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9J7U
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H176A mutant of human G6PC1 in complex with G6P
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 6-O-phosphono-beta-D-glucopyranose, Glucose-6-phosphatase catalytic subunit 1
著者Jiang, D.H, Xia, Z.Y.
登録日2024-08-19
公開日2025-02-05
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural insights into glucose-6-phosphate recognition and hydrolysis by human G6PC1.
Proc.Natl.Acad.Sci.USA, 122, 2025
8U1D
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BU of 8u1d by Molmil
Cryo-EM structure of vaccine-elicited CD4 binding site antibody DH1285 bound to HIV-1 CH505TFchim.6R.SOSIP.664v4.1 Env Local Refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1285 Heavy Chain, DH1285 Light Chain, ...
著者Thakur, B, Stalls, V.D, Acharya, P.
登録日2023-08-31
公開日2024-01-03
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Vaccine induction of CD4-mimicking HIV-1 broadly neutralizing antibody precursors in macaques.
Cell, 187, 2024
8XXS
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BU of 8xxs by Molmil
Crystal structure of PDE4D catalytic domain complexed with L11
分子名称: 2-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]-1-benzofuran-6-ol, MAGNESIUM ION, ZINC ION, ...
著者Wu, D, Huang, Y.-Y, Luo, H.-B.
登録日2024-01-19
公開日2025-01-22
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.10000944 Å)
主引用文献5-hydroxymethylcytosine features of portal venous blood predict metachronous liver metastases of colorectal cancer and reveal phosphodiesterase 4 as a therapeutic target.
Clin Transl Med, 15, 2025
6JJB
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BU of 6jjb by Molmil
BRD4 in complex with ZZM1
分子名称: 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
7X08
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BU of 7x08 by Molmil
S protein of SARS-CoV-2 in complex with 2G1
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, LINOLEIC ACID, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-21
公開日2022-03-09
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
6JJ3
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BRD4 in complex with 138A
分子名称: 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
8YX3
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BU of 8yx3 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P28
分子名称: Papain-like protease nsp3, ~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide
著者Lu, Y, Shang, J.
登録日2024-04-02
公開日2024-12-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX4
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Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P31
分子名称: 2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]-5-[3-(4-methyl-4-oxidanyl-piperidin-1-yl)azetidin-1-yl]benzamide, CADMIUM ION, CHLORIDE ION, ...
著者Lu, Y, Shang, J.
登録日2024-04-02
公開日2024-12-04
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX2
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BU of 8yx2 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P4
分子名称: Papain-like protease nsp3, ZINC ION, ~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
著者Lu, Y, Shang, J.
登録日2024-04-02
公開日2024-12-04
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX5
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BU of 8yx5 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P35
分子名称: 5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide, GLYCEROL, Papain-like protease nsp3, ...
著者Lu, Y, Shang, J.
登録日2024-04-02
公開日2024-12-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
5T0K
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BU of 5t0k by Molmil
Structure of G9a SET-domain with H3K9M mutant peptide and SAM
分子名称: H3K9 mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者Xu, K, Tong, L.
登録日2016-08-16
公開日2016-10-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
5T0M
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BU of 5t0m by Molmil
A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading
分子名称: Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ...
著者Xu, K, Tong, L.
登録日2016-08-16
公開日2016-10-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
5UD8
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BU of 5ud8 by Molmil
Crystal Structure of Mutant Ig-like Domain
分子名称: Triggering receptor expressed on myeloid cells 2
著者Sudom, A, Min, X, Wang, Z.
登録日2016-12-23
公開日2018-04-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
5UD7
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BU of 5ud7 by Molmil
Crystal Structure of Wild-Type Ig-like Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, SULFATE ION, ...
著者Sudom, A, Min, X, Wang, Z.
登録日2016-12-23
公開日2018-04-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.20002246 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
6CZS
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BU of 6czs by Molmil
Crystal structure of human pro-cathepsin H C26S mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Pro-cathepsin H, ...
著者Huang, X, Hao, Y.
登録日2018-04-09
公開日2018-08-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structures of human procathepsin H.
PLoS ONE, 13, 2018
6CZK
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BU of 6czk by Molmil
Crystal structure of wild-type human pro-cathepsin H
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Pro-cathepsin H, ...
著者Huang, X, Hao, Y.
登録日2018-04-09
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal structures of human procathepsin H.
PLoS ONE, 13, 2018
2NSQ
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BU of 2nsq by Molmil
Crystal structure of the C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase NEDD4-like protein, GLYCEROL
著者Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-11-06
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
To be Published
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2024-10-23
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
6K1M
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BU of 6k1m by Molmil
Engineered form of a putative cystathionine gamma-lyase
分子名称: Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID
著者Chen, S, Wang, Y.
登録日2019-05-10
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural characterization of cystathionine gamma-lyase smCSE enables aqueous metal quantum dot biosynthesis.
Int.J.Biol.Macromol., 174, 2021
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2024-10-16
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
6K1L
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BU of 6k1l by Molmil
E53A mutant of a putative cystathionine gamma-lyase
分子名称: Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID
著者Chen, S, Wang, Y.
登録日2019-05-10
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural characterization of cystathionine gamma-lyase smCSE enables aqueous metal quantum dot biosynthesis.
Int.J.Biol.Macromol., 174, 2021
6K1O
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BU of 6k1o by Molmil
Apo form of a putative cystathionine gamma-lyase
分子名称: Cystathionine gamma-lyase
著者Chen, S, Wang, Y.
登録日2019-05-10
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.033 Å)
主引用文献Structural characterization of cystathionine gamma-lyase smCSE enables aqueous metal quantum dot biosynthesis.
Int.J.Biol.Macromol., 174, 2021
8J4U
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BU of 8j4u by Molmil
Structure of HerA-Sir2 complex from Escherichia coli Nezha system
分子名称: MAGNESIUM ION, Nucleoside triphosphate hydrolase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Chen, Q, Yu, Y.
登録日2023-04-20
公開日2024-01-03
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Multiple enzymatic activities of a Sir2-HerA system cooperate for anti-phage defense.
Mol.Cell, 83, 2023
8KAG
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BU of 8kag by Molmil
Crystal structure of SpyCas9 in complex with sgRNA and target RNA
分子名称: CRISPR-associated endonuclease Cas9/Csn1, RNA (5'-R(*CP*CP*AP*CP*UP*UP*CP*AP*AP*UP*UP*AP*GP*AP*AP*CP*AP*CP*GP*GP*AP*CP*C)-3'), RNA (98-MER)
著者Chen, Y, Chen, J, Liu, L.
登録日2023-08-03
公開日2024-06-05
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (3.88 Å)
主引用文献Trans-nuclease activity of Cas9 activated by DNA or RNA target binding.
Nat.Biotechnol., 43, 2025
8KAK
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Crystal structure of SpyCas9 in complex with sgRNA and 18nt target DNA
分子名称: CRISPR-associated endonuclease Cas9/Csn1, DNA (26-MER), DNA (5'-D(*TP*TP*TP*AP*GP*GP*TP*AP*TP*TP*G)-3'), ...
著者Chen, Y, Chen, J, Liu, L.
登録日2023-08-03
公開日2024-06-05
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Trans-nuclease activity of Cas9 activated by DNA or RNA target binding.
Nat.Biotechnol., 43, 2025

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件を2025-07-09に公開中

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