8QNI
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8QNG
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8QNH
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![BU of 8qnh by Molmil](/molmil-images/mine/8qnh) | Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | 分子名称: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-09-26 | 公開日 | 2023-11-22 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity. Acs Med.Chem.Lett., 14, 2023
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8R5J
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![BU of 8r5j by Molmil](/molmil-images/mine/8r5j) | Crystal structure of MERS-CoV main protease | 分子名称: | Non-structural protein 11 | 著者 | Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-11-16 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | Crystal structure of MERS-CoV main protease To Be Published
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8QN5
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![BU of 8qn5 by Molmil](/molmil-images/mine/8qn5) | M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form) | 分子名称: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, AMMONIUM ION, CITRATE ANION, ... | 著者 | Mori, M, Villa, S, Meneghetti, M, Bellinzoni, M. | 登録日 | 2023-09-25 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.544 Å) | 主引用文献 | Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery. Pharmaceuticals, 16, 2023
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5JLV
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![BU of 5jlv by Molmil](/molmil-images/mine/5jlv) | Receptor binding domain of Botulinum neurotoxin A in complex with human glycosylated SV2C | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | 著者 | Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R. | 登録日 | 2016-04-27 | 公開日 | 2016-06-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A. Nat.Struct.Mol.Biol., 23, 2016
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5J7M
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![BU of 5j7m by Molmil](/molmil-images/mine/5j7m) | Crystal structure of Cupin 2 conserved barrel domain protein from Kribbella flavida DSM 17836 | 分子名称: | ACETATE ION, Cupin 2 conserved barrel domain protein, DI(HYDROXYETHYL)ETHER, ... | 著者 | Chang, C, Cuff, M, Chhor, G, Endres, M, Joachimiak, A. | 登録日 | 2016-04-06 | 公開日 | 2016-04-27 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Crystal structure of Cupin 2 conserved barrel domain protein from Kribbella flavida DSM 17836 To Be Published
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5JFG
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![BU of 5jfg by Molmil](/molmil-images/mine/5jfg) | Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, DNA repair and recombination protein RadA, ... | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-04-19 | 公開日 | 2016-10-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Humanisation of RadA from Pyrococcus furiosus To Be Published
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8QTG
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![BU of 8qtg by Molmil](/molmil-images/mine/8qtg) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) | 分子名称: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-10-12 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.419 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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8QTH
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![BU of 8qth by Molmil](/molmil-images/mine/8qth) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | 分子名称: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-10-12 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.198 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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8QTJ
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![BU of 8qtj by Molmil](/molmil-images/mine/8qtj) | Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30) | 分子名称: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-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 | 2024-01-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.523 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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8QXB
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![BU of 8qxb by Molmil](/molmil-images/mine/8qxb) | TDP-43 amyloid fibrils: Morphology-2 | 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 (3.86 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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8RNW
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![BU of 8rnw by Molmil](/molmil-images/mine/8rnw) | Hen Egg White Lysozyme soaked with trans-Ru(DMSO)4Cl2 | 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 (1.12 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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8R1A
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![BU of 8r1a by Molmil](/molmil-images/mine/8r1a) | Model of the membrane-bound GBP1 oligomer | 分子名称: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate binding protein 1, ... | 著者 | Weismehl, M, Chu, X, Kutsch, M, Lauterjung, P, Herrmann, C, Kudryashev, M, Daumke, O. | 登録日 | 2023-11-01 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (26.799999 Å) | 主引用文献 | Structural insights into the activation mechanism of antimicrobial GBP1. Embo J., 43, 2024
