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PDB: 88675 件

5LTX
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LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-MET
分子名称: ACETATE ION, Chemotaxis protein, FORMIC ACID, ...
著者Gavira, J.A, Rico-Gimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
登録日2016-09-07
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
6GOG
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BU of 6gog by Molmil
KRAS-169 Q61H GPPNHP
分子名称: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
8CZA
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BU of 8cza by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-IV-075
分子名称: 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain testis-specific protein, SODIUM ION
著者Chan, A, Schonbrunn, E.
登録日2022-05-24
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
6GIW
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BU of 6giw by Molmil
Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum (Mutation L91P) with Chlorophyll-a
分子名称: CHLOROPHYLL A, Water-soluble chlorophyll protein
著者Palm, D.M, Agostini, A, Averesch, V, Girr, P, Werwie, M, Takahashi, S, Satoh, H, Jaenicke, E, Paulsen, H.
登録日2018-05-15
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chlorophyll a/b binding-specificity in water-soluble chlorophyll protein.
Nat Plants, 4, 2018
7ZIE
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BU of 7zie by Molmil
Gcf1p, multimerizes and bridges the mitochondrial DNA from Candida albicans by a specific mechanism.
分子名称: 20-mer DNA, GLYCEROL, Gcf1p
著者Tarres-Sole, A, Sola, M.
登録日2022-04-07
公開日2023-06-14
最終更新日2024-06-19
実験手法SOLUTION SCATTERING (2.9 Å), X-RAY DIFFRACTION
主引用文献Gcf1p tetramerizes upon DNA binding, revealing a novel compaction method for mitochondrial DNA in Candida albicans.
Nucleic Acids Res., 2023
6T0J
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BU of 6t0j by Molmil
Crystal structure of CYP124 in complex with SQ109
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ...
著者Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450.
Int J Mol Sci, 21, 2020
6SRO
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BU of 6sro by Molmil
X-ray pump X-ray probe on thaumatin nanocrystals: 76 fs time delay
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-05
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
8OIP
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BU of 8oip by Molmil
28S mammalian mitochondrial small ribosomal subunit with mtRF1 and P-site tRNA
分子名称: 12S rRNA, 28S ribosomal protein S15, mitochondrial, ...
著者Saurer, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Ban, N.
登録日2023-03-23
公開日2023-05-24
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular basis of translation termination at noncanonical stop codons in human mitochondria.
Science, 380, 2023
6T13
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BU of 6t13 by Molmil
CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE
分子名称: 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M.
登録日2019-10-03
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization.
Angew.Chem.Int.Ed.Engl., 60, 2021
5IQV
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BU of 5iqv by Molmil
WelO5 bound to Fe, Cl, 2-oxoglutarate, 12-epifischerindole U, and nitric oxide
分子名称: (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Mitchell, A.J, Boal, A.K.
登録日2016-03-11
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.
Nat.Chem.Biol., 12, 2016
4YGJ
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BU of 4ygj by Molmil
NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
分子名称: BROMIDE ION, Carbonic anhydrase 2, ZINC ION
著者Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
登録日2015-02-26
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
6SS9
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BU of 6ss9 by Molmil
Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Rizkallah, P.J, Bovay, A.
登録日2019-09-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
6PVM
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BU of 6pvm by Molmil
Cryo-EM structure of mouse TRPV3 in putative sensitized state at 42 degrees Celsius
分子名称: SODIUM ION, Transient receptor potential cation channel subfamily V member 3
著者Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
登録日2019-07-21
公開日2019-10-23
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
6GJK
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BU of 6gjk by Molmil
A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase
分子名称: 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ...
著者Kraemer, A, Meyer-Almes, F.J.
登録日2018-05-16
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine.
Biochim Biophys Acta Gen Subj, 1863, 2019
5LZV
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BU of 5lzv by Molmil
Structure of the mammalian ribosomal termination complex with accommodated eRF1(AAQ) and ABCE1.
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S.
登録日2016-10-02
公開日2016-11-30
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
6VP6
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BU of 6vp6 by Molmil
Cryo-EM structure of the C-terminal half of the Parkinson's Disease-linked protein Leucine Rich Repeat Kinase 2 (LRRK2)
分子名称: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION
著者Leschziner, A, Deniston, C, Lahiri, I.
登録日2020-02-01
公開日2020-08-26
最終更新日2020-12-23
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structure of LRRK2 in Parkinson's disease and model for microtubule interaction.
Nature, 588, 2020
7NT2
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BU of 7nt2 by Molmil
Crystal structure of SARS CoV2 main protease in complex with FSP006
分子名称: 3C-like proteinase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R.
登録日2021-03-08
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.145 Å)
主引用文献Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
7THM
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BU of 7thm by Molmil
SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9
分子名称: MANGANESE (II) ION, Non-structural protein 7, Non-structural protein 8, ...
著者Osinski, A, Tagliabracci, V.S, Chen, Z, Li, Y.
登録日2022-01-11
公開日2022-03-16
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献The mechanism of RNA capping by SARS-CoV-2.
Nature, 609, 2022
4YKN
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BU of 4ykn by Molmil
Pi3K alpha lipid kinase with Active Site Inhibitor
分子名称: 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein
著者Elkins, P.A.
登録日2015-03-04
公開日2015-06-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT).
Acs Med.Chem.Lett., 6, 2015
6XWP
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BU of 6xwp by Molmil
Structure of glutamate transporter homologue GltTk in unsaturated conditions - outward-outward-inward configuration
分子名称: ASPARTIC ACID, Proton/glutamate symporter, SDF family
著者Arkhipova, V, Slotboom, D.J, Guskov, A.
登録日2020-01-24
公開日2020-03-04
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structural ensemble of a glutamate transporter homologue in lipid nanodisc environment.
Nat Commun, 11, 2020
6GOF
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BU of 6gof by Molmil
KRAS full length G12D GPPNHP
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
8A2C
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BU of 8a2c by Molmil
The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Costanzi, E, Applegate, V, Port, A, Smits, S.H.J.
登録日2022-06-03
公開日2023-06-14
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET).
Febs J., 291, 2024
7NTV
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BU of 7ntv by Molmil
Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map)
分子名称: 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R.
登録日2021-03-10
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.065 Å)
主引用文献Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
6GKB
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BU of 6gkb by Molmil
Iron soak structure of Y40F SynFtn
分子名称: FE (III) ION, Ferritin
著者Hemmings, A.M, Bradley, J.M.
登録日2018-05-18
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
8OIN
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BU of 8oin by Molmil
55S mammalian mitochondrial ribosome with mtRF1 and P-site tRNA
分子名称: 12S rRNA, 16S rRNA, 28S ribosomal protein S15, ...
著者Saurer, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Ban, N.
登録日2023-03-23
公開日2023-06-14
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular basis of translation termination at noncanonical stop codons in human mitochondria.
Science, 380, 2023

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件を2024-07-31に公開中

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