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8PS8
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BU of 8ps8 by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the enoyl reductase domain (FASam sample)
分子名称: Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-26
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
6FIL
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BU of 6fil by Molmil
DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.730A, P212121, Rfree=24.5%
分子名称: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
8PS9
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BU of 8ps9 by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASam sample)
分子名称: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PS1
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BU of 8ps1 by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASamn sample)
分子名称: COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSG
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BU of 8psg by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the acetyl transferase domain (FASx sample)
分子名称: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSM
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BU of 8psm by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the malonyl/palmitoyl transferase domain (FASx sample)
分子名称: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSF
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BU of 8psf by Molmil
Asymmetric unit of the yeast fatty acid synthase in non-rotated state with ACP at the acetyl transferase domain (FASx sample)
分子名称: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
著者Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
登録日2023-07-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
6FEX
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BU of 6fex by Molmil
DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4%
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, CHLORIDE ION, ...
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-03
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.291 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIN
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BU of 6fin by Molmil
DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 1.670A, P1211, Rfree=22.8%
分子名称: 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIQ
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BU of 6fiq by Molmil
DDR1, 1-(1H-indazole-5-carbonyl)-5'-methoxy-1'-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, 1.790A, P212121, Rfree=23.8%
分子名称: 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, CHLORIDE ION, Epithelial discoidin domain-containing receptor 1
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FEW
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BU of 6few by Molmil
DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1%
分子名称: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-03
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIO
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BU of 6fio by Molmil
DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.990A, P6522, Rfree=27.7%
分子名称: 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Epithelial discoidin domain-containing receptor 1
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6W5E
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BU of 6w5e by Molmil
Class D beta-lactamase BSU-2
分子名称: 1,2-ETHANEDIOL, BSU-2 beta-lactamase, MALONATE ION
著者Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
登録日2020-03-13
公開日2020-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
6KFP
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BU of 6kfp by Molmil
Crystal structure of MavC ternary complex
分子名称: MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N
著者Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y.
登録日2019-07-08
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
6CDI
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BU of 6cdi by Molmil
Cryo-EM structure at 3.6 A resolution of vaccine-elicited antibody vFP16.02 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
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, Glycoprotein 120, ...
著者Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D.
登録日2018-02-08
公開日2018-05-16
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
7STF
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BU of 7stf by Molmil
Structure of KRAS G12V/HLA-A*03:01 in complex with antibody fragment V2
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Wright, K.M, Gabelli, S.B, Miller, M.
登録日2021-11-12
公開日2023-05-31
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023
6GCJ
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BU of 6gcj by Molmil
Solution structure of the RodA hydrophobin from Aspergillus fumigatus
分子名称: Hydrophobin
著者Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I.
登録日2018-04-18
公開日2019-03-27
最終更新日2019-09-04
実験手法SOLUTION NMR
主引用文献Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
5EMB
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BU of 5emb by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal phosphorylated PTHR PDZ binding motif
分子名称: GLU-GLU-TRP-SEP-THR-VAL-MET, Sorting nexin-27
著者Collins, B.M, Clairfeuille, T.
登録日2015-11-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
4WV1
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BU of 4wv1 by Molmil
Crystal structure of the FGFR2 D2 domain in complex with Fab 2B.1.3
分子名称: Fab heavy chain, Fab light chain, Fibroblast growth factor receptor 2
著者Yin, Y, Carter, P.J.
登録日2014-11-04
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.362 Å)
主引用文献Redesigning a Monospecific Anti-FGFR3 Antibody to Add Selectivity for FGFR2 and Expand Antitumor Activity.
Mol.Cancer Ther., 14, 2015
5EMA
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BU of 5ema by Molmil
Crystal structure of the SNX27 PDZ domain bound to the phosphorylated C-terminal LRRC3B PDZ binding motif
分子名称: ASP-ASP-ILE-SEP-THR-VAL-VAL, GLYCEROL, Sorting nexin-27
著者Collins, B.M, Clairfeuille, T.
登録日2015-11-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
8OK7
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BU of 8ok7 by Molmil
Variant Surface Glycoprotein VSG558 NTD
分子名称: Variant surface glycoprotein 558, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zeelen, J.P, Stebbins, C.E, van Straaten, M, Zhong, J.
登録日2023-03-27
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
7Z61
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BU of 7z61 by Molmil
Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 18)
分子名称: 9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Goldberg, F.W, Ting, A.K.T, Schimpl, M.
登録日2022-03-10
公開日2022-07-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.738 Å)
主引用文献Optimization of hERG and Pharmacokinetic Properties for Basic Dihydro-8 H -purin-8-one Inhibitors of DNA-PK.
Acs Med.Chem.Lett., 13, 2022
7VPA
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BU of 7vpa by Molmil
Crystal structure of Ple629 from marine microbial consortium
分子名称: hydrolase Ple629
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-15
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
7VMD
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BU of 7vmd by Molmil
Crystal structure of a hydrolases Ple628 from marine microbial consortium
分子名称: CALCIUM ION, hydrolase Ple628
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-08
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
5ELQ
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BU of 5elq by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal DGKzeta PDZ binding motif
分子名称: GLU-ASP-GLN-GLU-THR-ALA-VAL, Sorting nexin-27, TETRAETHYLENE GLYCOL
著者Collins, B.M, Clairfeuille, T.
登録日2015-11-05
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016

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