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4UCR
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BU of 4ucr by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
6YSZ
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BU of 6ysz by Molmil
Cryo-EM structure of T7 bacteriophage DNA translocation gp15 core protein intermediate assembly
分子名称: Internal virion protein gp15
著者Perez-Ruiz, M, Pulido-Cid, M, Luque-Ortega, J.R, Cuervo, A, Carrascosa, J.L.
登録日2020-04-23
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Assisted assembly of bacteriophage T7 core components for genome translocation across the bacterial envelope.
Proc.Natl.Acad.Sci.USA, 118, 2021
6YT5
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BU of 6yt5 by Molmil
Cryo-EM structure of T7 bacteriophage DNA translocation gp15-gp16 core complex intermediate assembly
分子名称: Internal virion protein gp15, Peptidoglycan transglycosylase gp16
著者Perez-Ruiz, M, Pulido-Cid, M, Luque-Ortega, J.R, Cuervo, A, Carrascosa, J.L.
登録日2020-04-23
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Assisted assembly of bacteriophage T7 core components for genome translocation across the bacterial envelope.
Proc.Natl.Acad.Sci.USA, 118, 2021
1ING
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BU of 1ing by Molmil
INFLUENZA A SUBTYPE N2 NEURAMINIDASE COMPLEXED WITH AROMATIC BANA109 INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID, CALCIUM ION, ...
著者Jedrzejas, M.J, Luo, M.
登録日1995-07-07
公開日1996-08-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction.
J.Med.Chem., 38, 1995
6GQO
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BU of 6gqo by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18)
分子名称: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Vascular endothelial growth factor receptor 2
著者Ogg, D.J, Schimpl, M, Hardy, C.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
4V6W
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BU of 4v6w by Molmil
Structure of the D. melanogaster 80S ribosome
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 2S ribosomal RNA, ...
著者Anger, A.M, Armache, J.-P, Berninghausen, O, Habeck, M, Subklewe, M, Wilson, D.N, Beckmann, R.
登録日2013-02-27
公開日2014-07-09
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structures of the human and Drosophila 80S ribosome.
Nature, 497, 2013
6Z5N
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BU of 6z5n by Molmil
DnaJB1 JD-GF
分子名称: DnaJ homolog subfamily B member 1
著者Avraham-Abayev, M, London, N, Rosenzweig, R.
登録日2020-05-27
公開日2020-11-18
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献HSP40 proteins use class-specific regulation to drive HSP70 functional diversity.
Nature, 587, 2020
4VHB
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BU of 4vhb by Molmil
THIOCYANATE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP.
分子名称: PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
著者Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P.
登録日1999-03-11
公開日1999-08-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study.
J.Mol.Biol., 291, 1999
1WNW
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BU of 1wnw by Molmil
D136N mutant of Heme Oxygenase from Corynebacterium diphtheriae (HmuO)
分子名称: Heme oxygenase, IODIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Unno, M, Matsui, T, Ikeda-Saito, M.
登録日2004-08-10
公開日2004-11-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Roles of Distal Asp in Heme Oxygenase from Corynebacterium diphtheriae, HmuO: A WATER-DRIVEN OXYGEN ACTIVATION MECHANISM
J.Biol.Chem., 280, 2005
4W8W
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BU of 4w8w by Molmil
Crystal structure of oligomeric Cmr4 from Pyrococcus furiosus
分子名称: CRISPR system Cmr subunit Cmr4
著者Benda, C, Ebert, J, Baumgaertner, M, Conti, E.
登録日2014-08-26
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4.
Mol.Cell, 56, 2014
4W96
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BU of 4w96 by Molmil
Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 followed by the reaction in deoxy-myoglobin solution
分子名称: CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ...
著者Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T.
登録日2014-08-27
公開日2014-12-31
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
6GQK
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BU of 6gqk by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23)
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6ZXF
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BU of 6zxf by Molmil
Cryo-EM structure of a late human pre-40S ribosomal subunit - State G
分子名称: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
著者Ameismeier, M, Zemp, I, van den Heuvel, J, Thoms, M, Berninghausen, O, Kutay, U, Beckmann, R.
登録日2020-07-29
公開日2020-12-02
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for the final steps of human 40S ribosome maturation.
Nature, 587, 2020
1IFV
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BU of 1ifv by Molmil
CRYSTAL STRUCTURE OF PATHOGENESIS-RELATED PROTEIN LLPR10.1B FROM YELLOW LUPINE
分子名称: PROTEIN LLR18B
著者Biesiadka, J, Bujacz, G, Sikorski, M.M, Jaskolski, M.
