5DYK
 
 | | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form | | 分子名称: | 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ... | | 著者 | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | | 登録日 | 2015-09-24 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6YVY
 | |
6YVS
 | | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 5-{4-[(Pyridin-3-ylmethyl)-amino]-5-trifluoromethyl-pyrimidin-2-ylamino}-1,3-dihydro-indol-2-one | | 分子名称: | 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one, Focal adhesion kinase 1, SULFATE ION | | 著者 | Musil, D, Heinrich, T, Amaral, M. | | 登録日 | 2020-04-28 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
|
|
7LLQ
 | | Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity | | 分子名称: | 1-benzyl-4-methoxybenzene, 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, Leukotriene A-4 hydrolase, ... | | 著者 | Lee, K.H, Lee, S.H, Shim, Y.M, Paige, M, Noble, S.M. | | 登録日 | 2021-02-04 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation.
Sci Rep, 12, 2022
|
|
5LH3
 | | High dose Thaumatin - 0-40 ms. | | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | | 著者 | Schubert, R, Kapis, S, Heymann, M, Giquel, Y, Bourenkov, G, Schneider, T, Betzel, C, Perbandt, M. | | 登録日 | 2016-07-08 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | A multicrystal diffraction data-collection approach for studying structural dynamics with millisecond temporal resolution.
IUCrJ, 3, 2016
|
|
4WQA
 | | Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate co-crystallization | | 分子名称: | 1,2-ETHANEDIOL, HEME C, IODIDE ION, ... | | 著者 | Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-18 | | 最終更新日 | 2015-04-15 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
|
|
6YSY
 | | Skeletal Myosin bound to MPH-220, MgADP-VO4 | | 分子名称: | (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Canon, L, Kikuti, C.M, Gyimesi, M, Malnasi-Csizmadia, A, Houdusse, A. | | 登録日 | 2020-04-23 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.246 Å) | | 主引用文献 | Single Residue Variation in Skeletal Muscle Myosin Enables Direct and Selective Drug Targeting for Spasticity and Muscle Stiffness.
Cell, 183, 2020
|
|
9EY7
 | |
9EY5
 | |
5E4K
 | | Structure of ligand binding region of uPARAP at pH 7.4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, C-type mannose receptor 2, ... | | 著者 | Yuan, C, Huang, M. | | 登録日 | 2015-10-06 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Crystal structures of the ligand-binding region of uPARAP: effect of calcium ion binding
Biochem.J., 473, 2016
|
|
2R1F
 | | Crystal structure of predicted aminodeoxychorismate lyase from Escherichia coli | | 分子名称: | CADMIUM ION, GLYCEROL, Predicted aminodeoxychorismate lyase, ... | | 著者 | Patskovsky, Y, Ramagopal, U.A, Toro, R, Meyer, A.J, Rutter, M, Lau, C, Maletic, M, Smith, D, Gheyi, T, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2007-08-22 | | 公開日 | 2007-09-04 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Crystal Structure of Predicted Aminodeoxychorismate Lyase from Escherichia coli.
To be Published
|
|
7LHQ
 | | Solution structure of SARS-CoV-2 nonstructural protein 7 at pH 7.0 | | 分子名称: | Non-structural protein 7 | | 著者 | Lee, Y, Tonelli, M, Anderson, T.K, Kirchdoerfer, R.N, Henzler-Wildman, K, Lee, W. | | 登録日 | 2021-01-26 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | pH-dependent polymorphism of the structure of SARS-CoV-2 nsp7
Biorxiv, 2021
|
|
4UFZ
 | | Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE | | 著者 | Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J. | | 登録日 | 2015-03-20 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
9EY6
 | | Crystal structure of human tyrosinase-related protein 1 (TYRP1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5,6-dihydroxyindole-2-carboxylic acid oxidase, ... | | 著者 | Ng, Y.M, Soler-Lopez, M. | | 登録日 | 2024-04-09 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.228 Å) | | 主引用文献 | Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
|
|
8JPW
 | | Crystal Structure of Single-chain L-Glutamate Oxidase Mutant from Streptomyces sp. X-119-6 | | 分子名称: | 2-OXOGLUTARIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, L-glutamate oxidase, ... | | 著者 | Yamaguchi, H, Takahashi, K, Tatsumi, M, Tagami, U, Mizukoshi, T, Miyano, H, Sugiki, M. | | 登録日 | 2023-06-13 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Development of a novel single-chain l-glutamate oxidase from Streptomyces sp. X-119-6 by inserting flexible linkers.