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7BWM
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8RNY
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![BU of 8rny by Molmil](/molmil-images/mine/8rny) | Hen Egg White Lysozyme soaked with with [H2Ind][trans-RuCl4(DMSO)(HInd)] | 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 | 2024-02-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.02 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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5XLV
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![BU of 5xlv by Molmil](/molmil-images/mine/5xlv) | Mycobacterium tuberculosis Pantothenate kinase mutant F254A | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Pantothenate kinase, ... | 著者 | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | 登録日 | 2017-05-11 | 公開日 | 2018-05-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase Acta Crystallogr F Struct Biol Commun, 73, 2017
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5I13
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![BU of 5i13 by Molmil](/molmil-images/mine/5i13) | Endonuclease inhibitor 2 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0 | 分子名称: | 4-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol, MANGANESE (II) ION, Polymerase acidic protein, ... | 著者 | Fudo, S, Yamamoto, N, Nukaga, M, Odagiri, T, Tashiro, M, Hoshino, T. | 登録日 | 2016-02-05 | 公開日 | 2016-02-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | 主引用文献 | Two Distinctive Binding Modes of Endonuclease Inhibitors to the N-Terminal Region of Influenza Virus Polymerase Acidic Subunit Biochemistry, 55, 2016
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5I05
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8R6T
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![BU of 8r6t by Molmil](/molmil-images/mine/8r6t) | NMR solution structure of thyropin IrThy-Cd from the hard tick Ixodes ricinus | 分子名称: | Putative two thyropin protein (Fragment) | 著者 | Srb, P, Veverka, V, Matouskova, Z, Orsaghova, K, Mares, M. | 登録日 | 2023-11-23 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-06 | 実験手法 | SOLUTION NMR | 主引用文献 | An Unusual Two-Domain Thyropin from Tick Saliva: NMR Solution Structure and Highly Selective Inhibition of Cysteine Cathepsins Modulated by Glycosaminoglycans. Int J Mol Sci, 25, 2024
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5XFE
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![BU of 5xfe by Molmil](/molmil-images/mine/5xfe) | Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | 著者 | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | 登録日 | 2017-04-10 | 公開日 | 2017-08-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography IUCrJ, 4, 2017
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4Y16
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![BU of 4y16 by Molmil](/molmil-images/mine/4y16) | Crystal structure of the mCD1d/NC-aGC/iNKTCR ternary complex | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Nemcovic, M. | 登録日 | 2015-02-06 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Lipid and Carbohydrate Modifications of alpha-Galactosylceramide Differently Influence Mouse and Human Type I Natural Killer T Cell Activation. J.Biol.Chem., 290, 2015
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1B0B
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![BU of 1b0b by Molmil](/molmil-images/mine/1b0b) | HEMOGLOBIN I FROM THE CLAM LUCINA PECTINATA, CYANIDE COMPLEX AT 100 KELVIN | 分子名称: | CYANIDE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Rosano, C, Rizzi, M, Ascenzi, P, Bolognesi, M. | 登録日 | 1998-11-06 | 公開日 | 2000-02-18 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Cyanide binding to Lucina pectinata hemoglobin I and to sperm whale myoglobin: an x-ray crystallographic study. Biophys.J., 77, 1999
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1BYX
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![BU of 1byx by Molmil](/molmil-images/mine/1byx) | CHIMERIC HYBRID DUPLEX R(GCAGUGGC).R(GCCA)D(CTGC) COMPRISING THE TRNA-DNA JUNCTION FORMED DURING INITIATION OF HIV-1 REVERSE TRANSCRIPTION | 分子名称: | DNA/RNA (5'-R(*GP*CP*CP*A)-D(P*CP*TP*GP*C)-3'), RNA (5'-R(*GP*CP*AP*GP*UP*GP*GP*C)-3') | 著者 | Szyperski, T, Goette, M, Billeter, M, Perola, E, Cellai, L. | 登録日 | 1998-10-20 | 公開日 | 1999-10-20 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of the chimeric hybrid duplex r(gcaguggc).r(gcca)d(CTGC) comprising the tRNA-DNA junction formed during initiation of HIV-1 reverse transcription. J.Biomol.NMR, 13, 1999
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1BZV
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![BU of 1bzv by Molmil](/molmil-images/mine/1bzv) | [D-ALAB26]-DES(B27-B30)-INSULIN-B26-AMIDE A SUPERPOTENT SINGLE-REPLACEMENT INSULIN ANALOGUE, NMR, MINIMIZED AVERAGE STRUCTURE | 分子名称: | INSULIN | 著者 | Kurapkat, G, Siedentopf, M, Gattner, H.G, Hagelstein, M, Brandenburg, D, Grotzinger, J, Wollmer, A. | 登録日 | 1998-11-04 | 公開日 | 1999-05-18 | 最終更新日 | 2017-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structure of a superpotent B-chain-shortened single-replacement insulin analogue. Protein Sci., 8, 1999
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