5M5O
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![BU of 5m5o by Molmil](/molmil-images/mine/5m5o) | Pseudo-atomic model of microtubule-bound S.pombe kinesin-5 motor domain in the AMPPNP state (based on cryo-electron microscopy experiment): the N-terminus adopts multiple conformations. | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein cut7, ... | 著者 | Goulet, A, Moores, C.A, Cross, R.A. | 登録日 | 2016-10-22 | 公開日 | 2016-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (9.3 Å) | 主引用文献 | Schizosaccharomyces pombe kinesin-5 switches direction using a steric blocking mechanism. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8PTQ
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![BU of 8ptq by Molmil](/molmil-images/mine/8ptq) | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5l | 分子名称: | 1,2-ETHANEDIOL, Monoglyceride lipase, methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate | 著者 | Butini, S, Grether, U, Benz, J, Leibrock, L, Maramai, S, Papa, A, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | 登録日 | 2023-07-14 | 公開日 | 2024-01-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization. J.Med.Chem., 67, 2024
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6Y05
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![BU of 6y05 by Molmil](/molmil-images/mine/6y05) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with adenine and PKI (5-24) | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENINE, ... | 著者 | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | 登録日 | 2020-02-06 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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7QK7
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![BU of 7qk7 by Molmil](/molmil-images/mine/7qk7) | Crystal structure of the APO form of ALDH1A3 | 分子名称: | Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, GLYCEROL | 著者 | Castellvi, A, Farres, J. | 登録日 | 2021-12-17 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.289 Å) | 主引用文献 | Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3. Commun Biol, 5, 2022
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7AN1
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![BU of 7an1 by Molmil](/molmil-images/mine/7an1) | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20) | 分子名称: | Arylsulfatase, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | 登録日 | 2020-10-10 | 公開日 | 2021-10-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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7QCS
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![BU of 7qcs by Molmil](/molmil-images/mine/7qcs) | PALS1/MPP5 PDZ domain in complex with SARS-CoV-2_E PBM peptide | 分子名称: | Envelope small membrane protein, Protein PALS1 | 著者 | Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C. | 登録日 | 2021-11-25 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | 主引用文献 | Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins. Front Microbiol, 13, 2022
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7QQL
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![BU of 7qql by Molmil](/molmil-images/mine/7qql) | The PDZ domain of SNTG2 complexed with the phosphorylated PDZ-binding motif of RSK1 | 分子名称: | CALCIUM ION, GLYCEROL, Gamma-2-syntrophin,Annexin A2, ... | 著者 | Cousido-Siah, A, Trave, G, Gogl, G. | 登録日 | 2022-01-10 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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7ANB
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![BU of 7anb by Molmil](/molmil-images/mine/7anb) | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20) | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ... | 著者 | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | 登録日 | 2020-10-11 | 公開日 | 2021-10-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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8FF8
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7QK8
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![BU of 7qk8 by Molmil](/molmil-images/mine/7qk8) | Crystal structure of the ALDH1A3-NAD+ complex | 分子名称: | Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Castellvi, A, Farres, J. | 登録日 | 2021-12-17 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.893 Å) | 主引用文献 | Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3. Commun Biol, 5, 2022
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7OE2
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![BU of 7oe2 by Molmil](/molmil-images/mine/7oe2) | Model of closed pentamer of the Haliangium ochraceum encapsulin from symmetry expansion of icosahedral single particle reconstruction | 分子名称: | Haliangium ochraceum Encapsulated ferritin localisation sequence, Linocin_M18 bacteriocin protein | 著者 | Marles-Wright, J, Basle, A, Clarke, D.J, Ross, J. | 登録日 | 2021-05-01 | 公開日 | 2022-02-09 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Pore dynamics and asymmetric cargo loading in an encapsulin nanocompartment. Sci Adv, 8, 2022
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6T0L
