4WN1
| Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one | 分子名称: | 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Amano, Y, Honbou, K. | 登録日 | 2014-10-10 | 公開日 | 2014-12-31 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | Synthesis, SAR study, and biological evaluation of novel quinoline derivatives as phosphodiesterase 10A inhibitors with reduced CYP3A4 inhibition. Bioorg.Med.Chem., 23, 2015
|
|
5AYG
| Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g | 分子名称: | 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma | 著者 | Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T. | 登録日 | 2015-08-20 | 公開日 | 2016-03-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor Acs Med.Chem.Lett., 7, 2016
|
|
7N4N
| BACE-2 in complex with ligand 36 | 分子名称: | 1,2-ETHANEDIOL, Beta-secretase 2, N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide, ... | 著者 | Shaffer, P.L. | 登録日 | 2021-06-04 | 公開日 | 2021-10-06 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate. J.Med.Chem., 64, 2021
|
|
7N66
| BACE-1 in complex with ligand 12 | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Shaffer, P.L. | 登録日 | 2021-06-07 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate. J.Med.Chem., 64, 2021
|
|
3WPD
| Crystal structure of horse TLR9 in complex with inhibitory DNA4084 | 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, DNA (5'-D(*CP*CP*TP*GP*GP*AP*TP*GP*GP*G)-3'), ... | 著者 | Ohto, U, Tanji, H, Shimizu, T. | 登録日 | 2014-01-11 | 公開日 | 2015-02-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9 Nature, 520, 2015
|
|
3WPB
| Crystal structure of horse TLR9 (unliganded form) | 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, SULFATE ION, ... | 著者 | Ohto, U, Tanji, H, Shimizu, T. | 登録日 | 2014-01-11 | 公開日 | 2015-02-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9 Nature, 520, 2015
|
|
5ZOV
| |
3WPC
| Crystal structure of horse TLR9 in complex with agonistic DNA1668_12mer | 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, DNA (5'-D(*CP*AP*TP*GP*AP*CP*GP*TP*TP*CP*CP*T)-3'), ... | 著者 | Ohto, U, Tanji, H, Shimizu, T. | 登録日 | 2014-01-11 | 公開日 | 2015-02-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9 Nature, 520, 2015
|
|
3WPE
| |
5X5Y
| A membrane protein complex | 分子名称: | Probable ATP-binding component of ABC transporter, Uncharacterized protein | 著者 | Luo, Q, Yang, X, Huang, Y. | 登録日 | 2017-02-18 | 公開日 | 2017-04-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.465 Å) | 主引用文献 | Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG Nat. Struct. Mol. Biol., 24, 2017
|
|
6RKO
| Cryo-EM structure of the E. coli cytochrome bd-I oxidase at 2.68 A resolution | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ... | 著者 | Safarian, S, Hahn, A, Kuehlbrandt, W, Michel, H. | 登録日 | 2019-04-30 | 公開日 | 2019-10-16 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | 主引用文献 | Active site rearrangement and structural divergence in prokaryotic respiratory oxidases. Science, 366, 2019
|
|
7BPF
| Structure of L-threoninol nucleic acid - RNA complex | 分子名称: | L-aTNA (3'-(*GP*CP*AP*GP*CP*AP*GP*C)-1'), RNA (5'-R(*GP*CP*UP*GP*CP*(5BU)P*GP*C)-3') | 著者 | Kamiya, Y, Satoh, T, Kodama, A, Suzuki, T, Uchiyama, S, Kato, K, Asanuma, H. | 登録日 | 2020-03-22 | 公開日 | 2020-11-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Intrastrand backbone-nucleobase interactions stabilize unwound right-handed helical structures of heteroduplexes of L-aTNA/RNA and SNA/RNA Commun Chem, 2020
|
|
7BPG
| Structure of serinol nucleic acid - RNA complex | 分子名称: | CALCIUM ION, RNA (5'-R(*GP*CP*UP*GP*CP*(5BU)P*GP*C)-3'), SNA (S-(F7R)(F7X)(F7O)(F7R)(F7X)(F7O)(F7R)(F7U)-R) | 著者 | Kamiya, Y, Satoh, T, Kodama, A, Suzuki, T, Uchiyama, S, Kato, K, Asanuma, H. | 登録日 | 2020-03-22 | 公開日 | 2020-11-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Intrastrand backbone-nucleobase interactions stabilize unwound right-handed helical structures of heteroduplexes of L-aTNA/RNA and SNA/RNA Commun Chem, 2020
|
|
4WR5
| Crystal Structure of GST Mutated with Halogenated Tyrosine (7cGST-1) | 分子名称: | GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme, SULFATE ION | 著者 | Akasaka, R, Kawazoe, M, Tomabechi, Y, Ohtake, K, Itagaki, T, Takemoto, C, Shirouzu, M, Yokoyama, S, Sakamoto, K. | 登録日 | 2014-10-23 | 公開日 | 2015-08-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Protein stabilization utilizing a redefined codon Sci Rep, 5, 2015
|
|
3WPI
| |
4WR4
| Crystal Structure of GST Mutated with Halogenated Tyrosine (7bGST-1) | 分子名称: | GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme, SULFATE ION | 著者 | Akasaka, R, Kawazoe, M, Tomabechi, Y, Ohtake, K, Itagaki, T, Takemoto, C, Shirouzu, M, Yokoyama, S, Sakamoto, K. | 登録日 | 2014-10-23 | 公開日 | 2015-08-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Protein stabilization utilizing a redefined codon Sci Rep, 5, 2015
|
|
3WPH
| |
3WPG
| |
3WPF
| |
6E7J
| HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the P2 ligand | 分子名称: | (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2018-07-26 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J. Med. Chem., 61, 2018
|
|
6LKR
| Crystal structure of mouse DCAR2 CRD domain complex | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, C-type lectin domain family 4, member b1, ... | 著者 | Omahdi, Z, Horikawa, Y, Toyonaga, K, Kakuta, Y, Yamasaki, S. | 登録日 | 2019-12-20 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structural insight into the recognition of pathogen-derived phosphoglycolipids by C-type lectin receptor DCAR. J.Biol.Chem., 295, 2020
|
|
3VJH
| Human PPAR GAMMA ligand binding domain in complex with JKPL35 | 分子名称: | (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | 登録日 | 2011-10-20 | 公開日 | 2012-08-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype. J.Med.Chem., 55, 2012
|
|
5BXP
| LNBase in complex with LNB-LOGNAc | 分子名称: | Lacto-N-biosidase, SULFATE ION, beta-D-galactopyranose-(1-3)-N-acetylglucosaminono-1,5-lactone (Z)-oxime | 著者 | Ito, T, Arakawa, T, Fushinobu, S. | 登録日 | 2015-06-09 | 公開日 | 2015-09-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis Chem.Commun.(Camb.), 51, 2015
|
|
3VWR
| Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187G/H266N/D370Y mutant complexd with 6-aminohexanoate | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | 著者 | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | 登録日 | 2012-08-30 | 公開日 | 2013-10-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
|
|
5JGD
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | 分子名称: | N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | 登録日 | 2016-04-20 | 公開日 | 2016-07-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.101 Å) | 主引用文献 | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
|
|