7CPC
 
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7CPI
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7CCH
 | | Acinetobacter baumannii histidine kinase AdeS | | Descriptor: | AdeS | | Authors: | Wen, Y, Felix, J. | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.848 Å) | | Cite: | Proteolysis and multimerization regulate signaling along the two-component regulatory system AdeRS.
Iscience, 24, 2021
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7CDA
 | | Crystal structure of T2R-TTL-PAC complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.659 Å) | | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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7CDD
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | 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
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7CDG
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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
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7CQH
 | | Complex of TRP_CBS2 and Calmodulin_Clobe | | Descriptor: | AT15141p, CALCIUM ION, Transient receptor potential protein | | Authors: | Shen, Z.S. | | Deposit date: | 2020-08-10 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Calmodulin binds to Drosophila TRP with an unexpected mode.
Structure, 29, 2021
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7CDE
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | 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
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7CUU
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132 | | Descriptor: | 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F. | | Deposit date: | 2020-08-24 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro .
Signal Transduct Target Ther, 6, 2021
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7CDL
 | | holo-methanol dehydrogenase (MDH) with Cys131-Cys132 reduced from Methylococcus capsulatus (Bath) | | Descriptor: | CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 2, Methanol dehydrogenase protein, ... | | Authors: | 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. | | Deposit date: | 2020-06-20 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 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
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7CCT
 | | Quinolone synthase from Aegle marmelos Correa complexed with N-Methylanthraniloyl-CoA | | Descriptor: | CADMIUM ION, N-Methylanthraniloyl-CoA, Type III polyketide synthase | | Authors: | Mallika, V, Abhinav, K.V, Frandsen, K.E.H, Soniya, E.V. | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and mechanistic insights into Quinolone Synthase to address its functional promiscuity
Commun Biol, 2024
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7CEK
 | | Crystal structure of T2R-TTL-BML-284 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-06-23 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.696 Å) | | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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7CE8
 | | Crystal structure of T2R-TTL-Compound11 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-06-22 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.725 Å) | | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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7CSL
 | | Crystal structure of the archaeal EF1A-EF1B complex | | Descriptor: | Elongation factor 1-alpha, Elongation factor 1-beta | | Authors: | Suzuki, T, Ito, K, Miyoshi, T, Murakami, R, Uchiumi, T. | | Deposit date: | 2020-08-15 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
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7CFU
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7CG2
 | | Vigna radiata Epoxide hydrolase mutant | | Descriptor: | Epoxide hydrolase | | Authors: | Li, F.L, Yu, H.L, Xu, J.H. | | Deposit date: | 2020-06-30 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
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7CG6
 | | Vigna radiata Epoxide hydrolase mutant M263Q | | Descriptor: | Epoxide hydrolase | | Authors: | Li, F.L, Yu, H.L, Xu, J.H. | | Deposit date: | 2020-06-30 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
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7CE6
 | | Crystal structure of T2R-TTL-Compound9 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-06-22 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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7CUE
 | | Crystal structure of HID2 bound to human Hemoglobin | | Descriptor: | Amino acid ABC transporter substrate-binding protein, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Caaveiro, J.M.M, Hoshino, M, Tsumoto, K. | | Deposit date: | 2020-08-22 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis for the recognition of human hemoglobin by the Shr protein from Streptococcus pyogenes
To Be Published
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7CLD
 | | Crystal structure of T2R-TTL-Cevipabulin complex | | Descriptor: | 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, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-07-20 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.611 Å) | | Cite: | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect.
Sci Adv, 7, 2021
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7CUD
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7CJL
 | | Metallo-Beta-Lactamase VIM-2 in complex with (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide | | Descriptor: | (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Chen, J, Zhan, Z, Yu, Z.-J, Li, G, Li, G.-B, Guo, L, Wu, Y. | | Deposit date: | 2020-07-11 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-beta-lactamase inhibitors.
Rsc Adv, 10, 2020
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7CHV
 | | Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid | | Descriptor: | 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Li, G.-B. | | Deposit date: | 2020-07-06 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | 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
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7CHX
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7CJO
 | | Crystal structure of metal-bound state of glucose isomerase | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Xylose isomerase | | Authors: | Nam, K.H. | | Deposit date: | 2020-07-12 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 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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