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4URU
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BU of 4uru by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4V5I
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BU of 4v5i by Molmil
Structure of the Phage P2 Baseplate in its Activated Conformation with Ca
分子名称: CALCIUM ION, ORF15, ORF16, ...
著者Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C.
登録日2010-02-05
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (5.464 Å)
主引用文献Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
6WEC
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BU of 6wec by Molmil
Multi-Hit SFX using MHz XFEL sources
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Holmes, S, Darmanin, C, Abbey, B.
登録日2020-04-01
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6WEB
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BU of 6web by Molmil
Multi-Hit SFX using MHz XFEL sources
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Holmes, S, Darmanin, C, Abbey, B.
登録日2020-04-01
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
4UXE
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BU of 4uxe by Molmil
Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, P21 selenomethionine crystal
分子名称: GLYCEROL, LARGE TAIL FIBER PROTEIN P34
著者Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J.
登録日2014-08-22
公開日2015-08-19
最終更新日2017-07-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34.
Viruses, 9, 2017
1W8F
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BU of 1w8f by Molmil
PSEUDOMONAS AERUGINOSA LECTIN II (PA-IIL)COMPLEXED WITH LACTO-N-NEO- FUCOPENTAOSE V(LNPFV)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Perret, S, Sabin, C, Dumon, C, Budova, M, Gautier, C, Galanina, O, Ilia, S, Bovin, N, Nicaise, M, Desmadril, M, Gilboa-Garber, N, Wimmerova, M, Mitchell, E.P, Imberty, A.
登録日2004-09-21
公開日2005-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural Basis for the Interaction between Human Milk Oligosaccharides and the Bacterial Lectin Pa-Iil of Pseudomonas Aeruginosa.
Biochem.J., 389, 2005
3CE7
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BU of 3ce7 by Molmil
Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510
分子名称: Specific mitochondrial acyl carrier protein
著者Wernimont, A.K, Dong, A, Yang, C, Khuu, C, Lam, A, Brand, V, Kozieradzki, I, Cossar, D, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
登録日2008-02-28
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510.
To be Published
8CBK
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BU of 8cbk by Molmil
Structure of human mitochondrial RNase P in complex with mitochondrial pre-tRNA-His(5,Ser)
分子名称: 3-hydroxyacyl-CoA dehydrogenase type-2, MAGNESIUM ION, Mitochondrial Precursor tRNA-His(5,Ser), ...
著者MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, LUISI, B, TISNE, C.
登録日2023-01-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structural basis for human mitochondrial tRNA maturation.
Nat Commun, 15, 2024
8CBL
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BU of 8cbl by Molmil
Structure of human mitochondrial RNase Z in complex with mitochondrial pre-tRNA-His(0,Ser)
分子名称: 3-hydroxyacyl-CoA dehydrogenase type-2, Mitochondrial Precursor tRNA-His(0,Ser), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, YU, W, LUISI, B, TISNE, C.
登録日2023-01-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structural basis for human mitochondrial tRNA maturation.
Nat Commun, 15, 2024
8CBM
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BU of 8cbm by Molmil
Structure of human mitochondrial CCA-adding enzyme in complex with mitochondrial pre-tRNA-Ile
分子名称: 3-hydroxyacyl-CoA dehydrogenase type-2, CCA tRNA nucleotidyltransferase 1, mitochondrial, ...
著者MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, LUISI, B, TISNE, C.
登録日2023-01-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural basis for human mitochondrial tRNA maturation.
Nat Commun, 15, 2024
8CBO
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BU of 8cbo by Molmil
Structure of human mitochondrial MRPP1-MRPP2 in complex with mitochondrial pre-tRNA-Ile
分子名称: 3-hydroxyacyl-CoA dehydrogenase type-2, Mitochondrial Precursor tRNA-Ile(5,4), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, LUISI, B, TISNE, C.
登録日2023-01-25
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for human mitochondrial tRNA maturation.
