8PWZ
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![BU of 8pwz by Molmil](/molmil-images/mine/8pwz) | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadBD from Mycobacterium tuberculosis | 分子名称: | (3R)-hydroxyacyl-ACP dehydratase subunit HadB, UPF0336 protein Rv0504c | 著者 | Rima, J, Grimoire, Y, Bories, P, Bardou, F, Quemard, A, Bon, C, Mourey, L, Tranier, S. | 登録日 | 2023-07-22 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.00196719 Å) | 主引用文献 | HadBD dehydratase from Mycobacterium tuberculosis fatty acid synthase type II: A singular structure for a unique function. Protein Sci., 33, 2024
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4UF0
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![BU of 4uf0 by Molmil](/molmil-images/mine/4uf0) | Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid. | 分子名称: | 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, FE (II) ION, ... | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | 登録日 | 2014-12-22 | 公開日 | 2015-01-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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1VK1
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![BU of 1vk1 by Molmil](/molmil-images/mine/1vk1) | Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001 | 分子名称: | Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | 著者 | Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | 登録日 | 2004-04-13 | 公開日 | 2004-08-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | (NZ)CH...O contacts assist crystallization of a ParB-like nuclease. Bmc Struct.Biol., 7, 2007
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8V3D
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![BU of 8v3d by Molmil](/molmil-images/mine/8v3d) | AgamOR28 structure bound to 2,4,5-trimethylthiazole | 分子名称: | 2,4,5-trimethyl-1,3-thiazole, OR28, Odorant receptor Orco | 著者 | Zhao, J, del Marmol, J. | 登録日 | 2023-11-27 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Structural basis of odor sensing by insect heteromeric odorant receptors. Science, 384, 2024
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8V00
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![BU of 8v00 by Molmil](/molmil-images/mine/8v00) | AaegOR10 apo structure | 分子名称: | Odorant receptor OR10, Odorant receptor Orco | 著者 | Zhao, J, del Marmol, J. | 登録日 | 2023-11-16 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Structural basis of odor sensing by insect heteromeric odorant receptors. Science, 384, 2024
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5K56
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![BU of 5k56 by Molmil](/molmil-images/mine/5k56) | Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-1,6-bisphosphate | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | 著者 | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | 登録日 | 2016-05-23 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | 主引用文献 | Structural studies of human muscle FBPase To Be Published
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7T0Z
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![BU of 7t0z by Molmil](/molmil-images/mine/7t0z) | Complex of GABA-A synaptic receptor with autoimmune antibody Fab175 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab175 IgG1 heavy chain, ... | 著者 | Noviello, C.M, Hibbs, R.E, Kreye, J, Teng, J, Pruss, H. | 登録日 | 2021-11-30 | 公開日 | 2022-07-13 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural mechanisms of GABA A receptor autoimmune encephalitis. Cell, 185, 2022
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8V3C
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6QYO
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![BU of 6qyo by Molmil](/molmil-images/mine/6qyo) | Structure of MBP-Mcl-1 in complex with compound 18a | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-09 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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5AJW
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![BU of 5ajw by Molmil](/molmil-images/mine/5ajw) | Human PFKFB3 in complex with an indole inhibitor 2 | 分子名称: | 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | 著者 | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | 登録日 | 2015-02-27 | 公開日 | 2015-04-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3. J.Med.Chem., 58, 2015
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8HVU
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![BU of 8hvu by Molmil](/molmil-images/mine/8hvu) | |
4U7O
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![BU of 4u7o by Molmil](/molmil-images/mine/4u7o) | Active histidine kinase bound with ATP | 分子名称: | AMP PHOSPHORAMIDATE, Histidine protein kinase sensor protein | 著者 | Cai, Y, Hu, X, Sang, J. | 登録日 | 2014-07-31 | 公開日 | 2015-09-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.395 Å) | 主引用文献 | Conformational dynamics of the essential sensor histidine kinase WalK. Acta Crystallogr D Struct Biol, 73, 2017
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6HBN
