6KXX
| Human PPAR alpha ligand binding domain in complex with a synthetic agonist (compound A) | 分子名称: | 1-(4-chlorophenyl)-6-methyl-3-propan-2-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 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.95 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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6KO7
| Crystal structure of the Ethidium bound RamR determined with XtaLAB Synergy | 分子名称: | ETHIDIUM, Putative regulatory protein, SULFATE ION | 著者 | Matsumoto, T, Nakashima, R, Yamano, A, Nishino, K. | 登録日 | 2019-08-08 | 公開日 | 2019-10-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Development of a structure determination method using a multidrug-resistance regulator protein as a framework. Biochem.Biophys.Res.Commun., 518, 2019
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8DOK
| Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 and 10-1074 | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. | 登録日 | 2022-07-13 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir. Nat Commun, 14, 2023
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6QZQ
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6KSV
| Crystal structure of SurE with D-Leu | 分子名称: | Alpha/beta hydrolase, D-LEUCINE, S-(2-acetamidoethyl) (2R)-2-azanyl-4-methyl-pentanethioate, ... | 著者 | Zhai, R, Mori, T, Abe, I. | 登録日 | 2019-08-26 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Heterochiral coupling in non-ribosomal peptide macrolactamization Nat Catal, 2020
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6QMA
| Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in nanodisc (intermediate state) | 分子名称: | CALCIUM ION, Predicted protein | 著者 | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | 登録日 | 2019-02-01 | 公開日 | 2019-03-06 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM. Elife, 8, 2019
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4U8J
| Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y104A | 分子名称: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | 著者 | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | 登録日 | 2014-08-03 | 公開日 | 2014-12-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics. Biochemistry, 53, 2014
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6KR6
| Crystal structure of Drosophila Piwi | 分子名称: | MERCURY (II) ION, Protein piwi, ZINC ION, ... | 著者 | Yamaguchi, S, Oe, A, Yamashita, K, Hirano, S, Mastumoto, N, Ishitani, R, Nishimasu, H, Nureki, O. | 登録日 | 2019-08-21 | 公開日 | 2020-02-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of Drosophila Piwi. Nat Commun, 11, 2020
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6KSU
| Crystal structure of SurE | 分子名称: | Alpha/beta hydrolase, MALONATE ION, SULFATE ION, ... | 著者 | Zhai, R, Mori, T, Abe, I. | 登録日 | 2019-08-26 | 公開日 | 2020-06-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Heterochiral coupling in non-ribosomal peptide macrolactamization Nat Catal, 2020
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6KSD
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6QLN
| Galectin-3C in complex with fluoroaryl triazole monothiogalactoside derivative 2 | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | 著者 | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | 登録日 | 2019-02-01 | 公開日 | 2019-07-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
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6QLS
| Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 6 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | 著者 | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | 登録日 | 2019-02-01 | 公開日 | 2019-07-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.047 Å) | 主引用文献 | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
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6QM6
| Cryo-EM structure of calcium-free nhTMEM16 lipid scramblase in DDM | 分子名称: | Predicted protein | 著者 | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | 登録日 | 2019-02-01 | 公開日 | 2019-03-06 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM. Elife, 8, 2019
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6L9C
| Neutron structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 | 分子名称: | COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION | 著者 | Murakawa, T, Kurihara, K, Shoji, M, Shibazaki, C, Sunami, T, Tamada, T, Yano, N, Yamada, T, Kusaka, K, Suzuki, M, Shigeta, Y, Kuroki, R, Hayashi, H, Yano, Y, Tanizawa, K, Adachi, M, Okajima, T. | 登録日 | 2019-11-08 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-22 | 実験手法 | NEUTRON DIFFRACTION (1.14 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing. Proc.Natl.Acad.Sci.USA, 117, 2020
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6QP6
| Cryo-EM structure of calcium-bound mTMEM16F lipid scramblase in digitonin | 分子名称: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-6, CALCIUM ION | 著者 | Alvadia, C, Lim, N.K, Clerico Mosina, V, Oostergetel, G.T, Dutzler, R, Paulino, C. | 登録日 | 2019-02-13 | 公開日 | 2019-03-06 | 最終更新日 | 2019-04-03 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structures and functional characterization of the murine lipid scramblase TMEM16F. Elife, 8, 2019
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6L15
| Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | 分子名称: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1 | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | 登録日 | 2019-09-27 | 公開日 | 2020-05-27 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6QP2
| Crystal structure of the PLP-bound C-S lyase from Staphylococcus hominis | 分子名称: | Aminotransferase, PYRIDOXAL-5'-PHOSPHATE, Polyhistidine tag | 著者 | Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H. | 登録日 | 2019-02-13 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The molecular basis of thioalcohol production in human body odour. Sci Rep, 10, 2020
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6KRH
| Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | 分子名称: | ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ... | 著者 | Ramachandran, R, Shukla, A, Afsar, M. | 登録日 | 2019-08-21 | 公開日 | 2020-08-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity. Acta Crystallogr D Struct Biol, 77, 2021
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6KSC
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6KO9
| Crystal structure of the Gefitinib Intermediate 1 bound RamR determined with XtaLAB Synergy | 分子名称: | 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol, Putative regulatory protein, SULFATE ION | 著者 | Matsumoto, T, Nakashima, R, Yamano, A, Nishino, K. | 登録日 | 2019-08-08 | 公開日 | 2019-10-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Development of a structure determination method using a multidrug-resistance regulator protein as a framework. Biochem.Biophys.Res.Commun., 518, 2019
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6LJJ
| Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion | 分子名称: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1, ... | 著者 | Liang, R, Peng, G.Q. | 登録日 | 2019-12-16 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development. J.Biol.Chem., 296, 2020
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6KO8
| Crystal structure of the Cholic acid bound RamR determined with XtaLAB Synergy | 分子名称: | CHOLIC ACID, Putative regulatory protein, SULFATE ION | 著者 | Matsumoto, T, Nakashima, R, Yamano, A, Nishino, K. | 登録日 | 2019-08-08 | 公開日 | 2019-10-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Development of a structure determination method using a multidrug-resistance regulator protein as a framework. Biochem.Biophys.Res.Commun., 518, 2019
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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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6L12
| Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | 分子名称: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine, Serine/threonine-protein kinase pim-1 | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | 登録日 | 2019-09-27 | 公開日 | 2020-05-27 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6KYE
| The crystal structure of recombinant human adult hemoglobin | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Kihira, K, Funaki, R, Okamoto, W, Endo, C, Morita, Y, Komatsu, T. | 登録日 | 2019-09-18 | 公開日 | 2020-01-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Genetically engineered haemoglobin wrapped covalently with human serum albumins as an artificial O2carrier. J Mater Chem B, 8, 2020
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