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7CPC
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BU of 7cpc by Molmil
His-Mediated Reversible Self-assembly of Ferritin Nanocage with Ni binding
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Zhang, T, Zhao, G.
登録日2020-08-06
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献His-Mediated Reversible Self-Assembly of Ferritin Nanocages through Two Different Switches for Encapsulation of Cargo Molecules.
Acs Nano, 2020
7CPI
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BU of 7cpi by Molmil
His-Mediated Reversible Self-assembly of Ferritin Nanocage with Zn binding
分子名称: FE (III) ION, Ferritin, ZINC ION
著者Gu, C, Zhang, T, Zhao, G.
登録日2020-08-07
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献His-Mediated Reversible Self-Assembly of Ferritin Nanocages through Two Different Switches for Encapsulation of Cargo Molecules.
Acs Nano, 2020
7CCH
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BU of 7cch by Molmil
Acinetobacter baumannii histidine kinase AdeS
分子名称: AdeS
著者Wen, Y, Felix, J.
登録日2020-06-17
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.848 Å)
主引用文献Proteolysis and multimerization regulate signaling along the two-component regulatory system AdeRS.
Iscience, 24, 2021
7CDA
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BU of 7cda by Molmil
Crystal structure of T2R-TTL-PAC complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.659 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CDD
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BU of 7cdd by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDG
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BU of 7cdg by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CQH
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BU of 7cqh by Molmil
Complex of TRP_CBS2 and Calmodulin_Clobe
分子名称: AT15141p, CALCIUM ION, Transient receptor potential protein
著者Shen, Z.S.
登録日2020-08-10
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Calmodulin binds to Drosophila TRP with an unexpected mode.
Structure, 29, 2021
7CDE
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BU of 7cde by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CUU
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BU of 7cuu by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132
分子名称: 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F.
登録日2020-08-24
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro .
Signal Transduct Target Ther, 6, 2021
7CDL
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BU of 7cdl by Molmil
holo-methanol dehydrogenase (MDH) with Cys131-Cys132 reduced from Methylococcus capsulatus (Bath)
分子名称: CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 2, Methanol dehydrogenase protein, ...
著者Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J.
登録日2020-06-20
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath).
J.Am.Chem.Soc., 143, 2021
7CCT
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BU of 7cct by Molmil
Quinolone synthase from Aegle marmelos Correa complexed with N-Methylanthraniloyl-CoA
分子名称: CADMIUM ION, N-Methylanthraniloyl-CoA, Type III polyketide synthase
著者Mallika, V, Abhinav, K.V, Frandsen, K.E.H, Soniya, E.V.
登録日2020-06-17
公開日2021-06-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and mechanistic insights into Quinolone Synthase to address its functional promiscuity
Commun Biol, 2024
7CEK
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BU of 7cek by Molmil
Crystal structure of T2R-TTL-BML-284 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-23
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CE8
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BU of 7ce8 by Molmil
Crystal structure of T2R-TTL-Compound11 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-22
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.725 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CSL
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BU of 7csl by Molmil
Crystal structure of the archaeal EF1A-EF1B complex
分子名称: Elongation factor 1-alpha, Elongation factor 1-beta
著者Suzuki, T, Ito, K, Miyoshi, T, Murakami, R, Uchiumi, T.
登録日2020-08-15
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the Switching Off of the Interaction between the Archaeal Ribosomal Stalk and aEF1A by Nucleotide Exchange Factor aEF1B.
J.Mol.Biol., 433, 2021
7CFU
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BU of 7cfu by Molmil
Crystal Structure of FMN-dependent Cysteine Decarboxylases SpaF
分子名称: ARGININE, DNA/pantothenate metabolism flavoprotein, FLAVIN MONONUCLEOTIDE
著者Li, J, Lu, J, Wang, H, Zhu, J.
登録日2020-06-28
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Characterization of FMN-dependent Cysteine Decarboxylases SPAF
To Be Published
7CG2
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BU of 7cg2 by Molmil
Vigna radiata Epoxide hydrolase mutant
分子名称: Epoxide hydrolase
著者Li, F.L, Yu, H.L, Xu, J.H.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
7CG6
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BU of 7cg6 by Molmil
Vigna radiata Epoxide hydrolase mutant M263Q
分子名称: Epoxide hydrolase
著者Li, F.L, Yu, H.L, Xu, J.H.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
7CE6
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BU of 7ce6 by Molmil
Crystal structure of T2R-TTL-Compound9 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-22
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CUE
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BU of 7cue by Molmil
Crystal structure of HID2 bound to human Hemoglobin
分子名称: Amino acid ABC transporter substrate-binding protein, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Caaveiro, J.M.M, Hoshino, M, Tsumoto, K.
登録日2020-08-22
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for the recognition of human hemoglobin by the Shr protein from Streptococcus pyogenes
To Be Published
7CLD
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BU of 7cld by Molmil
Crystal structure of T2R-TTL-Cevipabulin complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, CALCIUM ION, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-07-20
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.611 Å)
主引用文献Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect.
Sci Adv, 7, 2021
7CUD
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BU of 7cud by Molmil
Crystal structure of HID in the unbound form
分子名称: Amino acid ABC transporter substrate-binding protein, BROMIDE ION
著者Caaveiro, J.M.M, Hoshino, M, Tsumoto, K.
登録日2020-08-22
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the recognition of human hemoglobin by the Shr protein from Streptococcus pyogenes
To Be Published
7CJL
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BU of 7cjl by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide
分子名称: (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Chen, J, Zhan, Z, Yu, Z.-J, Li, G, Li, G.-B, Guo, L, Wu, Y.
登録日2020-07-11
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-beta-lactamase inhibitors.
Rsc Adv, 10, 2020
7CHV
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BU of 7chv by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid
分子名称: 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Li, G.-B.
登録日2020-07-06
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Acta Pharm Sin B, 11, 2021
7CHX
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BU of 7chx by Molmil
acylphosphatase from Staphylococcus aureus
分子名称: Acylphosphatase
著者Lee, K.-Y, Kim, D.-G, Lee, B.-J.
登録日2020-07-06
公開日2021-07-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献acylphosphatase from Staphylococcus aureus
To Be Published
7CJO
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BU of 7cjo by Molmil
Crystal structure of metal-bound state of glucose isomerase
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Xylose isomerase
著者Nam, K.H.
登録日2020-07-12
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the metal-free state of glucose isomerase reveals its minimal open configuration for metal binding.
Biochem.Biophys.Res.Commun., 547, 2021

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