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7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-11-22
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
3UIM
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BU of 3uim by Molmil
Structural basis for the impact of phosphorylation on plant receptor-like kinase BAK1 activation
分子名称: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Lou, Z.Y, Yan, L.M, Ma, Y.Y.
登録日2011-11-05
公開日2012-05-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the impact of phosphorylation on the activation of plant receptor-like kinase BAK1
Cell Res., 22, 2012
7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
分子名称: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
著者Liu, Y, Ruan, K.
登録日2021-09-30
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
著者Liu, Y, Ruan, K.
登録日2021-09-29
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
3VLN
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BU of 3vln by Molmil
Human Glutathione Transferase O1-1 C32S Mutant in Complex with Ascorbic Acid
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ASCORBIC ACID, ...
著者Brock, J, Board, P.G, Oakley, A.J.
登録日2011-12-02
公開日2012-05-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
6GEV
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BU of 6gev by Molmil
Mineralocorticoid receptor in complex with (s)-13
分子名称: 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ...
著者Edman, K, Aagaard, A, Tangefjord, S.
登録日2018-04-27
公開日2019-01-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
6GG8
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BU of 6gg8 by Molmil
Mineralocorticoid receptor in complex with (s)-13
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Mineralocorticoid receptor, Nuclear receptor coactivator 1, ...
著者Edman, K, Aagaard, A, Tangefjord, S.
登録日2018-05-03
公開日2019-01-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
6GGG
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BU of 6ggg by Molmil
Mineralocorticoid receptor in complex with (s)-13
分子名称: 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ...
著者Edman, K, Aagaard, A, Tangefjord, S.
登録日2018-05-03
公開日2019-01-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
7VIJ
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BU of 7vij by Molmil
Crystal structure of USP7-HUBL domain
分子名称: Ubiquitin carboxyl-terminal hydrolase 7
著者Feng, N, Zeng, K.W.
登録日2021-09-27
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy.
Sci Adv, 8, 2022
6ICZ
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BU of 6icz by Molmil
Cryo-EM structure of a human post-catalytic spliceosome (P complex) at 3.0 angstrom
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ...
著者Zhang, X, Zhan, X, Yan, C, Shi, Y.
登録日2018-09-07
公開日2019-03-13
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
6ID0
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BU of 6id0 by Molmil
Cryo-EM structure of a human intron lariat spliceosome prior to Prp43 loaded (ILS1 complex) at 2.9 angstrom resolution
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, CWF19-like protein 2, Cell division cycle 5-like protein, ...
著者Zhang, X, Zhan, X, Yan, C, Shi, Y.
登録日2018-09-07
公開日2019-03-13
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
7XPY
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BU of 7xpy by Molmil
Crystal structure of USP7 in complex with its inhibitor
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, [(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate
著者Feng, N, Zeng, K.W.
登録日2022-05-06
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy.
Sci Adv, 8, 2022
6ID1
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BU of 6id1 by Molmil
Cryo-EM structure of a human intron lariat spliceosome after Prp43 loaded (ILS2 complex) at 2.9 angstrom resolution
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, CWF19-like protein 2, Cell division cycle 5-like protein, ...
著者Zhang, X, Zhan, X, Yan, C, Shi, Y.
登録日2018-09-07
公開日2019-03-13
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
6JLU
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BU of 6jlu by Molmil
Structure of PSII-FCP supercomplex from a centric diatom Chaetoceros gracilis at 3.02 angstrom resolution
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Pi, X, Zhao, S, Wang, W, Kuang, T, Sui, S, Shen, J.
登録日2019-03-06
公開日2019-07-31
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.
Science, 365, 2019
3RZ2
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BU of 3rz2 by Molmil
Crystal of Prl-1 complexed with peptide
分子名称: Prl-1 (PTP4A1), Protein tyrosine phosphatase type IVA 1
著者Zhang, Z.-Y, Liu, D, Bai, Y.
登録日2011-05-11
公開日2011-10-26
最終更新日2014-10-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献PRL-1 protein promotes ERK1/2 and RhoA protein activation through a non-canonical interaction with the Src homology 3 domain of p115 Rho GTPase-activating protein.
J.Biol.Chem., 286, 2011
5T1S
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BU of 5t1s by Molmil
Irak4 kinase - compound 1 co-structure
分子名称: 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4
著者Fischmann, T.O.
登録日2016-08-22
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
5T1T
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BU of 5t1t by Molmil
Irak4 kinase - compound 1 co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
著者Fischmann, T.O.
登録日2016-08-22
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
5W4Q
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BU of 5w4q by Molmil
Structure of the R18A/E28A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-06-12
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5W4P
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BU of 5w4p by Molmil
Structure of the E28A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-06-12
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5W4O
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BU of 5w4o by Molmil
Structure of the R18A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-06-12
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5WO4
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BU of 5wo4 by Molmil
JAK1 complexed with compound 28
分子名称: 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Lesburg, C.A, Patel, S.B.
登録日2017-08-01
公開日2017-12-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
6KKH
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BU of 6kkh by Molmil
Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ...
著者Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C.
登録日2019-07-25
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
6KIN
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BU of 6kin by Molmil
Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase
著者Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L.
登録日2019-07-19
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.527 Å)
主引用文献The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
6LHC
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BU of 6lhc by Molmil
The cryo-EM structure of coxsackievirus A16 empty particle
分子名称: VP1, VP2, VP3
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-07
公開日2020-02-05
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHL
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BU of 6lhl by Molmil
The cryo-EM structure of coxsackievirus A16 A-particle in complex with Fab 18A7
分子名称: VP1 protein, VP2 protein, VP3 protein
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020

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