7RNH
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-45 | 分子名称: | 3C-like proteinase, 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-29 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
7LUF
| HSV1 polymerase ternary complex with dsDNA and PNU-183792 | 分子名称: | DNA (5'-D(*CP*GP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*CP*G)-3'), DNA polymerase, ... | 著者 | Hayes, R.P, Klein, D. | 登録日 | 2021-02-22 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structural understanding of non-nucleoside inhibition in an elongating herpesvirus polymerase. Nat Commun, 12, 2021
|
|
4WTD
| CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH ADP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-AUAAAUUU | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ... | 著者 | Edwards, T.E, Fox III, D, Appleby, T.C. | 登録日 | 2014-10-29 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis for RNA replication by the hepatitis C virus polymerase. Science, 347, 2015
|
|
7RMB
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-78 | 分子名称: | 3C-like proteinase, 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-27 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
7BCS
| ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation. | 分子名称: | (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | 著者 | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | 登録日 | 2020-12-21 | 公開日 | 2021-09-22 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | 主引用文献 | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7RN4
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-69 | 分子名称: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-29 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
8QAU
| |
6N52
| Metabotropic Glutamate Receptor 5 Apo Form | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5 | 著者 | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | 登録日 | 2018-11-20 | 公開日 | 2019-01-23 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
|
|
8QG1
| |
7RE6
| |
6GBB
| Copper nitrite reductase from Achromobacter cycloclastes: large cell polymorph dataset 1 | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | 著者 | Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A. | 登録日 | 2018-04-13 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6HS4
| Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118 | 分子名称: | 1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Ren, J, Zhao, Y, Stuart, D.I. | 登録日 | 2018-09-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library. J.Med.Chem., 62, 2019
|
|
7RMZ
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-63 | 分子名称: | 3C-like proteinase, 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-28 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
5JS5
| Nitric oxide complex of the L16F mutant of cytochrome c prime from Alcaligenes xylosoxidans | 分子名称: | ASCORBIC ACID, Cytochrome c', HEME C, ... | 著者 | Kekilli, D, Strange, R.W, Hough, M.A. | 登録日 | 2016-05-07 | 公開日 | 2017-03-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017
|
|
4X09
| Structure of human RNase 6 in complex with sulphate anions | 分子名称: | GLYCEROL, Ribonuclease K6, SULFATE ION | 著者 | Prats-Ejarque, G, Arranz-Trullen, J, Blanco, J.A, Pulido, D, Moussaoui, M, Boix, E. | 登録日 | 2014-11-21 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.722 Å) | 主引用文献 | The first crystal structure of human RNase 6 reveals a novel substrate-binding and cleavage site arrangement. Biochem.J., 473, 2016
|
|
7LXW
| |
5K0K
| Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434 | 分子名称: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V. | 登録日 | 2016-05-17 | 公開日 | 2017-01-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | 主引用文献 | Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors. ACS Med Chem Lett, 7, 2016
|
|
8RSB
| p97 (VCP) mutant - F539A ADP state | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | 登録日 | 2024-01-24 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | p97 (VCP) mutant - F539A ADP state To Be Published
|
|
7SMI
| Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea | 分子名称: | L-galactose dehydrogenase | 著者 | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | 登録日 | 2021-10-26 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural Characterization of L-Galactose Dehydrogenase: An Essential Enzyme for Vitamin C Biosynthesis. Plant Cell.Physiol., 63, 2022
|
|
5JUA
| |
8SSM
| |
8QX5
| Helical Carotenoid Protein 4 (HCP4) from Anabaena with bound Canthaxanthin | 分子名称: | Orange carotenoid-binding domain-containing protein, beta,beta-carotene-4,4'-dione | 著者 | Sklyar, J, Wilson, A, Kirilovsky, D, Adir, N. | 登録日 | 2023-10-22 | 公開日 | 2024-04-03 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Insights into energy quenching mechanisms and carotenoid uptake by orange carotenoid protein homologs: HCP4 and CTDH. Int.J.Biol.Macromol., 265, 2024
|
|
6QGG
| Structure of human Bcl-2 in complex with analogue of ABT-737 | 分子名称: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-11 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
6GBY
| Copper nitrite reductase from Achromobacter cycloclastes: non-polymorph separated dataset 1 | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | 著者 | Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A. | 登録日 | 2018-04-16 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography. Acta Crystallogr D Struct Biol, 75, 2019
|
|
8RSC
| p97 (VCP) mutant - F539A | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | 登録日 | 2024-01-24 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | p97 (VCP) mutant - F539A To Be Published
|
|