8ACD
 
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | | 分子名称: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
|
|
1ZUV
 | | 24 NMR structures of AcAMP2-Like Peptide with Phenylalanine 18 mutated to Tryptophan | | 分子名称: | AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 | | 著者 | Chavez, M.I, Andreu, C, Vidal, P, Freire, F, Aboitiz, N, Groves, P, Asensio, J.L, Asensio, G, Muraki, M, Canada, F.J, Jimenez-Barbero, J. | | 登録日 | 2005-06-01 | | 公開日 | 2005-12-06 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues
Chemistry, 11, 2005
|
|
7L0O
 | |
5GIZ
 | | Periplasmic heme-binding protein BhuT in apo form | | 分子名称: | CHLORIDE ION, Putative hemin transport system, substrate-binding protein, ... | | 著者 | Nakamura, N, Naoe, Y, Rahman, M.M, Shiro, Y, Sugimoto, H. | | 登録日 | 2016-06-26 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural basis for binding and transfer of heme in bacterial heme-acquisition systems.
Proteins, 85, 2017
|
|
8AA5
 | | Cryo-EM structure of the strand transfer complex of the TnsB transposase (type V-K CRISPR-associated transposon) | | 分子名称: | LE_PolyA, LE_Target, RE_PolyA, ... | | 著者 | Tenjo-Castano, F, Sofos, N, Lopez-Mendez, B, Stutzke, L.S, Fuglsang, A, Stella, S, Montoya, G. | | 登録日 | 2022-06-30 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.46 Å) | | 主引用文献 | Structure of the TnsB transposase-DNA complex of type V-K CRISPR-associated transposon.
Nat Commun, 13, 2022
|
|
5XXU
 | | Small subunit of Toxoplasma gondii ribosome | | 分子名称: | 18S RNA, Ribosomal protein eL41, Ribosomal protein eS1, ... | | 著者 | LI, Z, Guo, Q, Zheng, L, Ji, Y, Xie, Y, Lai, D, Lun, Z, Suo, X, Gao, N. | | 登録日 | 2017-07-05 | | 公開日 | 2017-08-30 | | 最終更新日 | 2018-10-24 | | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | | 主引用文献 | Cryo-EM structures of the 80S ribosomes from human parasites Trichomonas vaginalis and Toxoplasma gondii
Cell Res., 27, 2017
|
|
7F1I
 | | Designed enzyme RA61 M48K/I72D mutant: form II | | 分子名称: | Engineered Retroaldolase | | 著者 | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | 登録日 | 2021-06-09 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
|
|
6TM2
 | | Human MUC2 AAs 21-1397 | | 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, CALCIUM ION, ... | | 著者 | Javitt, G, Khmelnitsky, L, Albert, L, Elad, N, Ilani, T, Diskin, R, Fass, D. | | 登録日 | 2019-12-03 | | 公開日 | 2020-10-21 | | 最終更新日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | | 主引用文献 | Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Cell, 183, 2020
|
|
7F1H
 | | Designed enzyme RA61 M48K/I72D mutant: form I | | 分子名称: | Engineered Retroaldolase, FORMIC ACID, GLYCEROL | | 著者 | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | 登録日 | 2021-06-09 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
|
|
6TMX
 | | Structure of the chaperonin gp146 from the bacteriophage EL (Pseudomonas aeruginosa) in complex with ATPgammaS | | 分子名称: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, POTASSIUM ION, ... | | 著者 | Bracher, A, Wang, H, Paul, S.S, Wischnewski, N, Hartl, F.U, Hayer-Hartl, M. | | 登録日 | 2019-12-05 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (5.8 Å) | | 主引用文献 | Structure and conformational cycle of a bacteriophage-encoded chaperonin.
Plos One, 15, 2020
|
|
5GLM
 | | Crystal structure of CoXyl43, GH43 beta-xylosidase/alpha-arabinofuranosidase from a compost microbial metagenome in complex with xylotriose, calcium-free form. | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Glycoside hydrolase family 43, ... | | 著者 | Matsuzawa, T, Kishine, N, Fujimoto, Z, Yaoi, K. | | 登録日 | 2016-07-12 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium.
