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9IJB
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Crystal structure and function analysis of a highly potential drug target 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis
分子名称: 6-phosphogluconate dehydrogenase, NAD(+)-dependent, decarboxylating
著者Wang, Y.Z, Ren, X.Q, Li, T, Zhang, R.D.
登録日2024-06-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.740405 Å)
主引用文献Crystal structure and function analysis of 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 731, 2024
9FCQ
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BU of 9fcq by Molmil
CysG(N-16)-H122A mutant in complex with SAH from Kitasatospora cystarginea
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M.
登録日2024-05-15
公開日2024-08-21
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
9BFB
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BU of 9bfb by Molmil
Crystal structure of BRAF kinase domain with PF-07284890
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{2-chloro-3-[(3,5-dimethyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorophenyl}-3-fluoropropane-1-sulfonamide, ...
著者Mou, T.-C.
登録日2024-04-17
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of the Clinical Candidate PF-07284890 ( ARRY-461 ), a Highly Potent and Brain Penetrant BRAF Inhibitor for the Treatment of Cancer.
J.Med.Chem., 67, 2024
9BB4
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BU of 9bb4 by Molmil
Backbone Modification in the GA Module of Protein PAB: beta3-residues at positions 23 and 26
分子名称: Peptostreptococcal albumin-binding protein
著者Lin, Y, Horne, W.S.
登録日2024-04-05
公開日2024-06-05
最終更新日2024-08-21
実験手法SOLUTION NMR
主引用文献Backbone Modification in a Protein Hydrophobic Core.
Chemistry, 30, 2024
9F8X
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BU of 9f8x by Molmil
Low-dose structure of Marinobacter nauticus nitrous oxide reductase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Einsle, O, Pomowski, A.
登録日2024-05-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Revisiting the metal sites of nitrous oxide reductase in a low-dose structure from Marinobacter nauticus.
J.Biol.Inorg.Chem., 29, 2024
9IJA
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BU of 9ija by Molmil
A local Cryo-EM structure of Bitter taste receptor TAS2R14 with Gi complex
分子名称: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Taste receptor type 2 member 14
著者Yuan, Q, Duan, J, Tao, L, Xu, E.H.
登録日2024-06-21
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist.
Cell Res., 2024
9CYS
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BU of 9cys by Molmil
Toxin/immunity complex for a T6SS lipase effector from E. cloacae
分子名称: Ankyrin repeat domain-containing protein, CITRIC ACID, GLYCEROL, ...
著者Cuthbert, B.J, Jensen, S.J, Goulding, C.W, Hayes, C.S.
登録日2024-08-02
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Advanced glycation end-product (AGE) crosslinking activates a type 6 secretion system phospholipase effector protein
Nature Communications, 2024
9CV9
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BU of 9cv9 by Molmil
Bufavirus 1 at pH 4.0
分子名称: VP1
著者Gulkis, M.C, McKenna, R, Bennett, A.D.
登録日2024-07-28
公開日2024-08-28
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural Characterization of Human Bufavirus 1: Receptor Binding and Endosomal pH-Induced Changes.
Viruses, 16, 2024
9F9K
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BU of 9f9k by Molmil
Crystal structure of MUS81-EME1 bound by compound 15.
分子名称: 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-07
公開日2024-07-03
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.728 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
9EU7
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BU of 9eu7 by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 15b
分子名称: (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
9IJC
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BU of 9ijc by Molmil
Crystal structure of the beta,kappa-carrageenase Cgbk16A from Wenyingzhuangia fucanilytica
分子名称: GH16 domain-containing protein
著者Chang, Y, Chen, F.
登録日2024-06-22
公開日2024-07-17
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural Insights into the Substrate Recognition and Catalytic Mechanism of a GH16 beta kappa-Carrageenase from Wenyingzhuangia fucanilytica.
J.Agric.Food Chem., 72, 2024
9FCY
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BU of 9fcy by Molmil
CysG(N-16)-R21K mutant in complex with SAH from Kitasatospora cystarginea
分子名称: ADENINE, CALCIUM ION, SAM-dependent methyltransferase
著者Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M.
登録日2024-05-16
公開日2024-08-21
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
9B12
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BU of 9b12 by Molmil
Structure of Optineurin bound to HOIP NZF1 domain and M1-linked diubiquitin, crystal form 1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ...
