6FTK
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![BU of 6ftk by Molmil](/molmil-images/mine/6ftk) | Gp36-MPER | 分子名称: | Envelope protein | 著者 | D'Ursi, A.M, Grimaldi, M. | 登録日 | 2018-02-22 | 公開日 | 2019-03-20 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR Structure of the FIV gp36 C-Terminal Heptad Repeat and Membrane-Proximal External Region. Int J Mol Sci, 21, 2020
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8AAA
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![BU of 8aaa by Molmil](/molmil-images/mine/8aaa) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | 分子名称: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide | 著者 | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | 登録日 | 2022-06-30 | 公開日 | 2023-06-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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6G81
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![BU of 6g81 by Molmil](/molmil-images/mine/6g81) | Solution structure of the Ni metallochaperone HypA from Helicobacter pylori | 分子名称: | Hydrogenase maturation factor HypA, ZINC ION | 著者 | Spronk, C.A.E.M, Zerko, S, Gorka, M, Kozminski, W, Bardiaux, B, Zambelli, B, Musiani, F, Piccioli, M, Hu, H, Maroney, M, Ciurli, S. | 登録日 | 2018-04-07 | 公開日 | 2018-10-10 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure and dynamics of Helicobacter pylori nickel-chaperone HypA: an integrated approach using NMR spectroscopy, functional assays and computational tools. J. Biol. Inorg. Chem., 23, 2018
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7RSE
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![BU of 7rse by Molmil](/molmil-images/mine/7rse) | NMR-driven structure of the KRAS4B-G12D "alpha-beta" dimer on a lipid bilayer nanodisc | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, GTPase KRas, ... | 著者 | Lee, K, Enomoto, M, Gebregiworgis, T, Gasmi-Seabrook, G.M, Ikura, M, Marshall, C.B. | 登録日 | 2021-08-11 | 公開日 | 2021-09-22 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization. Chem Sci, 12, 2021
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7RSC
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![BU of 7rsc by Molmil](/molmil-images/mine/7rsc) | NMR-driven structure of the KRAS4B-G12D "alpha-alpha" dimer on a lipid bilayer nanodisc | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, GTPase KRas, ... | 著者 | Lee, K, Enomoto, M, Gebregiworgis, T, Gasmi-Seabrook, G.M, Ikura, M, Marshall, C.B. | 登録日 | 2021-08-11 | 公開日 | 2021-09-22 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization. Chem Sci, 12, 2021
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5KH0
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8GMK
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![BU of 8gmk by Molmil](/molmil-images/mine/8gmk) | Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ... | 著者 | Pathirage, R, Ronning, D, Yamsek, M. | 登録日 | 2023-03-26 | 公開日 | 2023-06-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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2ORS
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![BU of 2ors by Molmil](/molmil-images/mine/2ors) | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex | 分子名称: | 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ... | 著者 | Adler, M, Whitlow, M. | 登録日 | 2007-02-04 | 公開日 | 2007-04-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
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8A9L
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![BU of 8a9l by Molmil](/molmil-images/mine/8a9l) | Cryo-EM structure of alpha-synuclein filaments from Parkinson's disease and dementia with Lewy bodies | 分子名称: | Alpha-synuclein, Unknown fragment | 著者 | Yang, Y, Shi, Y, Schweighauser, M, Zhang, X.J, Kotecha, A, Murzin, A.G, Garringer, H.J, Cullinane, P, Saito, Y, Foroud, T, Warner, T.T, Hasegawa, K, Vidal, R, Murayama, S, Revesz, T, Ghetti, B, Hasegawa, M, Lashley, T, Scheres, H.W.S, Goedert, M. | 登録日 | 2022-06-28 | 公開日 | 2022-08-31 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | Structures of alpha-synuclein filaments from human brains with Lewy pathology. Nature, 610, 2022
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6GF0
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![BU of 6gf0 by Molmil](/molmil-images/mine/6gf0) | Lysozyme structure determined from SFX data using a Sheet-on-Sheet chipless chip | 分子名称: | Lysozyme C | 著者 | Doak, R.B, Gorel, A, Foucar, L, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrel, D, Owen, R, Barends, T.R.M, Schlichting, I. | 登録日 | 2018-04-27 | 公開日 | 2018-10-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Crystallography on a chip - without the chip: sheet-on-sheet sandwich. Acta Crystallogr D Struct Biol, 74, 2018
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1LHL
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![BU of 1lhl by Molmil](/molmil-images/mine/1lhl) | ROLE OF PROLINE RESIDUES IN HUMAN LYSOZYME STABILITY: A SCANNING CALORIMETRIC STUDY COMBINED WITH X-RAY STRUCTURE ANALYSIS OF PROLINE MUTANTS | 分子名称: | HUMAN LYSOZYME | 著者 | Inaka, K, Matsushima, M, Herning, T, Kuroki, R, Yutani, K, Kikuchi, M. | 登録日 | 1992-03-27 | 公開日 | 1994-01-31 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Role of proline residues in human lysozyme stability: a scanning calorimetric study combined with X-ray structure analysis of proline mutants. Biochemistry, 31, 1992
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6C5R
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![BU of 6c5r by Molmil](/molmil-images/mine/6c5r) | Crystal structure of the soluble domain of the mitochondrial calcium uniporter | 分子名称: | calcium uniporter | 著者 | Fan, C, Fan, M, Fastman, N, Zhang, J, Feng, L. | 登録日 | 2018-01-16 | 公開日 | 2018-07-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.09608316 Å) | 主引用文献 | X-ray and cryo-EM structures of the mitochondrial calcium uniporter. Nature, 559, 2018
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6GP2