J. Biochem., 162, 2017
|
|
6TMP
 | | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | | 分子名称: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | | 登録日 | 2019-12-05 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.076 Å) | | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
|
|
6TMU
 | | Crystal structure of the chaperonin gp146 from the bacteriophage EL 2 (Pseudomonas aeruginosa) in presence of ATP-BeFx, crystal form II | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Bracher, A, Paul, S.S, Wang, H, Wischnewski, N, Hartl, F.U, Hayer-Hartl, M. | | 登録日 | 2019-12-05 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.54 Å) | | 主引用文献 | Structure and conformational cycle of a bacteriophage-encoded chaperonin.
Plos One, 15, 2020
|
|
5Y5I
 | | Time-resolved SFX structure of cytochrome P450nor: 20 ms after photo-irradiation of caged NO in the presence of NADH (NO-bound state), light data | | 分子名称: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | | 著者 | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | | 登録日 | 2017-08-09 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
|
|
7F1J
 | | Designed enzyme RA61 M48K/I72D mutant: form III | | 分子名称: | Engineered Retroaldolase | | 著者 | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | 登録日 | 2021-06-09 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
|
|
5XXT
 | | GDP-microtubule complexed with nucleotide-free KIF5C | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Morikawa, M, Shigematsu, H, Nitta, R, Hirokawa, N. | | 登録日 | 2017-07-05 | | 公開日 | 2018-10-10 | | 最終更新日 | 2019-11-06 | | 実験手法 | ELECTRON MICROSCOPY (5.35 Å) | | 主引用文献 | Kinesin-binding-triggered conformation switching of microtubules contributes to polarized transport
J. Cell Biol., 217, 2018
|
|
7F1K
 | | Designed enzyme RA61 M48K/I72D mutant: form IV | | 分子名称: | Engineered Retroaldolase | | 著者 | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | 登録日 | 2021-06-09 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
|
|
5Y0M
 | | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D36A/D122G/H130Y/E263Q mutant | | 分子名称: | CHLORIDE ION, Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, ... | | 著者 | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | | 登録日 | 2017-07-18 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase
Sci Rep, 8, 2018
|
|
7F1L
 | | Designed enzyme RA61 M48K/I72D mutant: form V | | 分子名称: | CHLORIDE ION, Engineered Retroaldolase, IMIDAZOLE | | 著者 | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | 登録日 | 2021-06-09 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
|
|
5GKY
 | | Structure of RyR1 in a closed state (C1 conformer) | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION | | 著者 | Bai, X.C, Yan, Z, Wu, J.P, Yan, N. | | 登録日 | 2016-07-07 | | 公開日 | 2016-08-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | The Central domain of RyR1 is the transducer for long-range allosteric gating of channel opening
Cell Res., 26, 2016
|
|
5YGY
 | | Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Fuchino, K, Mitsuoka, Y, Masui, M, Kurose, N, Yoshida, S, Komano, K, Yamamoto, T, Ogawa, M, Unemura, C, Hosono, M, Ito, H, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Miyajima, H, Hiroyama, S, Koyabu, K, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | | 登録日 | 2017-09-27 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain
J. Med. Chem., 61, 2018
|
|
5YIH
 | | Crystal structure of tetrameric Nucleoside diphosphate kinase at 1.98 A resolution from Acinetobacter baumannii | | 分子名称: | MAGNESIUM ION, Nucleoside diphosphate kinase | | 著者 | Bairagya, H.R, Sikarwar, J, Iqbal, N, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2017-10-04 | | 公開日 | 2017-10-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Crystal structure of tetrameric Nucleoside diphosphate kinase at 1.98 A resolution from Acinetobacter baumannii
To Be Published
|
|
6T56
 | | Thrombin in Complex with Benzylamine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZYLAMINE, GLYCEROL, ... | | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | | 登録日 | 2019-10-15 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Thrombin in Complex with Benzylamine
To Be Published
|
|
5YH4
 | |
8B0R
 | | Structure of the CalpL/cA4 complex | | 分子名称: | Cyclic tetraadenosine monophosphate (cA4), SMODS-associated and fused to various effectors domain-containing protein, SULFATE ION, ... | | 著者 | Schneberger, N, Hagelueken, G. | | 登録日 | 2022-09-08 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Antiviral signalling by a cyclic nucleotide activated CRISPR protease.
Nature, 614, 2023
|
|
