8QXA
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![BU of 8qxa by Molmil](/molmil-images/mine/8qxa) | TDP-43 amyloid fibrils: Morphology-1b | 分子名称: | TAR DNA-binding protein 43 | 著者 | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | 登録日 | 2023-10-24 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (4.05 Å) | 主引用文献 | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils. Nat Commun, 15, 2024
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8QJS
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![BU of 8qjs by Molmil](/molmil-images/mine/8qjs) | VHL/Elongin B/Elongin C complex with compound 155 | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | 登録日 | 2023-09-13 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.191 Å) | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QYF
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8R37
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![BU of 8r37 by Molmil](/molmil-images/mine/8r37) | Klebsiella pneumoniae fosfomycin-resistance protein (FosAKP) | 分子名称: | FOSFOMYCIN, FosA family fosfomycin resistance glutathione transferase, L(+)-TARTARIC ACID, ... | 著者 | Papageorgiou, A.C, Varotsou, C, Labrou, N.E. | 登録日 | 2023-11-08 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Structural Studies of Klebsiella pneumoniae Fosfomycin-Resistance Protein and Its Application for the Development of an Optical Biosensor for Fosfomycin Determination. Int J Mol Sci, 25, 2023
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8RNX
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![BU of 8rnx by Molmil](/molmil-images/mine/8rnx) | Hen Egg White Lysozyme soaked with [HIsq][trans-RuCl4(DMSO)(Isq)] | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | 著者 | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | 登録日 | 2024-01-11 | 公開日 | 2024-01-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies. Front Chem, 12, 2024
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7AKZ
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![BU of 7akz by Molmil](/molmil-images/mine/7akz) | Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa | 分子名称: | Outer membrane protein OprM, PALMITIC ACID, octyl beta-D-glucopyranoside | 著者 | Ntsogo Enguene, V.Y, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I. | 登録日 | 2020-10-02 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa To Be Published
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8RNV
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![BU of 8rnv by Molmil](/molmil-images/mine/8rnv) | Hen Egg White Lysozyme soaked with cis-Ru(DMSO)4Cl2 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | 登録日 | 2024-01-11 | 公開日 | 2024-01-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies. Front Chem, 12, 2024
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7AL7
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![BU of 7al7 by Molmil](/molmil-images/mine/7al7) | The Crystal Structure of Human IL-18 in Complex With Human IL-18 Binding Protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutathione S-transferase class-mu 26 kDa isozyme,Interleukin-18, Interleukin-18-binding protein | 著者 | Detry, S, Andries, J, Bloch, Y, Clancy, D, Savvides, S.N. | 登録日 | 2020-10-05 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Structural basis of human IL-18 sequestration by the decoy receptor IL-18 binding protein in inflammation and tumor immunity. J.Biol.Chem., 298, 2022
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8QTK
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![BU of 8qtk by Molmil](/molmil-images/mine/8qtk) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | 分子名称: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-10-12 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.873 Å) | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QN3
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![BU of 8qn3 by Molmil](/molmil-images/mine/8qn3) | OPR3 wildtype in complex with NADH4 | 分子名称: | 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ... | 著者 | Bijelic, A, Macheroux, P, Keschbaumer, B. | 登録日 | 2023-09-25 | 公開日 | 2024-01-17 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Loop 6 and the beta-hairpin flap are structural hotspots that determine cofactor specificity in the FMN-dependent family of ene-reductases. Febs J., 291, 2024
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8QVO
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![BU of 8qvo by Molmil](/molmil-images/mine/8qvo) | L211Q, L254N, T262G mutant of carboxypeptidase T from Thermoactinomyces vulgaris | 分子名称: | CALCIUM ION, Carboxypeptidase T, SULFATE ION, ... | 著者 | Timofeev, V.I, Dorovatovskii, P.V, Lazarenko, V.A, Akparov, V.K, Kuranova, I.P. | 登録日 | 2023-10-18 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | L211Q, L254N, T262G mutant of carboxypeptidase T from Thermoactinomyces vulgaris To Be Published
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8QWZ
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![BU of 8qwz by Molmil](/molmil-images/mine/8qwz) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid | 分子名称: | 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | 著者 | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-10-20 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid To Be Published
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1AB9
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![BU of 1ab9 by Molmil](/molmil-images/mine/1ab9) | CRYSTAL STRUCTURE OF BOVINE GAMMA-CHYMOTRYPSIN | 分子名称: | GAMMA-CHYMOTRYPSIN, PENTAPEPTIDE (TPGVY), SULFATE ION | 著者 | Sugio, S, Kashima, A, Inoue, Y, Maeda, I, Nose, T, Shimohigashi, Y. | 登録日 | 1997-02-05 | 公開日 | 1997-08-20 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray crystal structure of a dipeptide-chymotrypsin complex in an inhibitory interaction. Eur.J.Biochem., 255, 1998
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1A05
