8I4U
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![BU of 8i4u by Molmil](/molmil-images/mine/8i4u) | Cryo-EM structure of 5-subunit Smc5/6 hinge region | 分子名称: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6 | 著者 | Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L. | 登録日 | 2023-01-21 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (6.73 Å) | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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4ATD
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![BU of 4atd by Molmil](/molmil-images/mine/4atd) | Crystal structure of native Raucaffricine glucosidase | 分子名称: | RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | 著者 | Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J. | 登録日 | 2012-05-05 | 公開日 | 2013-01-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | High Speed X-Ray Analysis of Plant Enzymes at Room Temperature Phytochemistry, 91, 2013
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4ATL
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![BU of 4atl by Molmil](/molmil-images/mine/4atl) | Crystal structure of Raucaffricine glucosidase in complex with Glucose | 分子名称: | RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, beta-D-glucopyranose | 著者 | Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J. | 登録日 | 2012-05-08 | 公開日 | 2013-01-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | High Speed X-Ray Analysis of Plant Enzymes at Room Temperature Phytochemistry, 91, 2013
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4RTB
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![BU of 4rtb by Molmil](/molmil-images/mine/4rtb) | X-ray structure of the FeFe-hydrogenase maturase HydG from Carboxydothermus hydrogenoformans | 分子名称: | CHLORIDE ION, HydG protein, IRON/SULFUR CLUSTER, ... | 著者 | Nicolet, Y, Pagnier, A, Zeppieri, L, Martin, L, Amara, P, Fontecilla-Camps, J.C. | 登録日 | 2014-11-14 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Crystal Structure of HydG from Carboxydothermus hydrogenoformans: A Trifunctional [FeFe]-Hydrogenase Maturase. Chembiochem, 16, 2015
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2WGI
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![BU of 2wgi by Molmil](/molmil-images/mine/2wgi) | Crystal structure of the acyl-enzyme OXA-10 W154A-benzylpenicillin at pH 6 | 分子名称: | BETA-LACTAMASE OXA-10, GLYCEROL, OPEN FORM - PENICILLIN G | 著者 | Vercheval, L, Falzone, C, Sauvage, E, Herman, R, Charlier, P, Galleni, M, Kerff, F. | 登録日 | 2009-04-20 | 公開日 | 2009-11-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Critical Role of Tryptophan 154 for the Activity and Stability of Class D Beta-Lactamases. Biochemistry, 48, 2009
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6C6N
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2UWD
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![BU of 2uwd by Molmil](/molmil-images/mine/2uwd) | Inhibition of the HSP90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole, isoxazole amide analogs | 分子名称: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, ... | 著者 | Sharp, S.Y, Prodromou, C, Boxall, K, Powers, M.V, Holmes, J.L, Box, G, Matthews, T.P, Cheung, K.M, Kalusa, A, James, K, Hayes, A, Hardcastle, A, Dymock, B, Brough, P.A, Barril, X, Cansfield, J.E, Wright, L.M, Surgenor, A, Foloppe, N, Aherne, W, Pearl, L, Jones, K, McDonald, E, Raynaud, F, Eccles, S, Drysdale, M, Workman, P. | 登録日 | 2007-03-20 | 公開日 | 2007-04-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues. Mol. Cancer Ther., 6, 2007
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4TRN
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![BU of 4trn by Molmil](/molmil-images/mine/4trn) | STRUCTURE OF INHA FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED TO NADH | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, INHA, ... | 著者 | Chollet, A, Julien, S, Mourey, L, Maveyraud, L. | 登録日 | 2014-06-17 | 公開日 | 2015-04-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach. J.Struct.Biol., 190, 2015
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5OSQ
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![BU of 5osq by Molmil](/molmil-images/mine/5osq) | ZP-N domain of mammalian sperm receptor ZP3 (crystal form II, processed in P21221) | 分子名称: | CALCIUM ION, Maltose-binding periplasmic protein,Zona pellucida sperm-binding protein 3, TRIETHYLENE GLYCOL, ... | 著者 | Jovine, L, Monne, M. | 登録日 | 2017-08-18 | 公開日 | 2017-09-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structure of the ZP-N domain of ZP3 reveals the core fold of animal egg coats Nature, 456, 2008
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4A5V
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![BU of 4a5v by Molmil](/molmil-images/mine/4a5v) | Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4 | 分子名称: | MICRONEMAL PROTEIN 4 | 著者 | Marchant, J, Cowper, B, Liu, Y, Lai, L, Pinzan, C, Marq, J.B, Friedrich, N, Sawmynaden, K, Chai, W, Childs, R.A, Saouros, S, Simpson, P, Barreira, M.C.R, Feizi, T, Soldati-Favre, D, Matthews, S. | 登録日 | 2011-10-28 | 公開日 | 2012-04-04 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Galactose Recognition by the Apicomplexan Parasite Toxoplasma Gondii. J.Biol.Chem., 287, 2012
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6C6R
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4BD4
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![BU of 4bd4 by Molmil](/molmil-images/mine/4bd4) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant H43F | 分子名称: | GLYCEROL, SUPEROXIDE DISMUTASE [CU-ZN] | 著者 | Awad, W, Saraboji, K, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T. | 登録日 | 2012-10-04 | 公開日 | 2013-02-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Global Structural Motions from the Strain of a Single Hydrogen Bond. Proc.Natl.Acad.Sci.USA, 110, 2013
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1FNQ
