8JOP
| Crystal structure of the SARS-CoV-2 main protease in complex with 11a | 分子名称: | 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | 著者 | Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J. | 登録日 | 2023-06-08 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease. Bioorg.Med.Chem.Lett., 92, 2023
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6U2G
| BRAF-MEK complex with AMP-PCP bound to BRAF | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J. | 登録日 | 2019-08-19 | 公開日 | 2019-08-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.886 Å) | 主引用文献 | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization. Nat.Struct.Mol.Biol., 27, 2020
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1APO
| THREE-DIMENSIONAL STRUCTURE OF THE APO FORM OF THE N-TERMINAL EGF-LIKE MODULE OF BLOOD COAGULATION FACTOR X AS DETERMINED BY NMR SPECTROSCOPY AND SIMULATED FOLDING | 分子名称: | EGF-LIKE MODULE OF BLOOD COAGULATION FACTOR X, HYDROXIDE ION | 著者 | Ullner, M, Selander, M, Persson, E, Stenflo, J, Drakenberg, T, Teleman, O. | 登録日 | 1992-04-21 | 公開日 | 1994-01-31 | 最終更新日 | 2017-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Three-dimensional structure of the apo form of the N-terminal EGF-like module of blood coagulation factor X as determined by NMR spectroscopy and simulated folding. Biochemistry, 31, 1992
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6GUZ
| Ground state structure of Archaerhodopsin-3 obtained from LCP crystals using a thin-film sandwich at room temperature | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | 著者 | Moraes, I, Judge, P.J, Bada Juarez, J.F, Vinals, J, Axford, D, Watts, A. | 登録日 | 2018-06-19 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Room temperature structure of the Archaerhodopsin-3 obtained from LCP crystals using a thin-film sandwich To Be Published
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5NRA
| Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7g | 分子名称: | 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | 著者 | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | 登録日 | 2017-04-22 | 公開日 | 2018-03-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.267 Å) | 主引用文献 | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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1AUY
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6NPR
| Crystal structure of H-2Dd with C84-C139 disulfide in complex with gp120 derived peptide P18-I10 | 分子名称: | ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | 著者 | Toor, J, McShan, A.C, Tripathi, S.M, Sgourakis, N.G. | 登録日 | 2019-01-18 | 公開日 | 2020-01-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection. Proc.Natl.Acad.Sci.USA, 116, 2019
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8J5P
| Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 2,000lux | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ... | 著者 | Xu, X, Xin, J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture. Elife, 12, 2023
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1IDJ
| PECTIN LYASE A | 分子名称: | PECTIN LYASE A | 著者 | Mayans, O, Scott, M, Connerton, I, Gravesen, T, Benen, J, Visser, J, Pickersgill, R, Jenkins, J. | 登録日 | 1996-10-04 | 公開日 | 1997-10-15 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Two crystal structures of pectin lyase A from Aspergillus reveal a pH driven conformational change and striking divergence in the substrate-binding clefts of pectin and pectate lyases. Structure, 5, 1997
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8J5O
| Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 100lux | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ... | 著者 | Xu, X, Xin, J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture. Elife, 12, 2023
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8JIA
| Cryo-EM structure of Mycobacterium tuberculosis ATP bound FtsE(E165Q)X/RipC complex in peptidisc | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ... | 著者 | Li, J, Xu, X, Luo, M. | 登録日 | 2023-05-26 | 公開日 | 2023-10-04 | 最終更新日 | 2023-12-20 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Regulation of the cell division hydrolase RipC by the FtsEX system in Mycobacterium tuberculosis. Nat Commun, 14, 2023
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6U4J
| Crystal structure of IDH1 R132H mutant in complex with FT-2102 | 分子名称: | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile, CHLORIDE ION, CITRATE ANION, ... | 著者 | Toms, A.V, Lin, J. | 登録日 | 2019-08-25 | 公開日 | 2020-03-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. J.Med.Chem., 63, 2020
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8UMO
| Murine CD94-NKG2A receptor in complex with Qa-1b presenting AMAPRTLLL | 分子名称: | BROMIDE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | 著者 | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | 登録日 | 2023-10-18 | 公開日 | 2024-01-17 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of the murine CD94-NKG2A receptor in complex with Qa-1 b presenting an MHC-I leader peptide. Febs J., 291, 2024
