7OLT
| Dioxygenase AsqJ in complex with 2 and Tris | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ... | 著者 | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | 登録日 | 2021-05-20 | 公開日 | 2022-06-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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7OLQ
| Dioxygenase AsqJ mutant (V72I) in complex with 2 and Tris | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ... | 著者 | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | 登録日 | 2021-05-20 | 公開日 | 2022-06-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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8BMS
| Cryo-EM structure of the mutant solitary ECF module 2EQ in MSP2N2 lipid nanodiscs in the ATPase closed and ATP-bound conformation | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | 著者 | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | 登録日 | 2022-11-10 | 公開日 | 2023-08-02 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Expulsion mechanism of the substrate-translocating subunit in ECF transporters. Nat Commun, 14, 2023
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4WGI
| A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1) | 分子名称: | (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ... | 著者 | Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H. | 登録日 | 2014-09-18 | 公開日 | 2014-11-19 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1). Acs Med.Chem.Lett., 5, 2014
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6UKO
| Structure analysis of full-length mouse bcs1 complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1 | 著者 | Xia, D, Esser, L. | 登録日 | 2019-10-05 | 公開日 | 2020-02-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | 主引用文献 | Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein. Nat.Struct.Mol.Biol., 27, 2020
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8BMP
| Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to ATP and ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, ... | 著者 | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | 登録日 | 2022-11-10 | 公開日 | 2023-08-02 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Expulsion mechanism of the substrate-translocating subunit in ECF transporters. Nat Commun, 14, 2023
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4WJT
| Stationary Phase Survival Protein YuiC from B.subtilis complexed with NAG | 分子名称: | (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Quay, D.H.X, Cole, A.R, Cryar, A, Thalassinos, K, Williams, M.A, Bhakta, S, Keep, N.H. | 登録日 | 2014-10-01 | 公開日 | 2015-07-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Structure of the stationary phase survival protein YuiC from B.subtilis. Bmc Struct.Biol., 15, 2015
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6TW4
| HumRadA22F in complex with compound 6 | 分子名称: | CALCIUM ION, DNA repair and recombination protein RadA, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | 著者 | Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | 登録日 | 2020-01-12 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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6OEX
| Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine | 分子名称: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | 登録日 | 2019-03-28 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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6TW9
| HumRadA22F in complex with CAM833 | 分子名称: | CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ... | 著者 | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | 登録日 | 2020-01-12 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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8T19
| RiPP precursor peptide recognition element (RRE) domain of Ocin-ThiF-like partner protein, PbtF, bound to an 8 residue fragment of its precursor peptide, PbtA | 分子名称: | MAGNESIUM ION, PbtA, PbtF | 著者 | Cogan, D.P, Nair, S.K, Mitchell, D.A. | 登録日 | 2023-06-02 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Discovery and validation of RRE domains To Be Published
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7OS7
| Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant | 分子名称: | 30S ribosomal protein S6,30S ribosomal protein S6 | 著者 | Wang, H, Logan, D.T, Oliveberg, M. | 登録日 | 2021-06-08 | 公開日 | 2022-06-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant To Be Published
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4WHX
| X-ray Crystal Structure of an Amino Acid Aminotransferase from Burkholderia pseudomallei Bound to the Co-factor Pyridoxal Phosphate | 分子名称: | 1,2-ETHANEDIOL, ALANINE, Branched-chain-amino-acid transaminase | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fairman, J.W, Dranow, D.M, Taylor, B.M, Lorimer, D, Edwards, T.E. | 登録日 | 2014-09-23 | 公開日 | 2014-10-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | X-ray Crystal Structure of an Amino Acid Aminotransferase from Burkholderia pseudomallei Bound to the Co-factor Pyridoxal Phosphate to be published
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5IIW
| Corkscrew assembly of SOD1 residues 28-38 without potassium iodide | 分子名称: | Superoxide dismutase [Cu-Zn] | 著者 | Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D. | 登録日 | 2016-03-01 | 公開日 | 2017-06-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS). Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6U1N
| GPCR-Beta arrestin structure in lipid bilayer | 分子名称: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, Beta-arrestin-1, Fab30 heavy chain, ... | 著者 | Staus, D.P, Hu, H, Robertson, M.J, Kleinhenz, A.L.W, Wingler, L.M, Capel, W.D, Latorraca, N.R, Lefkowitz, R.J, Skiniotis, G. | 登録日 | 2019-08-16 | 公開日 | 2020-02-26 | 最終更新日 | 2020-03-25 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structure of the M2 muscarinic receptor-beta-arrestin complex in a lipid nanodisc. Nature, 579, 2020
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8EB1
| Chim2 - Intragenic antimicrobial peptide | 分子名称: | Unconventional myosin-Ih, Transcription activator BRG1 intragenic antimicrobial chimeric peptide | 著者 | de Freitas, T.V, Oliveira, A.L, Santos, M.A, Brand, G.D. | 登録日 | 2022-08-30 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Release of immunomodulatory peptides at bacterial membrane interfaces as a novel strategy to fight microorganisms. J.Biol.Chem., 299, 2023
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8SSK
| Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains | 分子名称: | ACETATE ION, CALCIUM ION, Contact-dependent inhibitor A, ... | 著者 | Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Nhan, D.Q. | 登録日 | 2023-05-08 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains To Be Published
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6OMY
| Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, apo state | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | 登録日 | 2019-04-19 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B. J.Am.Chem.Soc., 141, 2019
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6MAW
| F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[S-methyl-6-(trifluoromethyl)-[1,1'-biphenyl]-3'-yl]oxy}oxan-3-yl]acetamide | 分子名称: | Fimbrial adhesin FmlD, N-[2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide | 著者 | Klein, R.D, Hultgren, S.J. | 登録日 | 2018-08-28 | 公開日 | 2019-09-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design. J.Med.Chem., 62, 2019
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7P81
| Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compact state) | 分子名称: | ADEP2, ATP-dependent Clp protease proteolytic subunit | 著者 | Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K. | 登録日 | 2021-07-21 | 公開日 | 2022-06-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis. Embo J., 41, 2022
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6UEN
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6O3V
| Crystal structure for RVA-VP3 | 分子名称: | 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, Protein VP3, ... | 著者 | Kumar, D, Yu, X, Wang, Z, Hu, L, Prasad, V. | 登録日 | 2019-02-27 | 公開日 | 2020-03-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | 2.7 angstrom cryo-EM structure of rotavirus core protein VP3, a unique capping machine with a helicase activity. Sci Adv, 6, 2020
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5L8F
| Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A, E62A, H65A. | 分子名称: | MAGNESIUM ION, Rru_A0973, TRIETHYLENE GLYCOL | 著者 | He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | 登録日 | 2016-06-07 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.247 Å) | 主引用文献 | Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A, E62A, H65A. To be published
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8SI6
| Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in closed state | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ... | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-04-14 | 公開日 | 2023-05-17 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.44 Å) | 主引用文献 | Structural mechanisms of TRPM7 activation and inhibition. Nat Commun, 14, 2023
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5AMB
| Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 35-42 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMYLOID BETA A4 PROTEIN, ANGIOTENSIN-CONVERTING ENZYME, ... | 著者 | Masuyer, G, Larmuth, K.M, Douglas, R.G, Sturrock, E.D, Acharya, K.R. | 登録日 | 2015-03-10 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The Kinetic and Structural Characterisation of Amyloid-Beta Metabolism by Human Angiotensin-1- Converting Enzyme (Ace) FEBS J., 283, 2016
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