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6IWK
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BU of 6iwk by Molmil
The Structure of Maltooligosaccharide-forming Amylase from Pseudomonas saccharophila STB07
分子名称: CALCIUM ION, GLYCEROL, Glucan 1,4-alpha-maltotetraohydrolase
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
登録日2018-12-05
公開日2019-12-11
最終更新日2021-03-31
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
6JQB
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BU of 6jqb by Molmil
The structure of maltooligosaccharide-forming amylase from Pseudomonas saccharophila STB07 with pseudo-maltoheptaose
分子名称: 1,2-ETHANEDIOL, ACARBOSE DERIVED HEPTASACCHARIDE, CALCIUM ION, ...
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
登録日2019-03-30
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
6K0R
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BU of 6k0r by Molmil
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E.
登録日2019-05-07
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
5I3P
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BU of 5i3p by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27
分子名称: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
著者Noble, C.G.
登録日2016-02-10
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5I3Q
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BU of 5i3q by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29
分子名称: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
著者Noble, C.G.
登録日2016-02-10
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
7WPV
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BU of 7wpv by Molmil
Fab14 - a SARS-CoV2 RBD neutralising antibody
分子名称: Fab14 heavy chain, Fab14 light chain
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2022-01-24
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2022-01-23
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
8GB0
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BU of 8gb0 by Molmil
SARS-CoV-2 Spike H655Y variant, One RBD Open
分子名称: Spike glycoprotein
著者Egri, S.B, Shen, K, Luban, J.
登録日2023-02-24
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献S:D614G and S:H655Y are gateway mutations that act epistatically to promote SARS-CoV-2 variant fitness.
Biorxiv, 2023
8JPX
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BU of 8jpx by Molmil
Cryo-EM structure of PfAgo-guide DNA-target DNA complex
分子名称: Excess DNA, Guide DNA, MAGNESIUM ION, ...
著者Zhuang, L.
登録日2023-06-13
公開日2024-01-31
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
5Z7L
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BU of 5z7l by Molmil
Crystal structure of NDP52 SKICH region in complex with NAP1
分子名称: 5-azacytidine-induced protein 2, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL
著者Fu, T, Pan, L.F.
登録日2018-01-29
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YUP
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BU of 5yup by Molmil
Crystal Structure of the Fab fragment of FVIIa antibody mAb4F5
分子名称: the heavy chain of the Fab fragment of FVIIa antibody mAb4F5, the light chain of the Fab fragment of FVIIa antibody mAb4F5
著者Jiang, L.G, Persson, E, Huang, M.D.
登録日2017-11-22
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure, epitope, and functional impact of an antibody against a superactive FVIIa provide insights into allosteric mechanism.
Res Pract Thromb Haemost, 3, 2019
6A7U
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BU of 6a7u by Molmil
Crystal structure of histone H2A.Bbd-H2B dimer
分子名称: Histone H2B type 2-E,Histone H2A-Bbd type 2/3
著者Dai, L, Zhou, Z.
登録日2018-07-04
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the histone heterodimer containing histone variant H2A.Bbd.
Biochem. Biophys. Res. Commun., 503, 2018
8K67
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BU of 8k67 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M165V mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6B
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BU of 8k6b by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/M165V mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6A
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BU of 8k6a by Molmil
Crystal structure of SARS-CoV-2 3CLpro S301P mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6C
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BU of 8k6c by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K68
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BU of 8k68 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6D
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BU of 8k6d by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant in complex with WU-04
分子名称: 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
6AKY
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BU of 6aky by Molmil
The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide, C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ...
著者Zhu, Y, Zhao, Q, Wu, B.
登録日2018-09-04
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
6AKX
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BU of 6akx by Molmil
The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21
分子名称: C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ...
著者Zhu, Y, Zhao, Q, Wu, B.
登録日2018-09-04
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
2JC2
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BU of 2jc2 by Molmil
The crystal structure of the natural F112L human sorcin mutant
分子名称: SORCIN, SULFATE ION
著者Franceschini, S, Ilari, A, Colotti, G, Chiancone, E.
登録日2006-12-19
公開日2007-08-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Basis for the Impaired Function of the Natural F112L Sorcin Mutant: X-Ray Crystal Structure, Calcium Affinity, and Interaction with Annexin Vii and the Ryanodine Receptor.
Faseb J., 22, 2008
6IUH
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BU of 6iuh by Molmil
Crystal structure of GIT1 PBD domain in complex with Liprin-alpha2
分子名称: ARF GTPase-activating protein GIT1, IODIDE ION, Liprin-alpha-2
著者Liang, M, Wei, Z.
登録日2018-11-28
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of the target-binding mode of the G protein-coupled receptor kinase-interacting protein in the regulation of focal adhesion dynamics.
J. Biol. Chem., 294, 2019
6IUI
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BU of 6iui by Molmil
Crystal structure of GIT1 PBD domain in complex with Paxillin LD4 motif
分子名称: ARF GTPase-activating protein GIT1, Paxillin
著者Liang, M, Wei, Z.
登録日2018-11-28
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of the target-binding mode of the G protein-coupled receptor kinase-interacting protein in the regulation of focal adhesion dynamics.
J. Biol. Chem., 294, 2019
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
著者Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
登録日2022-05-30
公開日2022-09-14
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7F2M
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BU of 7f2m by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 18d
分子名称: (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
著者Huang, Y.-Y, He, X, Luo, H.-B.
登録日2021-06-11
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.20004153 Å)
主引用文献Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021

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