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![BU of 1fnq by Molmil](/molmil-images/mine/1fnq) | CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> GLU FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES | 分子名称: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | 著者 | Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G. | 登録日 | 2000-08-23 | 公開日 | 2001-04-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | X-ray structure analyses of photosynthetic reaction center variants from Rhodobacter sphaeroides: structural changes induced by point mutations at position L209 modulate electron and proton transfer. Biochemistry, 40, 2001
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8Q0C
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![BU of 8q0c by Molmil](/molmil-images/mine/8q0c) | Human carbonic anhydrase II containing 3-fluorotyrosine | 分子名称: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION | 著者 | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | 登録日 | 2023-07-28 | 公開日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact. Protein Sci., 33, 2024
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2XB8
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![BU of 2xb8 by Molmil](/molmil-images/mine/2xb8) | Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid | 分子名称: | (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | 著者 | Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2010-04-08 | 公開日 | 2010-09-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids. Chemmedchem, 5, 2010
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7ZOK
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![BU of 7zok by Molmil](/molmil-images/mine/7zok) | A novel molecular switch controls assembly of bacterial focal adhesions in response to changes in surface structure. | 分子名称: | Adventurous gliding motility protein GltJ, ZINC ION | 著者 | Attia, B, My, L, Castaing, J.P, Le Guenno, H, Espinosa, L, Schmidt, V, Nouailler, M, Bornet, O, Mignot, T, Elantak, L. | 登録日 | 2022-04-25 | 公開日 | 2023-02-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | A novel molecular switch controls assembly of bacterial focal adhesions in response to changes in surface structure. To Be Published
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4Y2A
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![BU of 4y2a by Molmil](/molmil-images/mine/4y2a) | Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor | 分子名称: | 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ... | 著者 | Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N. | 登録日 | 2015-02-09 | 公開日 | 2015-04-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family. Plos Pathog., 11, 2015
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4J6I
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![BU of 4j6i by Molmil](/molmil-images/mine/4j6i) | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform | 分子名称: | 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Murray, J.M, Rouge, L, Wu, P. | 登録日 | 2013-02-11 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform. Bioorg.Med.Chem.Lett., 23, 2013
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4RL6
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![BU of 4rl6 by Molmil](/molmil-images/mine/4rl6) | Crystal Structure of the Q04L03_STRP2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR105 | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Saccharopine dehydrogenase | 著者 | Vorobiev, S, Neely, H.M, Odukwe, C.D, Seetharaman, J, Mao, L, Xiao, R, Kohan, E, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2014-10-15 | 公開日 | 2014-11-05 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Crystal Structure of the Q04L03_STRP2 protein from Streptococcus pneumoniae. To be Published
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1PZU
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![BU of 1pzu by Molmil](/molmil-images/mine/1pzu) | An asymmetric NFAT1-RHR homodimer on a pseudo-palindromic, Kappa-B site | 分子名称: | 5'-D(*AP*AP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*TP*C)-3', 5'-D(*TP*TP*GP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*A)-3', Nuclear factor of activated T-cells, ... | 著者 | Jin, L, Sliz, P, Chen, L, Macian, F, Rao, A, Hogan, P.G, Harrison, S.C. | 登録日 | 2003-07-14 | 公開日 | 2003-09-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | An asymmetric NFAT1 dimer on a pseudo-palindromic KB-like DNA site Nat.Struct.Biol., 10, 2003
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2WQB
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![BU of 2wqb by Molmil](/molmil-images/mine/2wqb) | Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor | 分子名称: | 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE, ANGIOPOIETIN-1 RECEPTOR | 著者 | Brassington, C, Breed, J, Buttar, D, Fitzek, M, Forder, C, Hassall, L, Hayter, B.R, Jones, C.D, Luke, R.W.A, McCall, E, McCoull, W, Norman, R, Paterson, D, McMiken, H, Rowsell, S, Tucker, J.A. | 登録日 | 2009-08-18 | 公開日 | 2009-11-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo. Bioorg.Med.Chem.Lett., 19, 2009
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3ZOQ
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![BU of 3zoq by Molmil](/molmil-images/mine/3zoq) | Structure of BsUDG-p56 complex | 分子名称: | CHLORIDE ION, GLYCEROL, P56, ... | 著者 | Banos-Sanz, J.I, Mojardin, L, Sanz-Aparicio, J, Gonzalez, B, Salas, M. | 登録日 | 2013-02-22 | 公開日 | 2013-05-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal Structure and Functional Insights Into Uracil-DNA Glycosylase Inhibition by Phage Phi29 DNA Mimic Protein P56 Nucleic Acids Res., 41, 2013
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190D
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![BU of 190d by Molmil](/molmil-images/mine/190d) | |
8B0T
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![BU of 8b0t by Molmil](/molmil-images/mine/8b0t) | SARS-CoV-2 Main Protease adduct with Au(PEt3)Br | 分子名称: | 3C-like proteinase nsp5, GOLD ION | 著者 | Massai, L, Grifagni, D, De Santis, A, Geri, A, Calderone, V, Cantini, F, Banci, L, Messori, L. | 登録日 | 2022-09-08 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs. Biomolecules, 12, 2022
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5J1V
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![BU of 5j1v by Molmil](/molmil-images/mine/5j1v) | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-03-29 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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