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8JZE
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BU of 8jze by Molmil
PSI-AcpPCI supercomplex from Symbiodinium
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, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Li, Z.H, Li, X.Y, Wang, W.D.
登録日2023-07-05
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
5UR1
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BU of 5ur1 by Molmil
FGFR1 kinase domain complex with SN37333 in reversible binding mode
分子名称: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1
著者Yosaatmadja, Y, Paik, W.-K, Smaill, J.B, Squire, C.J.
登録日2017-02-09
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献2-Oxo-3, 4-dihydropyrimido[4, 5-d]pyrimidinyl derivatives as new irreversible pan fibroblast growth factor receptor (FGFR) inhibitors.
Eur J Med Chem, 135, 2017
6KUZ
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BU of 6kuz by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01
分子名称: 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Li, X.K, Guo, Y, Li, J.
登録日2019-09-03
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献First-generation species-selective chemical probes for fluorescence imaging of human senescence-associated beta-galactosidase.
Chem Sci, 11, 2020
5YYF
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BU of 5yyf by Molmil
Crystal structure of AF9 YEATS domain in complex with a peptide inhibitor "PHQ-H3(Q5-K9)" modified at K9 with 2-furancarboyl group
分子名称: 2-FUROIC ACID, Peptide inhibitor PHQ-H3(Q5-K9), Protein AF-9, ...
著者Li, Y, Li, H.
登録日2017-12-09
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structure-guided development of YEATS domain inhibitors by targeting pi-pi-pi stacking.
Nat. Chem. Biol., 14, 2018
7CYA
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BU of 7cya by Molmil
Saimiri boliviensis boliviensis galectin-13 with lactose
分子名称: Galectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.
登録日2020-09-03
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Actin binding to galectin-13/placental protein-13 occurs independently of the galectin canonical ligand-binding site.
Glycobiology, 31, 2021
7CYB
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BU of 7cyb by Molmil
Saimiri boliviensis boliviensis galectin-13 with glycerol
分子名称: GLYCEROL, Galectin
著者Su, J.
登録日2020-09-03
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Actin binding to galectin-13/placental protein-13 occurs independently of the galectin canonical ligand-binding site.
Glycobiology, 31, 2021
1BBA
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BU of 1bba by Molmil
SEQUENCE-SPECIFIC 1H NMR ASSIGNMENTS AND SOLUTION STRUCTURE OF BOVINE PANCREATIC POLYPEPTIDE
分子名称: BOVINE PANCREATIC POLYPEPTIDE
著者Li, X, Sutcliffe, M.J, Schwartz, T.W, Dobson, C.M.
登録日1992-03-10
公開日1993-10-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Sequence-specific 1H NMR assignments and solution structure of bovine pancreatic polypeptide.
Biochemistry, 31, 1992
6JZA
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BU of 6jza by Molmil
Structure of Fstl1
分子名称: Follistatin-related protein 1
著者Liu, X, Ning, W.
登録日2019-04-30
公開日2019-08-21
最終更新日2019-09-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional study of FK domain of Fstl1.
Protein Sci., 28, 2019
8K82
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BU of 8k82 by Molmil
Cryo-EM structure of the yeast 80S ribosome with tigecycline, Not5 and P-site tRNA
分子名称: 18S rRNA, 23S rRNA, 40S ribosomal protein S1-A, ...
著者Buschauer, R, Beckmann, R, Cheng, J.
登録日2023-07-28
公開日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
6K32
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BU of 6k32 by Molmil
RdRp complex
分子名称: 2'-O-methyladenosine 5'-(dihydrogen phosphate), 7-METHYLGUANOSINE, DIPHOSPHATE, ...
著者Li, X.W.
登録日2019-05-16
公開日2019-11-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of RdRps Within a Transcribing dsRNA Virus Provides Insights Into the Mechanisms of RNA Synthesis.
J.Mol.Biol., 432, 2020
8K2D
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BU of 8k2d by Molmil
Cryo-EM structure of the yeast 80S ribosome with tigecycline, eEF2, Stm1 and eIF5A
分子名称: 18S rRNA, 23S rRNA, 40S ribosomal protein S1-A, ...
著者Buschauer, R, Beckmann, R, Cheng, J.
登録日2023-07-12
公開日2024-07-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
5VK0
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BU of 5vk0 by Molmil
Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2017-04-20
公開日2018-04-25
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
5VK1
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BU of 5vk1 by Molmil
Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
分子名称: Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI, Protein Mdm4
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2017-04-20
公開日2018-04-25
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
4QRE
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BU of 4qre by Molmil
Structure of Methionyl-tRNA Synthetase in complex with 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone
分子名称: 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Hilgers, M.T.
登録日2014-06-30
公開日2015-07-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase
to be published
3SRR
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BU of 3srr by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SQY
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BU of 3sqy by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(2-methoxyphenyl)quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-06
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SR5
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BU of 3sr5 by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-06
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRW
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BU of 3srw by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRQ
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BU of 3srq by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRS
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BU of 3srs by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRU
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BU of 3sru by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
8GUS
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BU of 8gus by Molmil
Cryo-EM structure of HU-CB2-G protein complex
分子名称: Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H.
登録日2022-09-13
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
8GUQ
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BU of 8guq by Molmil
Cryo-EM structure of CB2-G protein complex
分子名称: Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H.
登録日2022-09-13
公開日2023-05-10
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
8GUT
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BU of 8gut by Molmil
Cryo-EM structure of LEI-CB2-Gi complex
分子名称: 1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, Z.J, Hua, T, Li, X.T, Chang, H, Wu, L.J.
登録日2022-09-13
公開日2023-05-10
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
8GUR
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BU of 8gur by Molmil
Cryo-EM structure of CP-CB2-G protein complex
分子名称: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H.
登録日2022-09-13
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023

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