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![BU of 6t0l by Molmil](/molmil-images/mine/6t0l) | Crystal structure of CYP124 in complex with inhibitor compound 5' | 分子名称: | CHLORIDE ION, CYP124 in complex with inhibitor compound 5', DI(HYDROXYETHYL)ETHER, ... | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | 登録日 | 2019-10-03 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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7QQM
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![BU of 7qqm by Molmil](/molmil-images/mine/7qqm) | The PDZ domain of LRRC7 fused with ANXA2 | 分子名称: | CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2 | 著者 | Cousido-Siah, A, Trave, G, Gogl, G. | 登録日 | 2022-01-10 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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6YEK
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![BU of 6yek by Molmil](/molmil-images/mine/6yek) | Crystal structure of human NEMO apo form | 分子名称: | Inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase gamma, isoform CRA_b | 著者 | Garcia-Pardo, J, Akutsu, M, Busse, P, Skenderovic, A, Maculins, T, Dikic, I. | 登録日 | 2020-03-25 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Discovery of Protein-Protein Interaction Inhibitors by Integrating Protein Engineering and Chemical Screening Platforms. Cell Chem Biol, 27, 2020
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7QQN
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![BU of 7qqn by Molmil](/molmil-images/mine/7qqn) | The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of TRPV3 | 分子名称: | CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ... | 著者 | Cousido-Siah, A, Trave, G, Gogl, G. | 登録日 | 2022-01-10 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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5MAD
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![BU of 5mad by Molmil](/molmil-images/mine/5mad) | GFP-binding DARPin 3G61 | 分子名称: | 3G61, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ... | 著者 | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | 登録日 | 2016-11-03 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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7QK9
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![BU of 7qk9 by Molmil](/molmil-images/mine/7qk9) | Crystal structure of the ALDH1A3-ATP complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, ... | 著者 | Castellvi, A, Farres, J. | 登録日 | 2021-12-17 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.782 Å) | 主引用文献 | Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3. Commun Biol, 5, 2022
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7QIL
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7B1X
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![BU of 7b1x by Molmil](/molmil-images/mine/7b1x) | Crystal structure of cold-active esterase PMGL3 from permafrost metagenomic library | 分子名称: | esterase PMGL3 | 著者 | Boyko, K.M, Nikolaeva, A.Y, Petrovskaya, L.E, Kryukova, M.V, Kryukova, E.A, Korzhenevsky, D.A, Lomakina, G.Y, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | 登録日 | 2020-11-25 | 公開日 | 2021-11-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and Biochemical Characterization of a Cold-Active PMGL3 Esterase with Unusual Oligomeric Structure. Biomolecules, 11, 2021
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8UJW
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![BU of 8ujw by Molmil](/molmil-images/mine/8ujw) | |
5MEH
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![BU of 5meh by Molmil](/molmil-images/mine/5meh) | |
8PTC
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![BU of 8ptc by Molmil](/molmil-images/mine/8ptc) | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5d | 分子名称: | 1,2-ETHANEDIOL, 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde, Monoglyceride lipase | 著者 | Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | 登録日 | 2023-07-14 | 公開日 | 2024-01-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization. J.Med.Chem., 67, 2024
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5MFH
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![BU of 5mfh by Molmil](/molmil-images/mine/5mfh) | Designed armadillo repeat protein YIIIM5AII in complex with peptide (RR)5 | 分子名称: | (RR)5, CALCIUM ION, YIIIM5AII | 著者 | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | 登録日 | 2016-11-18 | 公開日 | 2017-09-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Curvature of designed armadillo repeat proteins allows modular peptide binding. J. Struct. Biol., 201, 2018
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6PJE
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![BU of 6pje by Molmil](/molmil-images/mine/6pje) | HIV-1 Protease NL4-3 WT in Complex with LR2-43 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2019-06-28 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.922 Å) | 主引用文献 | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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6PJO
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![BU of 6pjo by Molmil](/molmil-images/mine/6pjo) | HIV-1 Protease NL4-3 WT in Complex with LR2-42 | 分子名称: | Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2019-06-28 | 公開日 | 2020-07-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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