5IE1
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![BU of 5ie1 by Molmil](/molmil-images/mine/5ie1) | Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | 分子名称: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | 著者 | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | 登録日 | 2016-02-24 | 公開日 | 2016-03-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.298 Å) | 主引用文献 | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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8GHB
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![BU of 8ghb by Molmil](/molmil-images/mine/8ghb) | The structure of h12-LOX in monomeric form | 分子名称: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12 | 著者 | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | 登録日 | 2023-03-09 | 公開日 | 2023-08-09 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | 主引用文献 | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors. Blood, 142, 2023
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6QWW
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![BU of 6qww by Molmil](/molmil-images/mine/6qww) | HEWL lysozyme, crystallized from CuCl2 solution | 分子名称: | CHLORIDE ION, COPPER (II) ION, Lysozyme C | 著者 | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | 登録日 | 2019-03-06 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | HEWL lysozyme, crystallized from different chlorides To Be Published
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6U9R
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![BU of 6u9r by Molmil](/molmil-images/mine/6u9r) | MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140) | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2019-09-09 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6QWY
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![BU of 6qwy by Molmil](/molmil-images/mine/6qwy) | HEWL lysozyme, crystallized from NaCl solution | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | 登録日 | 2019-03-06 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | HEWL lysozyme, crystallized from different chlorides To Be Published
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8B7P
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![BU of 8b7p by Molmil](/molmil-images/mine/8b7p) | Crystal structure of an AA9 LPMO from Aspergillus nidulans, AnLPMOC | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Endo-beta-1,4-glucanase D | 著者 | Males, A, Rafael Fanchini Terrasan, C, Davies, G.J, Walton, P.H. | 登録日 | 2022-09-30 | 公開日 | 2023-10-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Characterisation of lytic polysaccharide monooxygenases from Aspergillus nidulans To Be Published
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5IIV
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![BU of 5iiv by Molmil](/molmil-images/mine/5iiv) | GCN4p pH 1.5 | 分子名称: | General control protein GCN4 | 著者 | Brady, M.R, Kaplan, A.R, Alexandrescu, A.T. | 登録日 | 2016-03-01 | 公開日 | 2017-03-15 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Nuclear Magnetic Resonance Structures of GCN4p Are Largely Conserved When Ion Pairs Are Disrupted at Acidic pH but Show a Relaxation of the Coiled Coil Superhelix. Biochemistry, 56, 2017
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6EOX
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![BU of 6eox by Molmil](/molmil-images/mine/6eox) | Crystal structure of MMP12 in complex with carboxylic inhibitor LP165. | 分子名称: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-10-10 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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6WXI
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![BU of 6wxi by Molmil](/molmil-images/mine/6wxi) | Colicin E1 fragment in nanodisc-embedded TolC | 分子名称: | Outer membrane protein TolC | 著者 | Kaelber, J.T, Budiardjo, S.J, Firlar, E, Ikujuni, A.P, Slusky, J.S.G. | 登録日 | 2020-05-10 | 公開日 | 2021-05-12 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | 主引用文献 | Colicin E1 opens its hinge to plug TolC. Elife, 11, 2022
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6ZXQ
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![BU of 6zxq by Molmil](/molmil-images/mine/6zxq) | Adenylosuccinate Synthetase from H. pylori in complex with HDA, GDP, IMO, Mg | 分子名称: | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE, Adenylosuccinate synthetase, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Bubic, A, Stefanic, Z. | 登録日 | 2020-07-30 | 公開日 | 2021-08-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The pursuit of new alternative ways to eradicate Helicobacter pylori continues: Detailed characterization of interactions in the adenylosuccinate synthetase active site Int.J.Biol.Macromol., 2023
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6EIY
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![BU of 6eiy by Molmil](/molmil-images/mine/6eiy) | Crystal structure of KDM5B in complex with KDOPZ000034a. | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal structure of KDM5B in complex with KDOPZ000034a. to be published
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7P8O
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![BU of 7p8o by Molmil](/molmil-images/mine/7p8o) | Crystal structure of D-aminoacid transaminase from Haliscomenobacter hydrossis in its intermediate form | 分子名称: | Aminotransferase class IV, MAGNESIUM ION, SULFATE ION | 著者 | Matyuta, I.O, Boyko, K.M, Bakunova, A.K, Nikolaeva, A.Y, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O. | 登録日 | 2021-07-23 | 公開日 | 2022-08-03 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of D-aminoacid transaminase from Haliscomenobacter hydrossis in its apo form To Be Published
