7BHN
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7BHK
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7BH5
| XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico) | 分子名称: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | 登録日 | 2021-01-10 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BHM
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7BH3
| XFEL structure of CTX-M-15 resting state | 分子名称: | Beta-lactamase, CHLORIDE ION, SULFATE ION | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | 登録日 | 2021-01-10 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BH7
| Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24 | 分子名称: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | 登録日 | 2021-01-10 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BHL
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4PCY
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4PHO
| ClyA CC6/264 ox (2-303) | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Hemolysin E, ... | 著者 | Roderer, D.J.A, Glockshuber, R, Ban, N. | 登録日 | 2014-05-06 | 公開日 | 2014-09-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.123 Å) | 主引用文献 | Characterization of Variants of the Pore-Forming Toxin ClyA from Escherichia coli Controlled by a Redox Switch. Biochemistry, 53, 2014
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8OEI
| SFX structure of FutA after an accumulated dose of 350 kGy | 分子名称: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | 著者 | Bolton, R, Tews, I. | 登録日 | 2023-03-10 | 公開日 | 2023-08-30 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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8OEM
| Crystal structure of FutA bound to Fe(II) | 分子名称: | FE (II) ION, Putative iron ABC transporter, substrate binding protein | 著者 | Bolton, R, Tews, I. | 登録日 | 2023-03-10 | 公開日 | 2023-08-30 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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8KHU
| Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48 | 分子名称: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ... | 著者 | Zhou, Z, Xu, Z.H. | 登録日 | 2023-08-22 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus. J.Med.Chem., 66, 2023
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8OGG
| Crystal structure of FutA after an accumulated dose of 5 kGy | 分子名称: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | 著者 | Bolton, R, Tews, I. | 登録日 | 2023-03-20 | 公開日 | 2023-08-30 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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6O5Z
| Crystal Structure of the human MLKL pseudokinase domain bound to compound 2 | 分子名称: | 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein | 著者 | Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E. | 登録日 | 2019-03-04 | 公開日 | 2020-09-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.285 Å) | 主引用文献 | Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway. Acs Chem.Biol., 15, 2020
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3GBF
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6OQA
| Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product | 分子名称: | (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | 著者 | Lee, S.-J, Shigdel, U.K, Townson, S.A, Verdine, G.L. | 登録日 | 2019-04-26 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Genomic discovery of an evolutionarily programmed modality for small-molecule targeting of an intractable protein surface. Proc.Natl.Acad.Sci.USA, 117, 2020
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3GJO
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2PCY
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6VXP
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7TPP
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7THS
| Macrocyclic plasmin inhibitor | 分子名称: | (2S)-butane-1,2-diol, (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide, Plasminogen, ... | 著者 | Guojie, W. | 登録日 | 2022-01-12 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors. Chemmedchem, 18, 2023
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7UW5
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7UX1
| EcMscK in an Open Conformation | 分子名称: | Mechanosensitive channel MscK | 著者 | Mount, J.W, Yuan, P. | 登録日 | 2022-05-04 | 公開日 | 2022-11-23 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.48 Å) | 主引用文献 | Structural basis for mechanotransduction in a potassium-dependent mechanosensitive ion channel. Nat Commun, 13, 2022
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7UAH
| Macrocyclic plasmin inhibitor | 分子名称: | (2~{R})-butane-1,2-diol, (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide, Plasminogen, ... | 著者 | Guojie, W. | 登録日 | 2022-03-12 | 公開日 | 2023-03-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors. Chemmedchem, 18, 2023
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6XJH
| PmtCD ABC exporter without the basket domain at C2 symmetry | 分子名称: | ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | 著者 | Zeytuni, N, Strynadka, N.J.C, Hu, J, Worrall, L.J, Chou, H, Yu, Z. | 登録日 | 2020-06-23 | 公開日 | 2020-10-14 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins Sci Adv, 6, 2020
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