6IC0
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![BU of 6ic0 by Molmil](/molmil-images/mine/6ic0) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4 | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | 登録日 | 2018-12-01 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. Bioorg. Med. Chem. Lett., 29, 2019
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6CCQ
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6CYM
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6CP6
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![BU of 6cp6 by Molmil](/molmil-images/mine/6cp6) | Monomer yeast ATP synthase (F1Fo) reconstituted in nanodisc. | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase protein 8, ... | 著者 | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | 登録日 | 2018-03-13 | 公開日 | 2018-04-11 | 最終更新日 | 2020-10-14 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane. Science, 360, 2018
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6CRG
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![BU of 6crg by Molmil](/molmil-images/mine/6crg) | Crystal Structure of Shp2 E76K GOF Mutant in complex with SHP099 | 分子名称: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, SULFATE ION, ... | 著者 | Stams, T, Fodor, M. | 登録日 | 2018-03-17 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition. Nat Commun, 9, 2018
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8HX6
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8HX7
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8HX9
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![BU of 8hx9 by Molmil](/molmil-images/mine/8hx9) | Crystal structure of 4-amino-4-deoxychorismate synthase from Streptomyces venezuelae with chorismate | 分子名称: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, 4-amino-4-deoxychorismate synthase, FORMIC ACID, ... | 著者 | Nakamichi, Y, Watanabe, M. | 登録日 | 2023-01-04 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Structural basis for the allosteric pathway of 4-amino-4-deoxychorismate synthase. Acta Crystallogr D Struct Biol, 79, 2023
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8HX8
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6IBX
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![BU of 6ibx by Molmil](/molmil-images/mine/6ibx) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | 登録日 | 2018-12-01 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. Bioorg. Med. Chem. Lett., 29, 2019
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4V12
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![BU of 4v12 by Molmil](/molmil-images/mine/4v12) | Crystal structure of the MSMEG_6754 dehydratase from Mycobacterium smegmatis | 分子名称: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAOC LIKE DOMAIN PROTEIN | 著者 | Blaise, M. | 登録日 | 2014-09-23 | 公開日 | 2015-03-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A New Dehydratase Conferring Innate Resistance to Thiacetazone and Intra-Amoebal Survival of Mycobacterium Smegmatis. Mol.Microbiol., 96, 2015
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4ID7
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![BU of 4id7 by Molmil](/molmil-images/mine/4id7) | ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | 分子名称: | Activated CDC42 kinase 1, SULFATE ION, cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | 著者 | Jin, M, Wang, J, Kleinberg, A, Kadalbajoo, M, Siu, K, Cooke, A, Bittner, M, Yao, Y, Thelemann, A, Ji, Q, Bhagwat, S, Crew, A.P, Pachter, J, Epstein, D, Mulvihill, M.J. | 登録日 | 2012-12-11 | 公開日 | 2013-01-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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8I4S
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![BU of 8i4s by Molmil](/molmil-images/mine/8i4s) | the complex structure of SARS-CoV-2 Mpro with D8 | 分子名称: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | 著者 | Lu, M. | 登録日 | 2023-01-21 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ). Eur.J.Med.Chem., 257, 2023
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6CCK
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![BU of 6cck by Molmil](/molmil-images/mine/6cck) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | 分子名称: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-07 | 公開日 | 2018-03-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
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6CP7
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![BU of 6cp7 by Molmil](/molmil-images/mine/6cp7) | Monomer yeast ATP synthase Fo reconstituted in nanodisc generated from masked refinement. | 分子名称: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | 著者 | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | 登録日 | 2018-03-13 | 公開日 | 2018-04-11 | 最終更新日 | 2020-01-15 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane. Science, 360, 2018
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4IHL