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![BU of 1a05 by Molmil](/molmil-images/mine/1a05) | CRYSTAL STRUCTURE OF THE COMPLEX OF 3-ISOPROPYLMALATE DEHYDROGENASE FROM THIOBACILLUS FERROOXIDANS WITH 3-ISOPROPYLMALATE | 分子名称: | 3-ISOPROPYLMALATE DEHYDROGENASE, 3-ISOPROPYLMALIC ACID, MAGNESIUM ION | 著者 | Imada, K, Inagaki, K, Matsunami, H, Kawaguchi, H, Tanaka, H, Tanaka, N, Namba, K. | 登録日 | 1997-12-09 | 公開日 | 1998-06-17 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of 3-isopropylmalate dehydrogenase in complex with 3-isopropylmalate at 2.0 A resolution: the role of Glu88 in the unique substrate-recognition mechanism. Structure, 6, 1998
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8QJT
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![BU of 8qjt by Molmil](/molmil-images/mine/8qjt) | BRM (SMARCA2) Bromodomain in complex with ligand 10 | 分子名称: | 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ... | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | 登録日 | 2023-09-13 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.568 Å) | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QNN
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![BU of 8qnn by Molmil](/molmil-images/mine/8qnn) | Crystal structure of a Class A beta-lactamase from Nocardia cyriacigeorgica | 分子名称: | Beta-lactamase, CITRATE ANION | 著者 | Feuillard, J, Couston, J, Benito, Y, Hodille, E, Dumitrescu, O, Blaise, M. | 登録日 | 2023-09-27 | 公開日 | 2024-01-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Biochemical and structural characterization of a class A beta-lactamase from Nocardia cyriacigeorgica. Acta Crystallogr.,Sect.F, 80, 2024
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8QVW
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![BU of 8qvw by Molmil](/molmil-images/mine/8qvw) | Cryo-EM structure of the peptide binding domain of human SRP68/72 | 分子名称: | Signal recognition particle subunit SRP68, Signal recognition particle subunit SRP72 | 著者 | Zhong, Y, Feng, J, Koh, A.F, Kotecha, A, Greber, B.J, Ataide, S.F. | 登録日 | 2023-10-18 | 公開日 | 2024-02-07 | 最終更新日 | 2024-08-21 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Cryo-EM structure of SRP68/72 reveals an extended dimerization domain with RNA-binding activity. Nucleic Acids Res., 52, 2024
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8R12
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![BU of 8r12 by Molmil](/molmil-images/mine/8r12) | Structure of compound 8 bound to SARS-CoV-2 main protease | 分子名称: | 2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile, 3C-like proteinase, CHLORIDE ION, ... | 著者 | Mac Sweeney, A, Hazemann, J. | 登録日 | 2023-11-01 | 公開日 | 2024-02-07 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.587 Å) | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. Rsc Med Chem, 15, 2024
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1A3F
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![BU of 1a3f by Molmil](/molmil-images/mine/1a3f) | PHOSPHOLIPASE A2 (PLA2) FROM NAJA NAJA VENOM | 分子名称: | PHOSPHOLIPASE A2 | 著者 | Segelke, B.W, Nguyen, D, Chee, R, Xuong, H.N, Dennis, E.A. | 登録日 | 1998-01-21 | 公開日 | 1998-04-29 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structures of two novel crystal forms of Naja naja naja phospholipase A2 lacking Ca2+ reveal trimeric packing. J.Mol.Biol., 279, 1998
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8QWY
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![BU of 8qwy by Molmil](/molmil-images/mine/8qwy) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid | 分子名称: | 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | 著者 | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-10-20 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid To Be Published
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8R7D
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8QX9
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![BU of 8qx9 by Molmil](/molmil-images/mine/8qx9) | TDP-43 amyloid fibrils: Morphology-1a | 分子名称: | TAR DNA-binding protein 43 | 著者 | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | 登録日 | 2023-10-24 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (3.76 Å) | 主引用文献 | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils. Nat Commun, 15, 2024
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1A2C
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![BU of 1a2c by Molmil](/molmil-images/mine/1a2c) | Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA | 分子名称: | Aeruginosin 298-A, Hirudin variant-2, SODIUM ION, ... | 著者 | Rios-Steiner, J.L, Murakami, M, Tulinsky, A. | 登録日 | 1997-12-26 | 公開日 | 1998-07-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of Thrombin Inhibited by Aeruginosin 298-A from a Blue-Green Alga J.Am.Chem.Soc., 120, 1998
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8QUA
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![BU of 8qua by Molmil](/molmil-images/mine/8qua) | GTP binding protein YsxC from Staphylococcus aureus | 分子名称: | ACETYL GROUP, GLYCEROL, Probable GTP-binding protein EngB | 著者 | Biktimirov, A, Islamov, D, Lazarenko, V, Fatkhullin, B, Validov, S, Yusupov, M, Usachev, K. | 登録日 | 2023-10-15 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of GTPase YsxC from Staphylococcus aureus. Biochem.Biophys.Res.Commun., 699, 2024
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5JIO
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![BU of 5jio by Molmil](/molmil-images/mine/5jio) | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase ternary complex with ADP and Glucose-6-phosphate. | 分子名称: | 1,2-ETHANEDIOL, 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | 登録日 | 2016-04-22 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.711 Å) | 主引用文献 | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. Mbio, 10, 2019
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