4TN1
 
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6UYM
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v6 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C | | 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, Envelope glycoprotein E2, ... | | 著者 | Tzarum, N, Wilson, I.A, Zhu, J. | | 登録日 | 2019-11-13 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.848 Å) | | 主引用文献 | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
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7NLJ
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7NMM
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6UYF
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 6a bound to broadly neutralizing antibody AR3B | | 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, Envelope glycoprotein E2, ... | | 著者 | Tzarum, N, Wilson, I.A, Zhu, J. | | 登録日 | 2019-11-13 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
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5B0S
 | | Beta-1,2-Mannobiose phosphorylase from Listeria innocua - beta-1,2-mannotriose complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Lin0857 protein, ... | | 著者 | Tsuda, T, Arakawa, T, Fushinobu, S. | | 登録日 | 2015-11-02 | | 公開日 | 2015-12-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Characterization and crystal structure determination of beta-1,2-mannobiose phosphorylase from Listeria innocua
Febs Lett., 589, 2015
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6BC0
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6FE7
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-356 | | 分子名称: | (4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Singh, A.K, Brown, D.G. | | 登録日 | 2017-12-29 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | hPDE4D2 structure with inhibitor NPD-356
To be published
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5CYP
 | | GTPase domain of Septin 9 in complex with GTP-gamma-S | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Septin-9 | | 著者 | Matos, S.S, Leonardo, D.A, Pereira, H.M, Horjales, E, Araujo, A.P.U, Garratt, R.C. | | 登録日 | 2015-07-30 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.893 Å) | | 主引用文献 | A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface
Iucrj, 2020
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4TMV
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4TMT
 | | Translation initiation factor eIF5B (517-858) mutant D533A from C. thermophilum, bound to GTPgammaS | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ... | | 著者 | Kuhle, B, Ficner, R. | | 登録日 | 2014-06-02 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | A monovalent cation acts as structural and catalytic cofactor in translational GTPases.
Embo J., 33, 2014
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7YSQ
 | | GTPgammaS Tube decorated with kinesin | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha chain, ... | | 著者 | Zhou, J, Wang, H.-W. | | 登録日 | 2022-08-12 | | 公開日 | 2023-10-18 | | 実験手法 | ELECTRON MICROSCOPY (6.8 Å) | | 主引用文献 | Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023
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7YSR
 | | GTPgammaS MT decorated with kinesin | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha chain, ... | | 著者 | Zhou, J, Wang, H.-W. | | 登録日 | 2022-08-12 | | 公開日 | 2023-10-18 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023
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3SEC
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6UYG
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1 | | 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, Envelope glycoprotein E2, ... | | 著者 | Tzarum, N, Wilson, I.A, Zhu, J. | | 登録日 | 2019-11-13 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.375 Å) | | 主引用文献 | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
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6FGY
 | | Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4 | | 分子名称: | Beta-secretase 1, ~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | | 著者 | Rondeau, J.-M, Bourgier, E. | | 登録日 | 2018-01-11 | | 公開日 | 2018-06-06 | | 最終更新日 | 2018-06-20 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6BCB
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6G95
 | | Crystal structure of Ebolavirus glycoprotein in complex with thioridazine | | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | | 登録日 | 2018-04-10 | | 公開日 | 2018-05-23 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
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5ZND
 | | 8-mer nanotube derived from 24-mer rHuHF nanocage | | 分子名称: | Ferritin heavy chain | | 著者 | Wang, W.M, Wang, L.L, Zang, J.C, Chen, H, Zhao, G.H, Wang, H.F. | | 登録日 | 2018-04-09 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Selective Elimination of the Key Subunit Interfaces Facilitates Conversion of Native 24-mer Protein Nanocage into 8-mer Nanorings.
J. Am. Chem. Soc., 140, 2018
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6THQ
 | | Crystal structure of branched-chain aminotransferase from thermophilic archaea Thermoproteus uzoniensis with norvaline | | 分子名称: | 2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTANOIC ACID, Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Boyko, K.M, Nikolaeva, A.Y, Bezsudnova, E.Y, Popov, V.O. | | 登録日 | 2019-11-21 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Three-Dimensional Structure of Branched-Chain Amino Acid Transaminase from Thermoproteus uzoniensis in Complex with L-Norvaline
Crystallography Reports, 2020
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6FZJ
 | | PPAR gamma mutant complex | | 分子名称: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, IODIDE ION, ... | | 著者 | Rochel, N. | | 登録日 | 2018-03-14 | | 公開日 | 2019-02-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | | 主引用文献 | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
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7N4S
 | | Bruton's tyrosine kinase in complex with compound 65 | | 分子名称: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4R
 | | Bruton's tyrosine kinase in complex with compound 21 | | 分子名称: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4Q
 | | Bruton's tyrosine kinase in complex with compound 45 | | 分子名称: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2021-06-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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5I2N
 | | Structure of the human GluN1/GluN2A LBD in complex with N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 29) | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLUTAMIC ACID, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2016-02-09 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016
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