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![BU of 4ihl by Molmil](/molmil-images/mine/4ihl) | Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A | 分子名称: | (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol, 14-3-3 protein zeta/delta, POTASSIUM ION, ... | 著者 | Molzan, M, Ottmann, C. | 登録日 | 2012-12-19 | 公開日 | 2013-09-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers. Acs Chem.Biol., 8, 2013
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4IEA
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8IHL
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![BU of 8ihl by Molmil](/molmil-images/mine/8ihl) | Overlapping tri-nucleosome | 分子名称: | DNA (353-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | 著者 | Nishimura, M, Fujii, T, Tanaka, H, Maehara, K, Nozawa, K, Takizawa, Y, Ohkawa, Y, Kurumizaka, H. | 登録日 | 2023-02-23 | 公開日 | 2024-01-17 | 最終更新日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (7.64 Å) | 主引用文献 | Genome-wide mapping and cryo-EM structural analyses of the overlapping tri-nucleosome composed of hexasome-hexasome-octasome moieties. Commun Biol, 7, 2024
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6VR0
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![BU of 6vr0 by Molmil](/molmil-images/mine/6vr0) | Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A | 分子名称: | GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION | 著者 | Mascarenhas, R.N, Liu, D, Ballicora, M, Iglesias, A, Asencion, M, Figueroa, C. | 登録日 | 2020-02-06 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A To Be Published
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8IJU
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![BU of 8iju by Molmil](/molmil-images/mine/8iju) | ATP-dependent RNA helicase DDX39A (URH49delta41) | 分子名称: | 1,2-ETHANEDIOL, ATP-dependent RNA helicase DDX39A, PHOSPHATE ION, ... | 著者 | Mikami, B, Fujita, K, Masuda, S, Kojima, M. | 登録日 | 2023-02-28 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structural differences between the closely related RNA helicases, UAP56 and URH49, fashion distinct functional apo-complexes. Nat Commun, 15, 2024
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2VXO
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![BU of 2vxo by Molmil](/molmil-images/mine/2vxo) | Human GMP synthetase in complex with XMP | 分子名称: | GMP SYNTHASE [GLUTAMINE-HYDROLYZING], SULFATE ION, XANTHOSINE-5'-MONOPHOSPHATE | 著者 | Welin, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Wikstrom, M, Nordlund, P. | 登録日 | 2008-07-08 | 公開日 | 2008-08-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Substrate Specificity and Oligomerization of Human Gmp Synthetase J.Mol.Biol., 425, 2013
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6QEG
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![BU of 6qeg by Molmil](/molmil-images/mine/6qeg) | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 2-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid (2-thiophen-2-yl-ethyl)-amide | 分子名称: | (3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide, GLYCEROL, MANGANESE (II) ION, ... | 著者 | Musil, D, Heinrich, T, Lehmann, M. | 登録日 | 2019-01-07 | 公開日 | 2019-05-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors. J.Med.Chem., 62, 2019
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3E3U
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![BU of 3e3u by Molmil](/molmil-images/mine/3e3u) | Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor | 分子名称: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase | 著者 | Meng, W, Xu, M, Pan, S, Koehn, J. | 登録日 | 2008-08-08 | 公開日 | 2009-01-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results. Bioorg.Med.Chem.Lett., 18, 2008
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1JGD
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![BU of 1jgd by Molmil](/molmil-images/mine/1jgd) | HLA-B*2709 bound to deca-peptide s10R | 分子名称: | BETA-2-MICROGLOBULIN, GLYCEROL, HUMAN LYMPHOCYTE ANTIGEN HLA-B27, ... | 著者 | Hillig, R.C, Huelsmeyer, M, Saenger, W, Volz, A, Uchanska-Ziegler, B, Ziegler, A. | 登録日 | 2001-06-25 | 公開日 | 2003-07-01 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Thermodynamic and structural analysis
of peptide- and allele-dependent properties
of two HLA-B27 subtypes exhibiting differential disease
association J.Biol.Chem., 279, 2004
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2VXZ
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![BU of 2vxz by Molmil](/molmil-images/mine/2vxz) | Crystal Structure of hypothetical protein PyrSV_gp04 from Pyrobaculum spherical virus | 分子名称: | CHLORIDE ION, GLYCEROL, PYRSV_GP04 | 著者 | Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Oke, M, Naismith, J.H, White, M.F. | 登録日 | 2008-07-15 | 公開日 | 2009-11-17 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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