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7CZW
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BU of 7czw by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-2G7
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, IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7XS8
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BU of 7xs8 by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-1H1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, P5S-1H1 Heavy chain, P5S-1H1 Light chain, ...
著者Wang, X, Wang, Z.
登録日2022-05-13
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSA
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BU of 7xsa by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P2S-2E9 Fab
分子名称: P2S-2E9 Heavy chain, P2S-2E9 Light chain, Spike protein S1
著者Wang, X, Wang, Z.
登録日2022-05-13
公開日2023-05-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSB
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BU of 7xsb by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-3B11 Fab
分子名称: P5S-3B11 Heavy chain, P5S-3B11 Light chain, Spike protein S1
著者Wang, X, Wang, Z, Gao, M.
登録日2022-05-13
公開日2023-05-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSC
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BU of 7xsc by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-2B10
分子名称: P5S-2B10 Heavy chain, P5S-2B10 Light chain, Spike protein S1
著者Wang, X, Wang, Z, Lin, Z.
登録日2022-05-13
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
8FSJ
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BU of 8fsj by Molmil
Cryo-EM structure of engineered hepatitis C virus E1E2 ectodomain in complex with antibodies AR4A, HEPC74, and IGH520
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, AR4A heavy chain, ...
著者Metcalf, M.C, Ofek, G.
登録日2023-01-10
公開日2023-07-19
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structure of engineered hepatitis C virus E1E2 ectodomain in complex with neutralizing antibodies.
Nat Commun, 14, 2023
5Z1S
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BU of 5z1s by Molmil
Crystal Structure Analysis of the BRD4(1)
分子名称: 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日2017-12-28
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
5Z1R
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BU of 5z1r by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日2017-12-28
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
5Z1T
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BU of 5z1t by Molmil
Crystal Structure Analysis of the BRD4(1)
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日2017-12-28
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
8IDM
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BU of 8idm by Molmil
Crystal structure of nanobody VHH-227 with nanobody VHH-T71 and MERS-CoV RBD
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, Spike protein S1, ...
著者Wang, X, Tian, L.
登録日2023-02-13
公開日2024-02-28
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Structural Definition of a Novel Nanobody Binding Site specifically targeting the MERS-CoV RBD Core-Domain with Neutralizing Capacity
To Be Published
8IEE
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BU of 8iee by Molmil
Crystal structure of nanobody VHH-31 with MERS-CoV RBD
分子名称: Spike protein S1, VHH-31
著者Wang, X, Tian, L.
登録日2023-02-15
公開日2024-02-28
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structures and neutralizing mechanisms of camel nanobodies targeting the receptor-binding domain of MERS-CoV spike glycoprotein
To Be Published
8IDO
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BU of 8ido by Molmil
Crystal structure of nanobody VHH-T148 with MERS-CoV RBD
分子名称: Spike protein S1, VHH-T148, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wang, X, Tian, L.
登録日2023-02-14
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures and neutralizing mechanisms of camel nanobodies targeting the receptor-binding domain of MERS-CoV spike glycoprotein
To Be Published
8IFN
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BU of 8ifn by Molmil
MERS-CoV spike trimer in complex with nanobody VHH-T148
分子名称: Spike glycoprotein, VHH-T148, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wang, X, Tian, L.
登録日2023-02-19
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures and neutralizing mechanisms of camel nanobodies targeting the receptor-binding domain of MERS-CoV spike glycoprotein
To Be Published
8IDI
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BU of 8idi by Molmil
Crystal structure of nanobody VHH-T71 with MERS-CoV RBD
分子名称: Spike protein S1, VHH-T71, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-3)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wang, X, Tian, L.
登録日2023-02-13
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structural Definition of a Novel Nanobody Binding Site specifically targeting the MERS-CoV RBD Core-Domain with Neutralizing Capacity
To Be Published
6JWE
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BU of 6jwe by Molmil
structure of RET G-quadruplex in complex with colchicine
分子名称: DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
著者Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C.
登録日2019-04-20
公開日2020-02-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
6JWD
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BU of 6jwd by Molmil
structure of RET G-quadruplex in complex with berberine
分子名称: BERBERINE, DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3')
著者Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C.
登録日2019-04-19
公開日2020-04-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
3V5L
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BU of 3v5l by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
分子名称: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-16
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V8T
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BU of 3v8t by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3VF8
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BU of 3vf8 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416
分子名称: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V8W
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BU of 3v8w by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469
分子名称: 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
6JEP
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BU of 6jep by Molmil
Structure of a neutralizing antibody bound to the Zika envelope protein domain III
分子名称: Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10
著者Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
登録日2019-02-07
公開日2019-05-15
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.316 Å)
主引用文献Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
7BX7
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BU of 7bx7 by Molmil
Cryo-EM structure of amyloid fibril formed by hnRNPA1 low complexity domain
分子名称: Heterogeneous nuclear ribonucleoprotein A1
著者Sun, Y.P, Zhao, K, Liu, C, Li, D.
登録日2020-04-17
公開日2020-11-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The nuclear localization sequence mediates hnRNPA1 amyloid fibril formation revealed by cryoEM structure.
Nat Commun, 11, 2020
7BPB
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BU of 7bpb by Molmil
Human AAA+ ATPase VCP mutant - T76E, AMP-PNP bound form, Conformation I
分子名称: ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Yang, C, Zhang, H.
登録日2020-03-22
公開日2021-03-31
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7BP9
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BU of 7bp9 by Molmil
Human AAA+ ATPase VCP mutant - T76E, ADP-bound form
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Yang, C, Zhang, H.
登録日2020-03-21
公開日2021-03-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7BPA
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BU of 7bpa by Molmil
Human AAA+ ATPase VCP mutant - T76A, AMP-PNP-bound form, Conformation I
分子名称: ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Yang, C, Zhang, H.
登録日2020-03-21
公開日2021-03-31
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022

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