5NV9
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![BU of 5nv9 by Molmil](/molmil-images/mine/5nv9) | Substrate-bound outward-open state of a Na+-coupled sialic acid symporter reveals a novel Na+-site | 分子名称: | DODECYL-BETA-D-MALTOSIDE, N-acetyl-beta-neuraminic acid, PHOSPHATE ION, ... | 著者 | Wahlgren, W.Y, North, R.A, Dunevall, E, Paz, A, Goyal, P, Bisignano, P, Grabe, M, Dobson, R, Abramson, J, Ramaswamy, S, Friemann, R. | 登録日 | 2017-05-03 | 公開日 | 2018-04-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site. Nat Commun, 9, 2018
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6D8T
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5NVA
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![BU of 5nva by Molmil](/molmil-images/mine/5nva) | Substrate-bound outward-open state of a Na+-coupled sialic acid symporter reveals a novel Na+-site | 分子名称: | N-acetyl-beta-neuraminic acid, Putative sodium:solute symporter, SODIUM ION | 著者 | Wahlgren, W.Y, North, R.A, Dunevall, E, Goyal, P, Grabe, M, Dobson, R, Abramson, J, Ramaswamy, S, Friemann, R. | 登録日 | 2017-05-03 | 公開日 | 2018-04-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site. Nat Commun, 9, 2018
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6ZBP
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![BU of 6zbp by Molmil](/molmil-images/mine/6zbp) | H11-H4 complex with SARS-CoV-2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H11-H4, SULFATE ION, ... | 著者 | Naismith, J.H, Huo, J, Mikolajek, H, Ward, P, Dumoux, M, Owens, R.J, LeBas, A. | 登録日 | 2020-06-08 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | H11-D4 complex with SARS-CoV-2 RBD To Be Published
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6G2S
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![BU of 6g2s by Molmil](/molmil-images/mine/6g2s) | Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | 分子名称: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | 著者 | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | 登録日 | 2018-03-23 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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6S0G
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![BU of 6s0g by Molmil](/molmil-images/mine/6s0g) | Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | 著者 | Robescu, M.R, Niero, M, Hall, M, Bergantino, E, Cendron, L. | 登録日 | 2019-06-14 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE. Appl.Microbiol.Biotechnol., 104, 2020
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6RZ9
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![BU of 6rz9 by Molmil](/molmil-images/mine/6rz9) | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | 著者 | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | 登録日 | 2019-06-12 | 公開日 | 2019-12-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
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5NXM
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![BU of 5nxm by Molmil](/molmil-images/mine/5nxm) | Carbonic Anhydrase II Inhibitor RA1 | 分子名称: | 8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-05-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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8G66
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![BU of 8g66 by Molmil](/molmil-images/mine/8g66) | Structure with SJ3149 | 分子名称: | (3S)-3-{5-[(1,2-benzoxazol-3-yl)amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-2,6-dione, Casein kinase I isoform alpha, DNA damage-binding protein 1, ... | 著者 | Miller, D.J, Young, S.M, Fischer, M. | 登録日 | 2023-02-14 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | Structure of ternary complex with molecular glue targeting CK1A for degradation by the CRL4CRBN ubiquitin ligase To Be Published
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7QAJ
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![BU of 7qaj by Molmil](/molmil-images/mine/7qaj) | ZK002 with Anti-angiogenic and Anti-inflamamtory Properties | 分子名称: | SULFATE ION, Snaclec clone 2100755 alpha, Snaclec clone 2100755 beta | 著者 | Wong, W.Y, Chan, B.D, Muk Lan Lee, M, Dai, X, Tsim, K.W.K, Hsiao, W.L.W, Li, M, Li, X.Y, Tai, W.C.S. | 登録日 | 2021-11-17 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Isolation and characterization of ZK002, a novel dual function snake venom protein from Deinagkistrodon acutus with anti-angiogenic and anti-inflammatory properties. Front Pharmacol, 14, 2023
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1HKU
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![BU of 1hku by Molmil](/molmil-images/mine/1hku) | CtBP/BARS: a dual-function protein involved in transcription corepression and Golgi membrane fission | 分子名称: | C-TERMINAL BINDING PROTEIN 3, FORMIC ACID, GLYCEROL, ... | 著者 | Nardini, M, Spano, S, Cericola, C, Pesce, A, Massaro, A, Millo, E, Luini, A, Corda, D, Bolognesi, M. | 登録日 | 2003-03-11 | 公開日 | 2003-06-19 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Ctbp/Bars: A Dual-Function Protein Involved in Transcription Co-Repression and Golgi Membrane Fission Embo J., 22, 2003
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6HME
