6GO9
| Structure of GFPmut2 crystallized at pH 6 and transferred to pH 7 | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Green fluorescent protein | 著者 | Lolli, G, Raboni, S, Pasqualetto, E, Campanini, B, Mozzarelli, A, Bettati, S, Battistutta, R. | 登録日 | 2018-06-01 | 公開日 | 2018-12-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.672 Å) | 主引用文献 | Insight into GFPmut2 pH Dependence by Single Crystal Microspectrophotometry and X-ray Crystallography. J.Phys.Chem.B, 122, 2018
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6GO8
| Structure of GFPmut2 crystallized at pH 6 | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Green fluorescent protein | 著者 | Lolli, G, Raboni, S, Pasqualetto, E, Campanini, B, Mozzarelli, A, Bettati, S, Battistutta, R. | 登録日 | 2018-06-01 | 公開日 | 2018-12-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.648 Å) | 主引用文献 | Insight into GFPmut2 pH Dependence by Single Crystal Microspectrophotometry and X-ray Crystallography. J.Phys.Chem.B, 122, 2018
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6GRM
| Structure of GFPmut2 crystallized at pH 6 and transferred to pH 9 | 分子名称: | Green fluorescent protein | 著者 | Lolli, G, Raboni, S, Pasqualetto, E, Campanini, B, Mozzarelli, A, Bettati, S, Battistutta, R. | 登録日 | 2018-06-11 | 公開日 | 2018-12-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Insight into GFPmut2 pH Dependence by Single Crystal Microspectrophotometry and X-ray Crystallography. J.Phys.Chem.B, 122, 2018
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8KG5
| Prefusion RSV F Bound to Lonafarnib and D25 Fab | 分子名称: | 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, D25 heavy chain, D25 light chain, ... | 著者 | Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X. | 登録日 | 2023-08-17 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | 主引用文献 | Farnesyltransferase inhibitor lonafarnib suppresses respiratory syncytial virus infection by blocking conformational change of fusion glycoprotein. Signal Transduct Target Ther, 9, 2024
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7A1Z
| Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine | 分子名称: | 1,2-ETHANEDIOL, 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ... | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | 登録日 | 2020-08-14 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.024 Å) | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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6GIJ
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6OQ5
| Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs | 分子名称: | 5D, 7F, E3, ... | 著者 | Chen, P, Lam, K, Jin, R. | 登録日 | 2019-04-25 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.87 Å) | 主引用文献 | Structure of the full-length Clostridium difficile toxin B. Nat.Struct.Mol.Biol., 26, 2019
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6OQ7
| Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3 | 分子名称: | E3, MAGNESIUM ION, MANGANESE (II) ION, ... | 著者 | Chen, P, Lam, K, Jin, R. | 登録日 | 2019-04-25 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structure of the full-length Clostridium difficile toxin B. Nat.Struct.Mol.Biol., 26, 2019
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8U2E
| Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide | 分子名称: | (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Gajewski, S, Clifton, M.C. | 登録日 | 2023-09-05 | 公開日 | 2024-01-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies. J.Med.Chem., 67, 2024
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8BDZ
| Hepatitis B virus core antigen (HBc) with the insertion of four external domains of the influenza A M2 protein (HBc/4M2e) with T=4 topology | 分子名称: | Core protein,Matrix protein 2,External core antigen | 著者 | Egorov, V.V, Shvetsov, A.V, Pichkur, E.B, Shaldzhyan, A.A, Zabrodskaya, Y.A, Vinogradova, D.S, Nekrasov, P.A, Gorshkov, A.N, Garmay, Y.P, Kovaleva, A.A, Stepanova, L.A, Tsybalova, L.M, Shtam, T.A, Myasnikov, A.G, Konevega, A.L. | 登録日 | 2022-10-20 | 公開日 | 2022-12-28 | 実験手法 | ELECTRON MICROSCOPY (3.13 Å) | 主引用文献 | Inside and outside of virus-like particles HBc and HBc/4M2e: A comprehensive study of the structure. Biophys.Chem., 293, 2022
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8B69
| Heterotetramer of K-Ras4B(G12V) and Rgl2(RBD) | 分子名称: | Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Tariq, M, Fairall, L, Romartinez-Alonso, B, Dominguez, C, Schwabe, J.W.R, Tanaka, K. | 登録日 | 2022-09-26 | 公開日 | 2023-08-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | 主引用文献 | Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator. Life Sci Alliance, 7, 2024
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5LGU
| Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34 | 分子名称: | 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | 著者 | Mattevi, A, Ciossani, G. | 登録日 | 2016-07-08 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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7SSC
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7R59
| PARP2 catalytic domain in complex with OUL245 | 分子名称: | GLYCEROL, Poly [ADP-ribose] polymerase 2, [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol | 著者 | Galera-Prat, A, Maksimainen, M.M, Lehtio, L. | 登録日 | 2022-02-10 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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7R5X
| Tankyrase 2 in complex with an inhibitor (OUL211) | 分子名称: | 7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2022-02-11 | 公開日 | 2023-02-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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6OQ6
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8BN0
| Bacteroides thetaiotaomicron surface protein BT1954 bound to | 分子名称: | CHLORIDE ION, COB(II)INAMIDE, CYANIDE ION, ... | 著者 | Abellon-Ruiz, J, Jana, K, Silale, A, Basle, A, Kleinekathofer, U, van den Berg, B. | 登録日 | 2022-11-11 | 公開日 | 2023-08-16 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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5LGN
| Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | 著者 | Mattevi, A, Ciossani, G. | 登録日 | 2016-07-07 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration. J. Med. Chem., 60, 2017
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6PNW
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5LGT
| Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15 | 分子名称: | 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | 著者 | Mattevi, A, Ciossani, G. | 登録日 | 2016-07-08 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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6MGO
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8P98
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6KXY
| Human PPAR alpha ligand binding domain in complex with a synthetic agonist (compound B) | 分子名称: | 6-ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PGC1alpha, Peroxisome proliferator-activated receptor alpha | 著者 | Yoshida, T, Tachibana, K, Oki, H, Doi, M, Fukuda, S, Yuzuriha, T, Tabata, R, Ishimoto, K, Kawahara, K, Ohkubo, T, Miyachi, H, Doi, T. | 登録日 | 2019-09-14 | 公開日 | 2020-05-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Basis for PPAR alpha Activation by 1H-pyrazolo-[3,4-b]pyridine Derivatives. Sci Rep, 10, 2020
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5F5Y
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6BGW
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41) | 分子名称: | 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2017-10-29 | 公開日 | 2018-03-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.644 Å) | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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