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![BU of 6hbn by Molmil](/molmil-images/mine/6hbn) | HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | 分子名称: | 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha, ... | 著者 | Niefind, K, Hochscherf, J, Dimper, V, Witulski, B, Lindenblatt, D, Jose, J, Le Borgne, M. | 登録日 | 2018-08-10 | 公開日 | 2019-03-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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8HVV
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![BU of 8hvv by Molmil](/molmil-images/mine/8hvv) | |
8HVX
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![BU of 8hvx by Molmil](/molmil-images/mine/8hvx) | |
4ZUS
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![BU of 4zus by Molmil](/molmil-images/mine/4zus) | Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide REV-QW11 | 分子名称: | Beta-2-microglobulin, Classical MHC class I antigen, GLN-ALA-GLU-VAL-LEU-GLN-GLU-ARG-LEU-GLU-TRP | 著者 | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | 登録日 | 2015-05-17 | 公開日 | 2016-04-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles J Immunol., 196, 2016
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7MBH
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![BU of 7mbh by Molmil](/molmil-images/mine/7mbh) | Structure of Human Enolase 2 in complex with phosphoserine | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ... | 著者 | Leonard, P.G, Hicks, K.G, Rutter, J. | 登録日 | 2021-03-31 | 公開日 | 2022-11-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase. Science, 379, 2023
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4ZUW
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![BU of 4zuw by Molmil](/molmil-images/mine/4zuw) | Crystal structure of Equine MHC I(Eqca-N*00601) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-GW12 | 分子名称: | Beta-2-microglobulin, Classical MHC class I antigen, GLY-SER-GLN-LYS-LEU-THR-THR-GLY-ASN-CYS-ASN-TRP | 著者 | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | 登録日 | 2015-05-17 | 公開日 | 2016-04-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles J Immunol., 196, 2016
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7SG0
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![BU of 7sg0 by Molmil](/molmil-images/mine/7sg0) | W316 TCR in complex with HLA-DQ2-omega1 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ2-glia-omega1 peptide, ... | 著者 | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | 登録日 | 2021-10-04 | 公開日 | 2022-02-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease. J.Biol.Chem., 298, 2022
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7SG1
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![BU of 7sg1 by Molmil](/molmil-images/mine/7sg1) | XPA5 TCR in complex with HLA-DQ2-alpha1 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | 登録日 | 2021-10-04 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease. J.Biol.Chem., 298, 2022
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8HVZ
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![BU of 8hvz by Molmil](/molmil-images/mine/8hvz) | |
5AK0
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![BU of 5ak0 by Molmil](/molmil-images/mine/5ak0) | Human PFKFB3 in complex with an indole inhibitor 6 | 分子名称: | (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | 著者 | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | 登録日 | 2015-02-27 | 公開日 | 2015-04-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3. J.Med.Chem., 58, 2015
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7SG2
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![BU of 7sg2 by Molmil](/molmil-images/mine/7sg2) | XPA5 TCR in complex with HLA-DQ2-omega1 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | 著者 | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | 登録日 | 2021-10-04 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease. J.Biol.Chem., 298, 2022
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4TWC
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![BU of 4twc by Molmil](/molmil-images/mine/4twc) | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4- carboxamide derivatives as potent inhibitors of CK1d/e | 分子名称: | 2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide, Casein kinase I isoform delta, DIMETHYL SULFOXIDE, ... | 著者 | Bischof, J, Leban, L, Zaja, M, Grothey, A, Radunsky, B, Othersen, O, Strobl, S, Vitt, D, Knippschild, U. | 登録日 | 2014-06-30 | 公開日 | 2014-10-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4-carboxamide derivatives as potent inhibitors of CK1d/e. Amino Acids, 43, 2012
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7NEG
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![BU of 7neg by Molmil](/molmil-images/mine/7neg) | Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | 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, Antibody COVOX-269 Fab heavy chain, Antibody COVOX-269 Fab light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D. | 登録日 | 2021-02-04 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera. Cell, 184, 2021
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