Nat Commun, 15, 2024
8JN8
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BU of 8jn8 by Molmil
Crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668
分子名称: (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide, Proto-oncogene tyrosine-protein kinase Src
著者Zhang, H.M, Luo, C.
登録日2023-06-06
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献The crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668
To Be Published
8JN9
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BU of 8jn9 by Molmil
Crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8
分子名称: N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
著者Zhang, H.M, Luo, C.
登録日2023-06-06
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.724 Å)
主引用文献The crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8
To Be Published
8OJP
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BU of 8ojp by Molmil
Human galectin 1 in complex with inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, GLYCEROL, Galectin-1
著者Hakansson, M, Diehl, C, Nilsson, U.J, Zetterberg, F.R, Peterson, K.
登録日2023-03-24
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of Selective and Orally Available Galectin-1 Inhibitors.
J.Med.Chem., 66, 2023
8P9B
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BU of 8p9b by Molmil
Crystal Structure of Mnk2-D228G in complex with Tinodasertib
分子名称: 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Turnbull, A.P, Sabin, V, Bell, C, Watson, M.
登録日2023-06-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structure of Mnk2-D228G in complex with Tinodasertib
To Be Published
8QOI
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BU of 8qoi by Molmil
Structure of the human 80S ribosome at 1.9 A resolution - the molecular role of chemical modifications and ions in RNA
分子名称: 18S rRNA (1740-MER), 28S rRNA (3773-MER), 40S ribosomal protein S10, ...
著者Holvec, S, Barchet, C, Frechin, L, Hazemann, I, von Loeffelholz, O, Klaholz, B.P.
登録日2023-09-29
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (1.9 Å)
主引用文献The structure of the human 80S ribosome at 1.9 A resolution reveals the molecular role of chemical modifications and ions in RNA
Nat.Struct.Mol.Biol., 2024
8RPH
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BU of 8rph by Molmil
JanthE from Janthinobacterium sp. HH01,ketobutyryl-ThDP
分子名称: (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Lucrezia, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
登録日2024-01-16
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献JhE from Janthinobacterium sp. HH01
To Be Published
8RPI
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BU of 8rpi by Molmil
JanthE from Janthinobacterium sp. HH01, lactyl-ThDP
分子名称: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Lucrezia, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
登録日2024-01-16
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献JhE from Janthinobacterium sp. HH01
To Be Published
8RPJ
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BU of 8rpj by Molmil
JanthE from Janthinobacterium sp. HH01
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Lucrezia, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
登録日2024-01-16
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献JhE from Janthinobacterium sp. HH01
To Be Published
1F1T
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BU of 1f1t by Molmil
CRYSTAL STRUCTURE OF THE MALACHITE GREEN APTAMER COMPLEXED WITH TETRAMETHYL-ROSAMINE
分子名称: MALACHITE GREEN APTAMER RNA, N,N'-TETRAMETHYL-ROSAMINE, STRONTIUM ION
著者Baugh, C, Grate, D, Wilson, C.
登録日2000-05-19
公開日2000-09-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献2.8 A crystal structure of the malachite green aptamer.
J.Mol.Biol., 301, 2000
3C3C
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BU of 3c3c by Molmil
Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-CDP
分子名称: 3-PHOSPHOGLYCERIC ACID, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
登録日2008-01-28
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
5WYO
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BU of 5wyo by Molmil
Solution structure of E.coli HdeA
分子名称: Acid stress chaperone HdeA
著者Yang, C, Hu, Y, Jin, C.
登録日2017-01-14
公開日2017-11-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Characterizations of the Interactions between Escherichia coli Periplasmic Chaperone HdeA and Its Native Substrates during Acid Stress
Biochemistry, 56, 2017
5X74
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BU of 5x74 by Molmil
The crystal Structure PDE delta in complex with compound (R, R)-1g
分子名称: (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
登録日2017-02-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5X73
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BU of 5x73 by Molmil
The crystal Structure PDE delta in complex with R-p9
分子名称: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
登録日2017-02-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
4URV
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BU of 4urv by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ...
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015

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