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6QUS
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![BU of 6qus by Molmil](/molmil-images/mine/6qus) | HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule | 分子名称: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | 登録日 | 2019-02-28 | 公開日 | 2019-11-27 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structural determinants of microtubule minus end preference in CAMSAP CKK domains. Nat Commun, 10, 2019
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6QWM
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![BU of 6qwm by Molmil](/molmil-images/mine/6qwm) | The Transcriptional Regulator PrfA-A218G mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif | 分子名称: | DNA (30-MER), GLYCEROL, Listeriolysin positive regulatory factor A | 著者 | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | 登録日 | 2019-03-05 | 公開日 | 2020-04-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes. J.Bacteriol., 202, 2020
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5I8D
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8GMB
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![BU of 8gmb by Molmil](/molmil-images/mine/8gmb) | Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible) | 分子名称: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, Tyrosine-protein kinase BTK | 著者 | Lin, D.Y, Andreotti, A.H. | 登録日 | 2023-03-24 | 公開日 | 2023-08-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife, 12, 2024
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6R0N
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![BU of 6r0n by Molmil](/molmil-images/mine/6r0n) | Histone fold domain of AtNF-YB2/NF-YC3 in I2 | 分子名称: | GLYCEROL, NF-YB2, NF-YC3 | 著者 | Chaves-Sanjuan, A, Gnesutta, N, Bernardini, A, Fornara, F, Nardini, M, Mantovani, R. | 登録日 | 2019-03-13 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J., 105, 2021
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4XBD
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![BU of 4xbd by Molmil](/molmil-images/mine/4xbd) | 1.45A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Orthorhombic P Form) | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | 登録日 | 2014-12-16 | 公開日 | 2015-03-25 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015
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6QY1
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![BU of 6qy1 by Molmil](/molmil-images/mine/6qy1) | Pink beam serial crystallography: Lysozyme, 5 us exposure, 1500 patterns merged | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | 著者 | Lieske, J, Tolstikova, A, Meents, A. | 登録日 | 2019-03-08 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
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6TZM
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![BU of 6tzm by Molmil](/molmil-images/mine/6tzm) | Crystal Structure of Fungal RNA Kinase | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, tRNA ligase | 著者 | Shuman, S, Goldgur, Y, Banerjee, A. | 登録日 | 2019-08-12 | 公開日 | 2019-11-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.714 Å) | 主引用文献 | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor. Nucleic Acids Res., 47, 2019
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6U7G
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![BU of 6u7g by Molmil](/molmil-images/mine/6u7g) | HCoV-229E RBD Class V in complex with human APN | 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, Aminopeptidase N, ... | 著者 | Tomlinson, A, Li, Z, Rini, J.M. | 登録日 | 2019-09-02 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | The human coronavirus HCoV-229E S-protein structure and receptor binding. Elife, 8, 2019
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6QZB
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![BU of 6qzb by Molmil](/molmil-images/mine/6qzb) | Structure of Mcl-1 in complex with compound 8d | 分子名称: | (2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 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 | 2019-03-11 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 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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7NQZ
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![BU of 7nqz by Molmil](/molmil-images/mine/7nqz) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1827898537 | 分子名称: | (3S)-N-benzylpyrrolidin-3-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | 著者 | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | 登録日 | 2021-03-02 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.319 Å) | 主引用文献 | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
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6WPY
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7NQR
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![BU of 7nqr by Molmil](/molmil-images/mine/7nqr) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z287256168 | 分子名称: | (S)-N-(1-cyclopropylethyl)-6-methylpicolinamide, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, AMP PHOSPHORAMIDATE, ... | 著者 | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | 登録日 | 2021-03-02 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
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