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7R8N
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BU of 7r8n by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C051
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, C051 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-06-26
公開日2021-08-04
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7R8O
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BU of 7r8o by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C548
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者DeLaitsch, A.T, Barnes, C.O, Bjorkman, P.J.
登録日2021-06-26
公開日2021-08-04
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7R8L
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BU of 7r8l by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody C099 and CR3022
分子名称: C099 Fab Heavy Chain, C099 Fab Light Chain, CR3022 Fab heavy chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-06-26
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7R8M
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BU of 7r8m by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C032
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者DeLaitsch, A.T, Barnes, C.O, Bjorkman, P.J.
登録日2021-06-26
公開日2021-08-04
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7N3G
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BU of 7n3g by Molmil
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C098
分子名称: C098 Fab Heavy Chain, C098 Fab Light Chain
著者Flyak, A.I, Bjorkman, P.J, Barnes, C.O.
登録日2021-06-01
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7N3F
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BU of 7n3f by Molmil
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C080
分子名称: C080 Fab Heavy Chain, C080 Fab Light Chain
著者Flyak, A.I, Bjorkman, P.J, Barnes, C.O.
登録日2021-06-01
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7N3I
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BU of 7n3i by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment C098
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C098 Fab heavy chain, C098 Fab light chain, ...
著者Flyak, A.I, Bjorkman, P.J, Barnes, C.O.
登録日2021-06-01
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7N3H
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BU of 7n3h by Molmil
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C099
分子名称: C099 Fab Heavy Chain, C099 Fab Light Chain
著者Flyak, A.I, Bjorkman, P.J, Barnes, C.O.
登録日2021-06-01
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7N3E
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BU of 7n3e by Molmil
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C032
分子名称: C032 Fab Heavy Chain, C032 Fab Light Chain
著者Flyak, A.I, Bjorkman, P.J, Barnes, C.O.
登録日2021-06-01
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
6KVA
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BU of 6kva by Molmil
Structure of anti-hCXCR2 abN48-2 in complex with its CXCR2 epitope
分子名称: 1,2-ETHANEDIOL, Peptide from C-X-C chemokine receptor type 2, heavy chain, ...
著者Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
登録日2019-09-03
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
6P6M
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BU of 6p6m by Molmil
HCV NS3/4A protease domain of genotype 1a C159 in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, CHLORIDE ION, ...
著者Timm, J, Schiffer, C.A.
登録日2019-06-04
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
To Be Published
6P6R
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BU of 6p6r by Molmil
HCV NS3/4A protease domain of genotype 1a3a chimera in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ...
著者Timm, J, Schiffer, C.A.
登録日2019-06-04
公開日2020-06-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
6P6Q
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BU of 6p6q by Molmil
HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir
分子名称: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 4A,Serine protease NS3, ...
著者Timm, J, Schiffer, C.A.
登録日2019-06-04
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
6P6Z
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BU of 6p6z by Molmil
HCV NS3/4A protease domain of genotype 4a with an extended linker in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, Non-structural protein 4A,Serine protease NS3, ...
著者Timm, J, Schiffer, C.A.
登録日2019-06-04
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
6P6L
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BU of 6p6l by Molmil
HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ...
著者Timm, J, Schiffer, C.A.
登録日2019-06-04
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.728 Å)
主引用文献HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
To Be Published
6P6S
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BU of 6p6s by Molmil
HCV NS3/4A protease domain of genotype 3a in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ...
著者Timm, J, Schiffer, C.A.
登録日2019-06-04
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
6P6V
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BU of 6p6v by Molmil
HCV NS3/4A protease domain of genotype 5a in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ...
著者Timm, J, Schiffer, C.A.
登録日2019-06-04
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
6P6O
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BU of 6p6o by Molmil
HCV NS3/4A protease domain of genotype 1a D168E in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, CHLORIDE ION, ...
著者Timm, J, Schiffer, C.A.
登録日2019-06-04
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
To Be Published
6P6T
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BU of 6p6t by Molmil
HCV NS3/4A protease domain of genotype 4a in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, Non-structural protein 4A,Serine protease NS3, ...
著者Timm, J, Schiffer, C.A.
登録日2019-06-04
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
6KVF
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BU of 6kvf by Molmil
Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope
分子名称: Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain
著者Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
登録日2019-09-04
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
6LRQ
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BU of 6lrq by Molmil
Cryo-EM structure of A53T alpha-synuclein amyloid fibril
分子名称: Alpha-synuclein
著者Sun, Y.P, Zhao, K, Liu, C.
登録日2020-01-16
公開日2020-04-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Cryo-EM structure of full-length alpha-synuclein amyloid fibril with Parkinson's disease familial A53T mutation.
Cell Res., 30, 2020
6VDM
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BU of 6vdm by Molmil
HCV NS3/4A protease A156T, D168E double mutant in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, GLYCEROL, ...
著者Timm, J, Schiffer, C.A.
登録日2019-12-27
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献RAS at position 156 of HCV NS3/4A protease abolish inhibition by current HCV drugs
To Be Published
6VDO
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BU of 6vdo by Molmil
HCV NS3/4A protease A156T, D168E double mutant
分子名称: BETA-MERCAPTOETHANOL, NS3 protease, SULFATE ION, ...
著者Timm, J, Schiffer, C.A.
登録日2019-12-27
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献apo structure of HCV NS3/4A protease A156T;D168E double mutant
To Be Published
6VDN
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BU of 6vdn by Molmil
HCV NS3/4A protease A156T mutant
分子名称: GLYCEROL, Non-structural protein 4A, Serine protease NS3, ...
著者Timm, J, Schiffer, C.A.
登録日2019-12-27
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献apo HCV protease A156T
To Be Published
6VDL
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BU of 6vdl by Molmil
HCV NS3/4A protease A156T mutant in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, GLYCEROL, ...
著者Timm, J, Schiffer, C.A.
登録日2019-12-27
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献RAS at position 156 of HCV NS3/4A protease abolish inhibition by current HCV drugs
To Be Published

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件を2024-07-10に公開中

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