著者Michel, M.A, Scutts, S, Komander, D.
登録日2024-03-12
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Linkage and substrate specificity conferred by NZF ubiquitin binding domains
To Be Published
9IJ6
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BU of 9ij6 by Molmil
Crystal structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with Adenosine phosphate at 2.40 A resolution.
分子名称: ADENOSINE MONOPHOSPHATE, Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, ...
著者Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P.
登録日2024-06-21
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with Adenosine phosphate at 2.40 A resolution.
To Be Published
9BRS
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BU of 9brs by Molmil
Intact V-ATPase State 2 in synaptophysin knock-out isolated synaptic vesicles
分子名称: Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ...
著者Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
登録日2024-05-11
公開日2024-06-19
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
9ENJ
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BU of 9enj by Molmil
L-amino acid oxidase 4 (HcLAAO4) from the fungus Hebeloma cylindrosporum in complex with L-glutamate
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLUTAMIC ACID, L-amino acid oxidase 4, ...
著者Gilzer, D, Koopmeiners, S, Fischer von Mollard, G, Niemann, H.H.
登録日2024-03-13
公開日2024-08-14
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and enzyme engineering of the broad substrate spectrum l-amino acid oxidase 4 from the fungus Hebeloma cylindrosporum.
Febs Lett., 2024
9FDJ
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BU of 9fdj by Molmil
Crystal structure of the NuoEF variant R66G (NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions (short soak)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
登録日2024-05-17
公開日2024-07-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
7AEW
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BU of 7aew by Molmil
14-3-3 sigma bound to bis-phosphorylated aminopeptidase N (APN, CD13) via canonical and non-canonical binding motifs
分子名称: 14-3-3 protein sigma, Aminopeptidase N, CHLORIDE ION, ...
著者Kiehstaller, S, Hennig, S.
登録日2020-09-18
公開日2020-11-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献MMP activation-associated aminopeptidase N reveals a bivalent 14-3-3 binding motif.
J.Biol.Chem., 295, 2020
9EP9
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BU of 9ep9 by Molmil
NMR solution structure of lipid transfer protei Sola l7 from tomato seeds
分子名称: Non-specific lipid-transfer protein
著者Parron-Ballesteros, J, Mantin-Pedraz, L, G.Gordo, R, Mayorga, C, Villaba, M, Batanero, E, Pantoja-Uceda, D, Turnay, J.
登録日2024-03-18
公開日2024-09-04
実験手法SOLUTION NMR
主引用文献Long-chain fatty acids block allergic reaction against lipid transfer protein Sola l 7 from tomato seeds.
Protein Sci., 33, 2024
9EQF
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BU of 9eqf by Molmil
Crystal structure of the L-arginine hydroxylase VioC MeHis316, bound to Fe(II), L-arginine, and succinate
分子名称: 1,2-ETHANEDIOL, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
著者Hardy, F.J.
登録日2024-03-21
公開日2024-07-31
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code.
Acs Catalysis, 14, 2024
9B5D
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BU of 9b5d by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - Ub(T) class 1 map and model from consensus
分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, Large ribosomal subunit protein eL40B, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 633, 2024
7B31
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MST3 in complex with compound MRIA9
分子名称: 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one, Serine/threonine-protein kinase 24
著者Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-11-28
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
9CIL
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BU of 9cil by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Zhang, Y, Schlessman, J.L, Siegler, M.A, Garcia-Moreno E, B.
登録日2024-07-03
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature
To Be Published
9FTW
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BU of 9ftw by Molmil
Crystal structure of calcium-activated EndoU
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Fribourg, S, Campagne, S.
登録日2024-06-25
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular Basis for the Calcium-Dependent Activation of the Ribonuclease EndoU.
Res Sq, 2024
9BRX
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BU of 9brx by Molmil
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 10
分子名称: (4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-amine, Papain-like protease nsp3, SULFATE ION, ...
著者Amporndanai, K, Zhao, B, Fesik, S.W.
登録日2024-05-11
公開日2024-07-31
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PL pro ).
Acs Med.Chem.Lett., 15, 2024

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件を2024-09-25に公開中

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