登録日2001-04-13
公開日2002-07-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures of two homologous pathogenesis-related proteins from yellow lupine.
J.Mol.Biol., 319, 2002
6ZWR
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BU of 6zwr by Molmil
p38a bound with SR92
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC)
登録日2020-07-28
公開日2020-08-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6GQM
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BU of 6gqm by Molmil
Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229
分子名称: CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GRL
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BU of 6grl by Molmil
Structure of imine reductase (apo form) at 1.6 A resolution from Saccharomonospora xinjiangensis
分子名称: Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase
著者Hasan, M, Gand, M, Logan, D.T, Hoehne, M.
登録日2018-06-11
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of imine reductase (apo form) at 1.6 A resolution from Saccharomonospora xinjiangensis
To Be Published
4UV4
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BU of 4uv4 by Molmil
Crystal structure of anti-FPR Fpro0165 Fab fragment
分子名称: FPRO0165 FAB
著者Douthwaite, J.A, Sridharan, S, Huntington, C, Marwood, R, Hammersley, J, Hakulinen, J.K, Ek, M, Sjogren, T, Rider, D, Privezentzev, C, Seaman, J.C, Cariuk, P, Knights, V, Young, J, Wilkinson, T, Sleeman, M, Finch, D.K, Lowe, D.C, Vaughan, T.J.
登録日2014-08-04
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Affinity Maturation of a Novel Antagonistic Human Monoclonal Antibody with a Long Vh Cdr3 Targeting the Class a Gpcr Formyl-Peptide Receptor 1.
Mabs, 7, 2015
4V4P
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BU of 4v4p by Molmil
Crystal structure of 70S ribosome with thrS operator and tRNAs.
分子名称: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Jenner, L, Romby, P, Rees, B, Schulze-Briese, C, Springer, M, Ehresmann, C, Ehresmann, B, Moras, D, Yusupova, G, Yusupov, M.
登録日2005-01-19
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Translational operator of mRNA on the ribosome: how repressor proteins exclude ribosome binding.
Science, 308, 2005
1ISI
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BU of 1isi by Molmil
Crystal Structure Analysis of BST-1/CD157 complexed with ethenoNAD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NICOTINAMIDE, [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate, ...
著者Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
登録日2001-12-05
公開日2002-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
4V7G
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BU of 4v7g by Molmil
Crystal Structure of Lumazine Synthase from Bacillus Anthracis
分子名称: 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
著者Morgunova, E, Illarionov, B, Saller, S, Popov, A, Sambaiah, T, Bacher, A, Cushman, M, Fischer, M, Ladenstein, R.
登録日2009-09-16
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 66, 2010
1IUB
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BU of 1iub by Molmil
Fucose-specific lectin from Aleuria aurantia (Hg-derivative form)
分子名称: CHLORIDE ION, Fucose-specific lectin, MERCURY (II) ION, ...
著者Fujihashi, M, Peapus, D.H, Kamiya, N, Nagata, Y, Miki, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-03-01
公開日2003-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal Structure of Fucose-Specific Lectin from Aleuria aurantia Binding Ligands at Three of Its Five Sugar Recognition Sites
Biochemistry, 42, 2003
4W8Z
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Crystal structure of Cmr1 from Pyrococcus furiosus (apo form)
分子名称: CRISPR system Cmr subunit Cmr1-1
著者Benda, C, Ebert, J, Baumgaertner, M, Conti, E.
登録日2014-08-26
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4.
Mol.Cell, 56, 2014
4W78
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Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis
分子名称: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
著者Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M.
登録日2014-08-21
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献A Distinct MaoC-like Enoyl-CoA Hydratase Architecture Mediates Cholesterol Catabolism in Mycobacterium tuberculosis.
Acs Chem.Biol., 9, 2014
3LIZ
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BU of 3liz by Molmil
crystal structure of bla g 2 complexed with Fab 4C3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C3 monoclonal antibody Heavy Chain, ...
著者Li, M, Gustchina, A, Glesner, J, Wunschmann, S, Pomes, A, Wlodawer, A.
登録日2010-01-25
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanisms of allergen-antibody interaction of cockroach allergen Bla g 2 with monoclonal antibodies that inhibit IgE antibody binding.
Plos One, 6, 2011

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