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6D64
| Crystal Structure of Human CD1b in Complex with POPC | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | 著者 | Shahine, A.E, Rossjohn, J. | 登録日 | 2018-04-20 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids. Nat Commun, 10, 2019
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4JCM
| Crystal structure of Gamma-CGTASE from Alkalophilic bacillus clarkii at 1.65 Angstrom resolution | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Wu, L, Yang, D, Zhou, J, Wu, J, Chen, J. | 登録日 | 2013-02-22 | 公開日 | 2014-02-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The Crystal Structure of Gamma-Cgtase from Alkalophilic Bacillus Clarkii at 1.65 Angstrom Resolution. To be Published
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6GJP
| Cyclophilin A complexed with tri-vector ligand 7. | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | 登録日 | 2018-05-16 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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2CKK
| High resolution crystal structure of the human kin17 C-terminal domain containing a kow motif | 分子名称: | ACETATE ION, IODIDE ION, KIN17 | 著者 | le Maire, A, Schiltz, M, Pinon-Lataillade, G, Stura, E, Couprie, J, Gondry, M, Angulo-Mora, J, Zinn-Justin, S. | 登録日 | 2006-04-20 | 公開日 | 2006-10-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | A Tandem of SH3-Like Domains Participates in RNA Binding in Kin17, a Human Protein Activated in Response to Genotoxics. J.Mol.Biol., 364, 2006
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6DBS
| Fusion surface structure, function, and dynamics of gamete fusogen HAP2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hapless 2, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Feng, J, Dong, X, Springer, T.A. | 登録日 | 2018-05-03 | 公開日 | 2018-09-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.602 Å) | 主引用文献 | Fusion surface structure, function, and dynamics of gamete fusogen HAP2. Elife, 7, 2018
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4ZP0
| Crystal structure of E. coli multidrug transporter MdfA in complex with deoxycholate | 分子名称: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, LAURYL DIMETHYLAMINE-N-OXIDE, Multidrug transporter MdfA | 著者 | Zhang, X.C, Heng, J, Zhao, Y, Wang, X. | 登録日 | 2015-05-07 | 公開日 | 2015-08-19 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Substrate-bound structure of the E. coli multidrug resistance transporter MdfA Cell Res., 25, 2015
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2R77
| Crystal structure of phosphatidylethanolamine-binding protein, pfl0955c, from Plasmodium falciparum | 分子名称: | Phosphatidylethanolamine-binding protein, putative | 著者 | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Crombette, L, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | 登録日 | 2007-09-07 | 公開日 | 2007-09-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of phosphatidylethanolamine-binding protein, pfl0955c, from Plasmodium falciparum. To be Published
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4Z68
| Hybrid structural analysis of the Arp2/3 regulator Arpin identifies its acidic tail as a primary binding epitope | 分子名称: | GLU-ILE-ARG-GLU-GLN-GLY-ASP-GLY-ALA-GLU-ASP-GLU, SULFATE ION, Tankyrase-2 | 著者 | Fetics, S.K, Campanacci, V, Dang, I, Gautreau, A, Cherfils, J. | 登録日 | 2015-04-04 | 公開日 | 2015-12-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.859 Å) | 主引用文献 | Hybrid Structural Analysis of the Arp2/3 Regulator Arpin Identifies Its Acidic Tail as a Primary Binding Epitope. Structure, 24, 2016
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6QBH
| Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 33 | 分子名称: | (4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brynda, J, Houstecka, R, Majer, P, Mares, M. | 登録日 | 2018-12-21 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63, 2020
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1APY
| HUMAN ASPARTYLGLUCOSAMINIDASE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARTYLGLUCOSAMINIDASE, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Rouvinen, J, Oinonen, C. | 登録日 | 1995-06-14 | 公開日 | 1996-12-23 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Three-dimensional structure of human lysosomal aspartylglucosaminidase. Nat.Struct.Biol., 2, 1995
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5NYA
| Carbonic Anhydrase II Inhibitor RA13 | 分子名称: | Carbonic anhydrase 2, GLUTARIC ACID, ZINC ION, ... | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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8J00
| Human KCNQ2-CaM in complex with CBD | 分子名称: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol | 著者 | Ma, D, Li, X, Guo, J. | 登録日 | 2023-04-09 | 公開日 | 2023-11-29 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Ligand activation mechanisms of human KCNQ2 channel. Nat Commun, 14, 2023
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