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6WBX
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BU of 6wbx by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 1
分子名称: CALCIUM ION, DUF3367 domain-containing protein
著者Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
登録日2020-03-27
公開日2020-05-13
最終更新日2020-06-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
6WBY
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BU of 6wby by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 2
分子名称: CALCIUM ION, DUF3367 domain-containing protein
著者Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
登録日2020-03-27
公開日2020-05-13
最終更新日2020-06-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
5HA9
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BU of 5ha9 by Molmil
Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer
分子名称: Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
著者Fu, L, Peng, H, Zhang, L, Ouyang, L.
登録日2015-12-30
公開日2016-03-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer.
Sci Rep, 6, 2016
8OZ3
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BU of 8oz3 by Molmil
Crystal structure of scFv ATOR 1017 bound to human 4-1BB
分子名称: Single chain Fv, Tumor necrosis factor receptor superfamily member 9
著者Hakansson, M, Von Schantz, L, Rose, N.
登録日2023-05-08
公開日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1.
Cancer Immunol.Immunother., 72, 2023
5DUM
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BU of 5dum by Molmil
Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 65C6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 65C6 Heavy Chain, 65C6 Light Chain, ...
著者Sun, J, Zuo, T, Wang, G, Zhou, P, Zhang, L, Wang, X.
登録日2015-09-19
公開日2015-12-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
2CSE
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BU of 2cse by Molmil
Features of Reovirus Outer-Capsid Protein mu1 Revealed by Electron and Image Reconstruction of the virion at 7.0-A Resolution
分子名称: Minor core protein lambda 3, Sigma 2 protein, guanylyltransferase, ...
著者Zhang, X, Ji, Y, Zhang, L, Harrison, S.C, Marinescu, D.C, Nibert, M.L, Baker, T.S.
登録日2005-05-21
公開日2005-10-18
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Features of reovirus outer capsid protein mu1 revealed by electron cryomicroscopy and image reconstruction of the virion at 7.0 Angstrom resolution.
Structure, 13, 2005
5IDK
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BU of 5idk by Molmil
Crystal structure of West Nile Virus NS2B-NS3 protease in complex with a capped dipeptide boronate inhibitor
分子名称: ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol, DIMETHYL SULFOXIDE, ...
著者Hilgenfeld, R, Zhang, L.
登録日2016-02-24
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Peptide-Boronic Acid Inhibitors of Flaviviral Proteases: Medicinal Chemistry and Structural Biology.
J. Med. Chem., 60, 2017
8CTJ
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BU of 8ctj by Molmil
Cryo-EM structure of TMEM87A
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Transmembrane protein 87A
著者Hoel, C.M, Zhang, L, Brohawn, S.G.
登録日2022-05-15
公開日2022-07-20
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (4.74 Å)
主引用文献Structure of the GOLD-domain seven-transmembrane helix protein family member TMEM87A.
Elife, 11, 2022
6F0X
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BU of 6f0x by Molmil
Cryo-EM structure of TRIP13 in complex with ATP gamma S, p31comet, C-Mad2 and Cdc20
分子名称: Cell division cycle protein 20 homolog, MAD2L1-binding protein, Mitotic spindle assembly checkpoint protein MAD2A, ...
著者Alfieri, C, Chang, L, Barford, D.
登録日2017-11-20
公開日2018-05-02
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Mechanism for remodelling of the cell cycle checkpoint protein MAD2 by the ATPase TRIP13.
Nature, 559, 2018
5MTK
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BU of 5mtk by Molmil
Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199)
分子名称: (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1
著者Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D.
登録日2017-01-09
公開日2018-02-28
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
5MMV
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BU of 5mmv by Molmil
Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
分子名称: (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1
著者Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D.
登録日2016-12-12
公開日2017-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
To Be Published
8SK5
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BU of 8sk5 by Molmil
Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH
著者Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y.
登録日2023-04-18
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants.
Sci Rep, 13, 2023
5KC2
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BU of 5kc2 by Molmil
Negative stain structure of Vps15/Vps34 complex
分子名称: Phosphatidylinositol 3-kinase VPS34, Serine/threonine-protein kinase VPS15
著者Kirsten, M.L, Zhang, L, Ohashi, Y, Perisic, O, Williams, R.L, Sachse, C.
