7CX3
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![BU of 7cx3 by Molmil](/molmil-images/mine/7cx3) | Cryo-EM structure of the Taprenepag-bound EP2-Gs complex | 分子名称: | 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | 登録日 | 2020-09-01 | 公開日 | 2021-05-05 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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7CX2
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![BU of 7cx2 by Molmil](/molmil-images/mine/7cx2) | Cryo-EM structure of the PGE2-bound EP2-Gs complex | 分子名称: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | 登録日 | 2020-09-01 | 公開日 | 2021-05-05 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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8ANF
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![BU of 8anf by Molmil](/molmil-images/mine/8anf) | Small molecule stabilizer for ERalpha and 14-3-3 (1074359) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-05 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AXU
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![BU of 8axu by Molmil](/molmil-images/mine/8axu) | Small molecule stabilizer for ERalpha and 14-3-3 (1075297) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-09-01 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AOY
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![BU of 8aoy by Molmil](/molmil-images/mine/8aoy) | Small molecule stabilizer for ERalpha and 14-3-3 (1075478) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-09 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AWG
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![BU of 8awg by Molmil](/molmil-images/mine/8awg) | small molecule stabilizer for ERalpha and 14-3-3 (1074202) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-29 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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7QHE
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![BU of 7qhe by Molmil](/molmil-images/mine/7qhe) | Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | 分子名称: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | 登録日 | 2021-12-12 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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8AZE
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![BU of 8aze by Molmil](/molmil-images/mine/8aze) | Small molecule stabilizer for ERalpha and 14-3-3 (1075306) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, ERalpha peptide, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-09-06 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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7QHD
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![BU of 7qhd by Molmil](/molmil-images/mine/7qhd) | Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | 分子名称: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | 登録日 | 2021-12-12 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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8AXE
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![BU of 8axe by Molmil](/molmil-images/mine/8axe) | Small molecule stabilizer for ERalpha and 14-3-3 (1074210) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-31 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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5X41
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![BU of 5x41 by Molmil](/molmil-images/mine/5x41) | 3.5A resolution structure of a cobalt energy-coupling factor transporter using LCP method-CbiMQO | 分子名称: | Cobalt ABC transporter ATP-binding protein, Cobalt transport protein CbiM, Uncharacterized protein CbiQ | 著者 | Bao, Z, Qi, X, Zhao, W, Li, D, Zhang, P. | 登録日 | 2017-02-09 | 公開日 | 2017-04-19 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.47 Å) | 主引用文献 | Structure and mechanism of a group-I cobalt energy coupling factor transporter Cell Res., 27, 2017
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5X40
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![BU of 5x40 by Molmil](/molmil-images/mine/5x40) | Structure of a CbiO dimer bound with AMPPCP | 分子名称: | Cobalt ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Bao, Z, Qi, X, Wang, J, Zhang, P. | 登録日 | 2017-02-09 | 公開日 | 2017-04-05 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure and mechanism of a group-I cobalt energy coupling factor transporter Cell Res., 27, 2017
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5XN6
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![BU of 5xn6 by Molmil](/molmil-images/mine/5xn6) | Heterodimer crystal structure of geranylgeranyl diphosphate synthases 1 with GGPPS Recruiting Protein(OsGRP) from Oryza sativa | 分子名称: | Os02g0668100 protein, Os07g0580900 protein | 著者 | Wang, C, Zhou, F, Lu, S, Zhang, P. | 登録日 | 2017-05-18 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.598 Å) | 主引用文献 | A recruiting protein of geranylgeranyl diphosphate synthase controls metabolic flux toward chlorophyll biosynthesis in rice Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8B56
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![BU of 8b56 by Molmil](/molmil-images/mine/8b56) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9 | 分子名称: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | 著者 | Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P. | 登録日 | 2022-09-21 | 公開日 | 2023-08-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.823 Å) | 主引用文献 | Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors. J.Med.Chem., 65, 2022
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5X3X
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![BU of 5x3x by Molmil](/molmil-images/mine/5x3x) | 2.8A resolution structure of a cobalt energy-coupling factor transporter-CbiMQO | 分子名称: | Cobalt ABC transporter ATP-binding protein, Cobalt transport protein CbiM, Uncharacterized protein CbiQ | 著者 | Bao, Z, Qi, X, Wang, J, Zhang, P. | 登録日 | 2017-02-09 | 公開日 | 2017-04-05 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.788 Å) | 主引用文献 | Structure and mechanism of a group-I cobalt energy coupling factor transporter Cell Res., 27, 2017
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5XN5
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4Z7F
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![BU of 4z7f by Molmil](/molmil-images/mine/4z7f) | Crystal structure of FolT bound with folic acid | 分子名称: | FOLIC ACID, Folate ECF transporter | 著者 | Zhao, Q, Wang, C.C, Wang, C.Y, Zhang, P. | 登録日 | 2015-04-07 | 公開日 | 2015-07-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.194 Å) | 主引用文献 | Structures of FolT in substrate-bound and substrate-released conformations reveal a gating mechanism for ECF transporters Nat Commun, 6, 2015
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8EG6
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![BU of 8eg6 by Molmil](/molmil-images/mine/8eg6) | huCaspase-6 in complex with inhibitor 2a | 分子名称: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | 登録日 | 2022-09-11 | 公開日 | 2023-05-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
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8EG5
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![BU of 8eg5 by Molmil](/molmil-images/mine/8eg5) | huCaspase-6 in complex with inhibitor 3a | 分子名称: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | 著者 | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | 登録日 | 2022-09-11 | 公開日 | 2023-05-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
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5UOT
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![BU of 5uot by Molmil](/molmil-images/mine/5uot) | |
5V6J
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![BU of 5v6j by Molmil](/molmil-images/mine/5v6j) | Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TMV resistance protein Y3 | 著者 | Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y. | 登録日 | 2017-03-16 | 公開日 | 2017-08-16 | 最終更新日 | 2017-09-06 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V6I
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![BU of 5v6i by Molmil](/molmil-images/mine/5v6i) | Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity - Pt derivative | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, PLATINUM (II) ION, ... | 著者 | Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y. | 登録日 | 2017-03-16 | 公開日 | 2017-08-16 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6KM8
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![BU of 6km8 by Molmil](/molmil-images/mine/6km8) | Crystal Structure of Momordica charantia 7S globulin | 分子名称: | 7S globulin, ACETATE ION, COPPER (II) ION | 著者 | Kesari, P, Pratap, S, Dhankhar, P, Dalal, V, Kumar, P. | 登録日 | 2019-07-31 | 公開日 | 2020-02-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.099 Å) | 主引用文献 | Structural characterization and in-silico analysis of Momordica charantia 7S globulin for stability and ACE inhibition. Sci Rep, 10, 2020
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5XSJ
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![BU of 5xsj by Molmil](/molmil-images/mine/5xsj) | XylFII-LytSN complex | 分子名称: | Periplasmic binding protein/LacI transcriptional regulator, Signal transduction histidine kinase, LytS, ... | 著者 | Li, J.X, Wang, C.Y, Zhang, P. | 登録日 | 2017-06-14 | 公開日 | 2017-08-02 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3J3Q
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![BU of 3j3q by Molmil](/molmil-images/mine/3j3q) | |