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![BU of 6gp2 by Molmil](/molmil-images/mine/6gp2) | Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, DOPA-active form | 分子名称: | CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain | 著者 | Srinivas, V, Lebrette, H, Lundin, D, Kutin, Y, Sahlin, M, Lerche, M, Enrich, J, Branca, R.M.M, Cox, N, Sjoberg, B.M, Hogbom, M. | 登録日 | 2018-06-05 | 公開日 | 2018-08-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens. Nature, 563, 2018
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6JVX
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![BU of 6jvx by Molmil](/molmil-images/mine/6jvx) | Crystal structure of RBM38 in complex with RNA | 分子名称: | RNA (5'-R(*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*G)-3'), RNA-binding protein 38, SULFATE ION | 著者 | Qian, K, Li, M, Wang, J, Zhang, M, Wang, M. | 登録日 | 2019-04-17 | 公開日 | 2020-01-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Structural basis for mRNA recognition by human RBM38. Biochem.J., 477, 2020
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4ZZX
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![BU of 4zzx by Molmil](/molmil-images/mine/4zzx) | Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor | 分子名称: | 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2 | 著者 | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | 登録日 | 2015-04-15 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy. J.Med.Chem., 58, 2015
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8D32
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![BU of 8d32 by Molmil](/molmil-images/mine/8d32) | Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to 5-deoxyadenosylrhodibalamin and PPPi | 分子名称: | 5'-DEOXYADENOSINE, Corrinoid adenosyltransferase, MAGNESIUM ION, ... | 著者 | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | 登録日 | 2022-05-31 | 公開日 | 2023-05-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A noble substitution leads to the cofactor mimicry by rhodibalamin To Be Published
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6GQJ
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![BU of 6gqj by Molmil](/molmil-images/mine/6gqj) | Crystal structure of human c-KIT 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, Mast/stem cell growth factor receptor Kit | 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 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.33 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
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4ZYD
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5TJF
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![BU of 5tjf by Molmil](/molmil-images/mine/5tjf) | The crystal structure of Allophycocyanin from the red algae Gracilaria chilensis | 分子名称: | Allophycocyanin alpha subunit, Allophycocyanin beta subunit, CHLORIDE ION, ... | 著者 | Figueroa, M, Dagnino, J, Kerff, F, Chartier, P, Bunster, M, Martinez-Oyanedel, J. | 登録日 | 2016-10-04 | 公開日 | 2017-05-24 | 最終更新日 | 2017-06-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural models of the different trimers present in the core of phycobilisomes from Gracilaria chilensis based on crystal structures and sequences. PLoS ONE, 12, 2017
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5J2V
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5H0H
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![BU of 5h0h by Molmil](/molmil-images/mine/5h0h) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,N,4-trimethylpentanamide | 分子名称: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide, Tyrosine-protein kinase HCK | 著者 | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-10-04 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
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5AAY
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![BU of 5aay by Molmil](/molmil-images/mine/5aay) | TBK1 recruitment to cytosol-invading Salmonella induces anti- bacterial autophagy | 分子名称: | NF-KAPPA-B ESSENTIAL MODULATOR, ZINC ION | 著者 | Thurston, T.l, Allen, M.D, Ravenhill, B, Karpiyevitch, M, Bloor, S, Kaul, A, Matthews, S, Komander, D, Holden, D, Bycroft, M, Randow, F. | 登録日 | 2015-07-31 | 公開日 | 2016-07-13 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Recruitment of Tbk1 to Cytosol-Invading Salmonella Induces Wipi2-Dependent Antibacterial Autophagy. Embo J., 35, 2016
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6SS5
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![BU of 6ss5 by Molmil](/molmil-images/mine/6ss5) | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0020187 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | 登録日 | 2019-09-06 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation. Proc.Natl.Acad.Sci.USA, 117, 2020
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6SSC
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![BU of 6ssc by Molmil](/molmil-images/mine/6ssc) | N-acetylmuramoyl-L-alanine amidase LysC from Clostridium intestinale URNW | 分子名称: | GLYCEROL, N-acetylmuramoyl-L-alanine amidase, PHOSPHATE ION, ... | 著者 | Hakansson, M, Al-Karadaghi, S, Kovacic, R, Plotka, M, Kaczorowska, A.K, Kaczorowski, T. | 登録日 | 2019-09-06 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Molecular Characterization of a Novel Lytic Enzyme LysC from Clostridium intestinale URNW and Its Antibacterial Activity Mediated by Positively Charged N -Terminal Extension. Int J Mol Sci, 21, 2020
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1BVN
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![BU of 1bvn by Molmil](/molmil-images/mine/1bvn) | PIG PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE PROTEINACEOUS INHIBITOR TENDAMISTAT | 分子名称: | CALCIUM ION, CHLORIDE ION, PROTEIN (ALPHA-AMYLASE), ... | 著者 | Machius, M, Wiegand, G, Epp, O, Huber, R. | 登録日 | 1998-09-16 | 公開日 | 1998-09-23 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structure of porcine pancreatic alpha-amylase in complex with the microbial inhibitor Tendamistat. J.Mol.Biol., 247, 1995
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