登録日2016-06-04
公開日2016-10-05
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (28 Å)
主引用文献Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
5KC1
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BU of 5kc1 by Molmil
Structure of the C-terminal dimerization domain of Atg38
分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, Autophagy-related protein 38, ...
著者Ohashi, Y, Soler, N, Garcia-Ortegon, M, Zhang, L, Perisic, O, Masson, G.R, Johnson, C.M, Williams, R.J.
登録日2016-06-04
公開日2016-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
2HAP
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BU of 2hap by Molmil
STRUCTURE OF A HAP1-18/DNA COMPLEX REVEALS THAT PROTEIN/DNA INTERACTIONS CAN HAVE DIRECT ALLOSTERIC EFFECTS ON TRANSCRIPTIONAL ACTIVATION
分子名称: DNA (5'-D(*AP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*T)-3'), DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*T)-3'), PROTEIN (HEME ACTIVATOR PROTEIN), ...
著者King, D.A, Zhang, L, Guarente, L, Marmorstein, R.
登録日1998-09-17
公開日1999-11-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of HAP1-18-DNA implicates direct allosteric effect of protein-DNA interactions on transcriptional activation.
Nat.Struct.Biol., 6, 1999
5MWV
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BU of 5mwv by Molmil
Solid-state NMR Structure of outer membrane protein G in lipid bilayers
分子名称: Outer membrane protein G
著者Retel, J.S, Nieuwkoop, A.J, Hiller, M, Higman, V.A, Barbet-Massin, E, Stanek, J, Andreas, L.B, Franks, W.T, van Rossum, B.-J, Vinothkumar, K.R, Handel, L, de Palma, G.G, Bardiaux, B, Pintacuda, G, Emsley, L, Kuelbrandt, W, Oschkinat, H.
登録日2017-01-20
公開日2017-12-27
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure of outer membrane protein G in lipid bilayers.
Nat Commun, 8, 2017
5LWP
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BU of 5lwp by Molmil
Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists
分子名称: 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma
著者Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F.
登録日2016-09-19
公開日2016-11-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
4GWK
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BU of 4gwk by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase complexed with 3-phosphoglyceric acid
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PHOSPHOGLYCERIC ACID, 6-phosphogluconate dehydrogenase, ...
著者He, C, Zhou, L, Zhang, L.
登録日2012-09-03
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.534 Å)
主引用文献Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth.
Cancer Cell, 22, 2012
4GPZ
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BU of 4gpz by Molmil
Crystal structure of human B type phosphoglycerate mutase H11 phosphorylated form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Phosphoglycerate mutase 1
著者He, C, Zhou, L, Zhang, L.
登録日2012-08-22
公開日2013-05-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Tyr26 phosphorylation of PGAM1 provides a metabolic advantage to tumours by stabilizing the active conformation.
Nat Commun, 4, 2013
4X31
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BU of 4x31 by Molmil
Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with serial millisecond crystallography using synchrotron radiation
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
著者Nogly, P, James, D, Wang, D, White, T, Zatsepin, N, Shilova, A, Nelson, G, Liu, H, Johansson, L, Heymann, M, Jaeger, K, Metz, M, Wickstrand, C, Wu, W, Baath, P, Berntsen, P, Oberthuer, D, Panneels, V, Cherezov, V, Chapman, H, Spence, J, Schertler, G, Neutze, R, Moraes, I, Burghammer, M, Standfuss, J, Weierstall, U.
登録日2014-11-27
公開日2015-02-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
5X3E
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BU of 5x3e by Molmil
kinesin 6
分子名称: IODIDE ION, Kinesin-like protein, SULFATE ION
著者Chen, Z, Guan, R, Zhang, L.
登録日2017-02-04
公開日2017-04-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of Zen4 in the apo state reveals a missing conformation of kinesin
Nat Commun, 8, 2017
8JFG
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BU of 8jfg by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhou, J.S, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFN
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BU of 8jfn by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NAD+ and crotonyl-ACP from Helicobacter pylori
分子名称: Acyl carrier protein, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFM
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BU of 8jfm by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NADH from Helicobacter pylori
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFJ
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BU of 8jfj by Molmil
Crystal structure of enoyl-ACP reductase FabI from Helicobacter pylori
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023

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