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8BEH
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BU of 8beh by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CI membrane tip)
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
著者Klusch, N, Kuehlbrandt, W.
登録日2022-10-21
公開日2023-01-11
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
8BEE
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Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CI peripheral core)
分子名称: Acyl carrier protein 2, mitochondrial, IRON/SULFUR CLUSTER, ...
著者Klusch, N, Kuehlbrandt, W.
登録日2022-10-21
公開日2023-01-11
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (2.04 Å)
主引用文献Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
8BEA
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BU of 8bea by Molmil
Crystal structure of SOS1-HRas-peptidomimetic10
分子名称: GTPase HRas, SOS1-HRas-peptidomimetic10, Son of sevenless homolog 1
著者Fischer, B, Wohlkonig, A, Steyaert, J.
登録日2022-10-21
公開日2023-04-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BE9
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BU of 8be9 by Molmil
Crystal structure of SOS1-HRas-peptidomimetic5
分子名称: CHLORIDE ION, FORMIC ACID, GTPase HRas, ...
著者Fischer, B, Wohlkonig, A, Steyaert, J.
登録日2022-10-21
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BE1
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BU of 8be1 by Molmil
SARS-CoV-2 RBD in complex with a Fab fragment of a neutralising antibody mRBD2
分子名称: Antibody heavy chain, Antibody light chain, SULFATE ION, ...
著者Lulla, A, Brear, P, Fischer, K, Hollfelder, F, Hyvonen, M.
登録日2022-10-21
公開日2023-01-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Microfluidics-enabled fluorescence-activated cell sorting of single pathogen-specific antibody secreting cells for the rapid discovery of monoclonal antibodies
Biorxiv, 2023
8BDZ
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BU of 8bdz by Molmil
Hepatitis B virus core antigen (HBc) with the insertion of four external domains of the influenza A M2 protein (HBc/4M2e) with T=4 topology
分子名称: Core protein,Matrix protein 2,External core antigen
著者Egorov, V.V, Shvetsov, A.V, Pichkur, E.B, Shaldzhyan, A.A, Zabrodskaya, Y.A, Vinogradova, D.S, Nekrasov, P.A, Gorshkov, A.N, Garmay, Y.P, Kovaleva, A.A, Stepanova, L.A, Tsybalova, L.M, Shtam, T.A, Myasnikov, A.G, Konevega, A.L.
登録日2022-10-20
公開日2022-12-28
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Inside and outside of virus-like particles HBc and HBc/4M2e: A comprehensive study of the structure.
Biophys.Chem., 293, 2022
8BDY
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BU of 8bdy by Molmil
Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 9
分子名称: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
著者Tassone, G, Pozzi, C, Palomba, T.
登録日2022-10-20
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Int J Mol Sci, 23, 2022
8BDX
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BU of 8bdx by Molmil
Ternary complex between VCB, BRD4-BD2 and PROTAC 48
分子名称: (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ...
著者Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
登録日2022-10-20
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
8BDW
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BU of 8bdw by Molmil
Crystal structure of CnaB2 domain from Lactobacillus plantarum
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell surface adherence protein,collagen-binding domain, LPXTG-motif cell wall anchor, ...
著者Taberman, H, Hakanpaa, J, Linder, M.B, Aranko, A.S.
登録日2022-10-20
公開日2023-02-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Biomolecular Click Reactions Using a Minimal pH-Activated Catcher/Tag Pair for Producing Native-Sized Spider-Silk Proteins.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BDP
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BU of 8bdp by Molmil
A GH20 family sulfoglycosidase Bt4394 in complex with NAG-thiazoline and sulfite
分子名称: Beta-N-acetylhexosaminidase, CHLORIDE ION
著者Zhang, Z, He, Y, Jin, Y.
登録日2022-10-19
公開日2023-01-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022
8BDM
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BU of 8bdm by Molmil
VCB in complex with compound 26
分子名称: (2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
登録日2022-10-19
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.021 Å)
主引用文献Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
8BDL
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BU of 8bdl by Molmil
VCB in complex with compound 27
分子名称: (2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
登録日2022-10-19
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
8BDI
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BU of 8bdi by Molmil
VCB in complex with compound 32
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
登録日2022-10-19
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
8BDG
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BU of 8bdg by Molmil
Tubulin-taxane-2b complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
登録日2022-10-19
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8BDF
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BU of 8bdf by Molmil
Tubulin-taxane-2a complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
登録日2022-10-19
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8BDE
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BU of 8bde by Molmil
Tubulin-baccatin III complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
登録日2022-10-19
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8BD9
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BU of 8bd9 by Molmil
Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 10
分子名称: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
著者Tassone, G, Pozzi, C, Palomba, T.
登録日2022-10-18
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Int J Mol Sci, 23, 2022
8BD8
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BU of 8bd8 by Molmil
Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 8
分子名称: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
著者Tassone, G, Pozzi, C, Palomba, T.
登録日2022-10-18
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Int J Mol Sci, 23, 2022
8BCZ
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BU of 8bcz by Molmil
SARS-CoV-2 Delta-RBD complexed with Fabs BA.2-36, BA.2-23, EY6A and COVOX-45
分子名称: BA.2-23 heavy chain, BA.2-23 light chain, BA.2-36 heavy chain, ...
著者Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
登録日2022-10-17
公開日2023-03-22
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses.
Cell Rep, 42, 2023
8BCY
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BU of 8bcy by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13
分子名称: 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M.
登録日2022-10-17
公開日2023-05-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors.
Eur.J.Med.Chem., 254, 2023
8BCT
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BU of 8bct by Molmil
X-ray crystal structure of a de novo selected helix-loop-helix heterodimer in a syn arrangement, 26alpha/26beta
分子名称: 26alpha, 26beta, ACETATE ION, ...
著者Naudin, E.A, Mylemans, B, Smith, A.J, Savery, N.J, Woolfson, D.N.
登録日2022-10-17
公開日2023-06-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Selection of Heterodimerizing Helical Hairpins for Synthetic Biology.
Acs Synth Biol, 12, 2023
8BCQ
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BU of 8bcq by Molmil
N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (native crystal structure)
分子名称: GLYCEROL, Glutamate--tRNA ligase, SULFATE ION
著者Benas, P, Jaramillo Ponce, J.R, Frugier, M, Sauter, C.
登録日2022-10-17
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes.
Protein Sci., 32, 2023
8BCL
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BU of 8bcl by Molmil
Recombinant Tipula oleracea Nudivirus polyhedrin Expanded unit cell
分子名称: MOBP
著者Keown, J.R, Grimes, J.M.
登録日2022-10-16
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Atomic structure of a nudivirus occlusion body protein determined from a 70-year-old crystal sample.
Nat Commun, 14, 2023
8BCI
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BU of 8bci by Molmil
Crystal structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Probable short-chain dehydrogenase
著者Popp, M.A, Vit, A, Blankenfeldt, W.
登録日2022-10-16
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1
To Be Published
8BCA
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BU of 8bca by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 26
分子名称: 1,2-ETHANEDIOL, 3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide, GLYCEROL, ...
著者Vester, K, Loll, B, Wahl, M.C.
登録日2022-10-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023

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件を2024-07-10に公開中

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