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![BU of 6hme by Molmil](/molmil-images/mine/6hme) | LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA; CSNK2A1 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | 分子名称: | 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ... | 著者 | Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M. | 登録日 | 2018-09-12 | 公開日 | 2019-03-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 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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2UZR
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![BU of 2uzr by Molmil](/molmil-images/mine/2uzr) | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K) | 分子名称: | RAC-alpha serine/threonine-protein kinase | 著者 | Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E. | 登録日 | 2007-05-01 | 公開日 | 2007-07-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer. Nature, 448, 2007
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8H99
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![BU of 8h99 by Molmil](/molmil-images/mine/8h99) | Crystal structure of E. coli ThrS catalytic domain mutant | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, IMIDAZOLE, MAGNESIUM ION, ... | 著者 | Qiao, H, Xia, M, Wang, J, Fang, P. | 登録日 | 2022-10-25 | 公開日 | 2023-02-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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6S83
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![BU of 6s83 by Molmil](/molmil-images/mine/6s83) | Crystal structure of methionine adenosyltransferase from Pyrococcus furiosus in complex with AMPPCP, SAM, and PCP | 分子名称: | MAGNESIUM ION, METHYLENEDIPHOSPHONIC ACID, PHOSPHATE ION, ... | 著者 | Degano, M, Minici, C, Porcelli, M. | 登録日 | 2019-07-08 | 公開日 | 2020-02-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.336 Å) | 主引用文献 | Structures of catalytic cycle intermediates of the Pyrococcus furiosus methionine adenosyltransferase demonstrate negative cooperativity in the archaeal orthologues. J.Struct.Biol., 210, 2020
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8H9C
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![BU of 8h9c by Molmil](/molmil-images/mine/8h9c) | Crystal structure of chemically modified E. coli ThrS catalytic domain 4 | 分子名称: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | 著者 | Qiao, H, Xia, M, Wang, J, Fang, P. | 登録日 | 2022-10-25 | 公開日 | 2023-02-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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7ARS
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![BU of 7ars by Molmil](/molmil-images/mine/7ars) | The de novo designed hybrid alpha/beta-miniprotein (with Se-Methionine) | 分子名称: | MAGNESIUM ION, alpha/beta-peptide, trifluoroacetic acid | 著者 | Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L. | 登録日 | 2020-10-26 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | A computationally designed beta-amino acid-containing miniprotein. Chem.Commun.(Camb.), 57, 2021
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5NXI
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![BU of 5nxi by Molmil](/molmil-images/mine/5nxi) | Carbonic Anhydrase II Inhibitor RA2 | 分子名称: | 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide, CITRIC ACID, Carbonic anhydrase 2, ... | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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7ARR
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![BU of 7arr by Molmil](/molmil-images/mine/7arr) | The de novo designed hybrid alpha/beta-miniprotein | 分子名称: | CHLORIDE ION, MAGNESIUM ION, alpha/beta-peptide, ... | 著者 | Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L. | 登録日 | 2020-10-26 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | A computationally designed beta-amino acid-containing miniprotein. Chem.Commun.(Camb.), 57, 2021
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8HJB
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5NXO
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![BU of 5nxo by Molmil](/molmil-images/mine/5nxo) | Carbonic Anhydrase II Inhibitor RA6 | 分子名称: | 4-[(4-nitrophenyl)methyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXV
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![BU of 5nxv by Molmil](/molmil-images/mine/5nxv) | Carbonic Anhydrase II Inhibitor RA8 | 分子名称: | 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NY3
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![BU of 5ny3 by Molmil](/molmil-images/mine/5ny3) | Carbonic Anhydrase II Inhibitor RA11 | 分子名称: | 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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8H98
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![BU of 8h98 by Molmil](/molmil-images/mine/8h98) | Crystal structure of chemically modified E. coli ThrS catalytic domain 1 | 分子名称: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | 著者 | Qiao, H, Xia, M, Wang, J, Fang, P. | 登録日 | 2022-10-25 | 公開日 | 2023-02-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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8H9B
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![BU of 8h9b by Molmil](/molmil-images/mine/8h9b) | Crystal structure of chemically modified E. coli ThrS catalytic domain 3 | 分子名称: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | 著者 | Qiao, H, Xia, M, Wang, J, Fang, P. | 登録日 | 2022-10-25 | 公開日 | 2023-02-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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