5LL4
 
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5IFU
 | | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Glyburide | | 分子名称: | 1,2-ETHANEDIOL, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, CHLORIDE ION, ... | | 著者 | Dranow, D.M, Hewitt, S.N, Abendroth, J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-02-26 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
ACS Infect Dis, 3, 2017
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7FY7
 | | Crystal Structure of human FABP4 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=26.3725 microM | | 分子名称: | 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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7SZ9
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto Acyl Carrier Protein, AcpP | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide, ... | | 著者 | Mindrebo, J.T, Chen, A, Noel, J.P, Burkart, M.D. | | 登録日 | 2021-11-26 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
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5MIM
 | | Xray structure of human furin bound with the 2,5-dideoxystreptamine derived small molecule inhibitor 1n | | 分子名称: | 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Dahms, S.O, Guan-Sheng, J, Than, M.E. | | 登録日 | 2016-11-28 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Studies Revealed Active Site Distortions of Human Furin by a Small Molecule Inhibitor.
ACS Chem. Biol., 12, 2017
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8RG8
 | | High pH (8.0) nitrite-bound MSOX movie series dataset 1 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [0.68 MGy] | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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5IFD
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7G15
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with rac-(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid, i.e. SMILES C1CC[C@H]([C@H](C1)C(=O)O)COc1cc(c(cc1)Cl)Cl with IC50=6.03742 microM | | 分子名称: | (1S,2R)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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5LPK
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6ZSA
 | | Human mitochondrial ribosome bound to mRNA, A-site tRNA and P-site tRNA | | 分子名称: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | | 著者 | Aibara, S, Singh, V, Modelska, A, Amunts, A. | | 登録日 | 2020-07-15 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural basis of mitochondrial translation.
Elife, 9, 2020
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3JVS
 | | Characterization of the Chk1 allosteric inhibitor binding site | | 分子名称: | 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide, Serine/threonine-protein kinase Chk1 | | 著者 | Chen, P. | | 登録日 | 2009-09-17 | | 公開日 | 2009-10-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
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6C1K
 | | HypoPP mutant with ligand1 | | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GUANIDINE, Ion transport protein, ... | | 著者 | Catterall, W.A, Zheng, N, Jiang, D, Gamal El-Din, T.M. | | 登録日 | 2018-01-04 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for gating pore current in periodic paralysis.
Nature, 557, 2018
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7D6B
 | | Crystal structure of Oryza sativa Os4BGlu18 monolignol beta-glucosidase with delta-gluconolactone | | 分子名称: | Beta-glucosidase 18, D-glucono-1,5-lactone, GLYCEROL, ... | | 著者 | Baiya, S, Pengthaisong, S, Ketudat Cairns, J.R. | | 登録日 | 2020-09-29 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural analysis of rice Os4BGlu18 monolignol beta-glucosidase.
Plos One, 16, 2021
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8RFV
 | | High pH (8.0) as-isolated MSOX movie series dataset 1 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [0.41 MGy] | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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5MMR
 | | Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ... | | 著者 | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2016-12-12 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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5LXS
 | | Tubulin-KS-1-199-32 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Prota, A.E, Steinmetz, M.O. | | 登録日 | 2016-09-22 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Basis of Microtubule Stabilization by Discodermolide.
Chembiochem, 18, 2017
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8OGI
 | | Structure of native human eosinophil peroxidase | | 分子名称: | 1,2-ETHANEDIOL, 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 | Pfanzagl, V, Obinger, C. | | 登録日 | 2023-03-20 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.547 Å) | | 主引用文献 | Posttranslational modification and heme cavity architecture of human eosinophil peroxidase-insights from first crystal structure and biochemical characterization.
J.Biol.Chem., 299, 2023
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5V7C
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5ZA1
 | | Ligand complex of RORgt LBD | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide, DIMETHYLFORMAMIDE, ... | | 著者 | Yamamoto, S, Yamaguchi, H. | | 登録日 | 2018-02-06 | | 公開日 | 2018-10-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (ROR gamma t) inhibitor, S18-000003.
Bioorg. Med. Chem. Lett., 28, 2018
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5UIO
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6BUN
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5BUV
 | | X-ray structure of WbcA from Yersinia enterocolitica | | 分子名称: | 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, PHOSPHATE ION, ... | | 著者 | Holden, H.M, Salinger, A.J, Brown, H.A, Thoden, J.B. | | 登録日 | 2015-06-04 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Biochemical studies on WbcA, a sugar epimerase from Yersinia enterocolitica.
Protein Sci., 24, 2015
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6VH6
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7ABG
 | | Human pre-Bact-1 spliceosome | | 分子名称: | 116 kDa U5 small nuclear ribonucleoprotein component, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cell division cycle 5-like protein, ... | | 著者 | Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R. | | 登録日 | 2020-09-07 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | | 主引用文献 | Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation.
Science, 370, 2020
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8RO1
 | | Structure of the C. elegans Intron Lariat Spliceosome double-primed for disassembly (ILS'') | | 分子名称: | CWF19-like protein 1 homolog, CWF19-like protein 2 homolog, Cell division cycle 5-like protein, ... | | 著者 | Vorlaender, M.K, Rothe, P, Plaschka, C. | | 登録日 | 2024-01-11 | | 公開日 | 2024-08-07 | | 最終更新日 | 2024-08-21 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
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