wang, W.M, Lou, Z.Y.
登録日2015-09-28
公開日2015-12-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Crystal Structure of the Core Region of Hantavirus Nucleocapsid Protein Reveals the Mechanism for Ribonucleoprotein Complex Formation
J.Virol., 90, 2015
5E05
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BU of 5e05 by Molmil
Structure of Sin Nombre virus nucleoprotein in shot-axis crystal form
分子名称: Nucleocapsid protein, PHOSPHATE ION
著者Guo, Y, Wang, W.M, Lou, Z.Y.
登録日2015-09-28
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the Core Region of Hantavirus Nucleocapsid Protein Reveals the Mechanism for Ribonucleoprotein Complex Formation
J.Virol., 90, 2015
8YRP
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BU of 8yrp by Molmil
SARS-CoV-2 Delta Spike in complex with JM-1A
分子名称: JM-1A Heavy Chain, JM-1A Light Chain, Spike glycoprotein
著者Nguyen, V.H.T, Chen, X.
登録日2024-03-21
公開日2024-06-05
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8YZ5
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BU of 8yz5 by Molmil
SARS-CoV-2 Delta Spike in complex with Fab of JE-5C
分子名称: Fab heavy chain of JE-5C, Fab light chain of JE-5C, Spike glycoprotein
著者Chen, X, Wu, Y.-M.
登録日2024-04-06
公開日2024-06-05
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8YRO
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BU of 8yro by Molmil
SARS-CoV-2 Delta Spike in complex with JL-8C
分子名称: JL-8C Heavy Chain, JL-8C Light Chain, Spike glycoprotein
著者Nguyen, V.H.T, Chen, X.
登録日2024-03-21
公開日2024-06-05
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8YZ6
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BU of 8yz6 by Molmil
SARS-CoV-2 Spike (BA.1) in complex with Fab of JH-8B
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 heavy chain of JH-8B, ...
著者Chen, X, Wu, Y.-M.
登録日2024-04-06
公開日2024-06-05
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.55 Å)
主引用文献The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
6ZCZ
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BU of 6zcz by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ...
著者Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-06-12
公開日2020-06-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
5CEO
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BU of 5ceo by Molmil
DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile
分子名称: 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CIO
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BU of 5cio by Molmil
Crystal structure of PqqF
分子名称: ZINC ION, pyrroloquinoline quinone biosynthesis protein PqqF
著者Wei, Q, Xu, D, Ran, T, Wang, W.
登録日2015-07-13
公開日2016-06-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure and Function of PqqF Protein in the Pyrroloquinoline Quinone Biosynthetic Pathway
J.Biol.Chem., 291, 2016
5CEN
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BU of 5cen by Molmil
Crystal structure of DLK (kinase domain)
分子名称: Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5E04
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BU of 5e04 by Molmil
Crystal structure of Andes virus nucleoprotein
分子名称: Nucleoprotein
著者Guo, Y, Wang, W.M, Lou, Z.Y.
登録日2015-09-28
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of the Core Region of Hantavirus Nucleocapsid Protein Reveals the Mechanism for Ribonucleoprotein Complex Formation
J.Virol., 90, 2015
2LY0
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BU of 2ly0 by Molmil
Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332
分子名称: (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, Membrane ion channel M2
著者Wu, Y, Wang, J, DeGrado, W.
登録日2012-09-10
公開日2013-01-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.
Proc.Natl.Acad.Sci.USA, 110, 2013
2MUV
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BU of 2muv by Molmil
NOE-based model of the influenza A virus M2 (19-49) bound to drug 11
分子名称: (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2
著者Wu, Y, Wang, J, DeGrado, W.
登録日2014-09-18
公開日2014-12-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.
J.Am.Chem.Soc., 136, 2014
5CEP
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BU of 5cep by Molmil
DLK in complex with inhibitor N-(1-isopropyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
分子名称: Mitogen-activated protein kinase kinase kinase 12, N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEQ
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BU of 5ceq by Molmil
DLK in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile
分子名称: 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
2MUW
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BU of 2muw by Molmil
NOE-based model of the influenza A virus N31S mutant (19-49) bound to drug 11
分子名称: (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2
著者Wu, Y, Wang, J, DeGrado, W.
登録日2014-09-18
公開日2014-12-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.
J.Am.Chem.Soc., 136, 2014
4PNU
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BU of 4pnu by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((R)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4OVH
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BU of 4ovh by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4PNW
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BU of 4pnw by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4PNV
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BU of 4pnv by Molmil
E. coli sliding clamp apo-crystal in P21 space group with larger cell dimensions
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
7YCK
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BU of 7yck by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with FP-12A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, FP-12A Fab light chain, ...
著者Nguyen, V.H.T, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7YCL
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BU of 7ycl by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ...
著者Mohapatra, A, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7YCN
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BU of 7ycn by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IY-2A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IY-2A Fab heavy chain, IY-2A Fab light chain, ...
著者Mohapatra, A, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023

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