Enzyme.Microb.Technol., 170, 2023
|
|
5LVX
 | | Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | | 分子名称: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D. | | 登録日 | 2016-09-14 | | 公開日 | 2017-10-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
|
|
8JPQ
 | | SARS-CoV-2 Mpro in complex with D-5-96 | | 分子名称: | ACETIC ACID, ALANINE, ISOLEUCINE, ... | | 著者 | Liu, M, Huang, H. | | 登録日 | 2023-06-12 | | 公開日 | 2023-08-23 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
6Z15
 | | Human wtSTING in complex with 3',3'-c-di-AMP | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon protein | | 著者 | Boura, E, Smola, M. | | 登録日 | 2020-05-12 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
2QV5
 | | Crystal structure of uncharacterized protein ATU2773 from Agrobacterium tumefaciens C58 | | 分子名称: | GLYCEROL, Uncharacterized protein Atu2773 | | 著者 | Patskovsky, Y, Bonanno, J.B, Sojitra, S, Dickey, M, Bain, K.T, Iizuka, M, Smith, D, Rodgers, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2007-08-07 | | 公開日 | 2007-08-21 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of Uncharacterized Protein Atu2773 from Agrobacterium Tumefaciens.
To be Published
|
|
4WQ8
 | | Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate soak | | 分子名称: | HEME C, IODIDE ION, SULFATE ION, ... | | 著者 | Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-18 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (1.3989 Å) | | 主引用文献 | Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
|
|
7MJR
 | | Vip4Da2 toxin structure | | 分子名称: | CALCIUM ION, SULFATE ION, Vip4Da1 protein | | 著者 | Rydel, T.J, Duda, D, Zheng, M, Henry, A. | | 登録日 | 2021-04-20 | | 公開日 | 2021-05-05 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | | 主引用文献 | Structural and functional insights into the first Bacillus thuringiensis vegetative insecticidal protein of the Vpb4 fold, active against western corn rootworm.
Plos One, 16, 2021
|
|
5LH6
 | | High dose Thaumatin - 360-400 ms. | | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | | 著者 | Schubert, R, Kapis, S, Heymann, M, Giquel, Y, Bourenkov, G, Schneider, T, Betzel, C, Perbandt, M. | | 登録日 | 2016-07-08 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | A multicrystal diffraction data-collection approach for studying structural dynamics with millisecond temporal resolution.
IUCrJ, 3, 2016
|
|
7ML9
 | | The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ... | | 著者 | Rydel, T.J, Zheng, M, Evdokimov, A. | | 登録日 | 2021-04-27 | | 公開日 | 2021-05-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm.
Plos One, 16, 2021
|
|
6TPN
 | | Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution | | 分子名称: | 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, NITRATE ION, OLEIC ACID, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-13 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.608 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
|
|
5LI2
 | | bacteriophage phi812K1-420 tail sheath and tail tube protein in native tail | | 分子名称: | Phage-like element PBSX protein XkdM, tail sheath protein | | 著者 | Novacek, J, Siborova, M, Benesik, M, Pantucek, R, Doskar, J, Plevka, P. | | 登録日 | 2016-07-14 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | | 主引用文献 | Structure and genome release of Twort-like Myoviridae phage with a double-layered baseplate.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
