7MEG
 
 | | CDD-1 beta-lactamase in imidazole/MPD 30 minute avibactam complex | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2021-04-06 | | 公開日 | 2022-02-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
|
|
3LNR
 | |
6EM2
 | | Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with Fasudil | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Mueller, J.M, Heine, A, Klebe, G. | | 登録日 | 2017-10-01 | | 公開日 | 2018-10-10 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
|
|
7MEA
 | | CDD-1 beta-lactamase in imidazole/MPD 1 minute avibactam complex | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2021-04-06 | | 公開日 | 2022-02-16 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
|
|
6AS4
 | | Structure of a phage anti-CRISPR protein | | 分子名称: | NHis AcrE1 anti-crispr protein | | 著者 | Shah, M, Calmettes, C, Pawluk, A, Mejdani, M, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | | 登録日 | 2017-08-23 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
|
|
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
|
|
5FA9
 | | Bifunctional Methionine Sulfoxide Reductase AB (MsrAB) from Treponema denticola | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptide methionine sulfoxide reductase MsrA | | 著者 | Han, A, Son, J, Kim, H.-Y, Hwang, K.Y. | | 登録日 | 2015-12-11 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.302 Å) | | 主引用文献 | Essential Role of the Linker Region in the Higher Catalytic Efficiency of a Bifunctional MsrA-MsrB Fusion Protein
Biochemistry, 55, 2016
|
|
6ASB
 | | CXXC and PHD-type zinc finger regions of FBXL19 in complex with DNA | | 分子名称: | DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), F-box/LRR-repeat protein 19, ZINC ION | | 著者 | Liu, K, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-08-24 | | 公開日 | 2017-10-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
|
|
7MEB
 | | CDD-1 beta-lactamase in imidazole/MPD 2 minute avibactam complex | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2021-04-06 | | 公開日 | 2022-02-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
|
|
7MEH
 | | CDD-1 beta-lactamase in imidazole/MPD 60 minute avibactam complex | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2021-04-06 | | 公開日 | 2022-02-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
|
|
5FQ7
 | | Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron | | 分子名称: | BT_2261, BT_2262, BT_2263, ... | | 著者 | Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B. | | 登録日 | 2015-12-07 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
|
|
8SI5
 | | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in open 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 | | 実験手法 | ELECTRON MICROSCOPY (2.17 Å) | | 主引用文献 | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
|
|
1BAN
 | |
6ELS
 | | Structure of latent apple tyrosinase (MdPPO1) | | 分子名称: | COPPER (II) ION, OXYGEN ATOM, Polyphenol oxidase, ... | | 著者 | Kampatsikas, I, Bijelic, A, Pretzler, M, Rompel, A. | | 登録日 | 2017-09-29 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.346 Å) | | 主引用文献 | A Peptide-Induced Self-Cleavage Reaction Initiates the Activation of Tyrosinase.
Angew.Chem.Int.Ed.Engl., 58, 2019
|
|
6S6Q
 | | Crystal structure of the LRR ectodomain of the plant membrane receptor kinase GASSHO1/SCHENGEN3 from Arabidopsis thaliana in complex with CASPARIAN STRIP INTEGRITY FACTOR 2. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LRR receptor-like serine/threonine-protein kinase GSO1, ... | | 著者 | Okuda, S, Moretti, A, Hothorn, M. | | 登録日 | 2019-07-03 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Molecular mechanism for the recognition of sequence-divergent CIF peptides by the plant receptor kinases GSO1/SGN3 and GSO2.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7K9P
 | | Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX. | | 分子名称: | CITRIC ACID, Uridylate-specific endoribonuclease | | 著者 | Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P. | | 登録日 | 2020-09-29 | | 公開日 | 2020-10-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser.
Structure, 2022
|
|
8SI4
 | | Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in open state | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 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, CALCIUM ION, ... | | 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 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.46 Å) | | 主引用文献 | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
|
|
8SI2
 | | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in apo state | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 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, CHOLESTEROL, ... | | 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 (2.19 Å) | | 主引用文献 | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
|
|
6S7M
 | |
3LQL
 | | Human Aldose Reductase mutant T113A complexed with IDD 594 | | 分子名称: | Aldose reductase, BROMIDE ION, CITRIC ACID, ... | | 著者 | Koch, C, Heine, A, Klebe, G. | | 登録日 | 2010-02-09 | | 公開日 | 2010-12-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
|
|
8SI7
 | | Cryo-EM structure of TRPM7 in GDN detergent in complex with inhibitor VER155008 in closed state | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 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, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ... | | 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 (2.59 Å) | | 主引用文献 | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
|
|
5FPR
 | | Structure of Bacterial DNA Ligase with small-molecule ligand pyrimidin-2-amine (AT371) in an alternate binding site. | | 分子名称: | DNA LIGASE, PYRIMIDIN-2-AMINE, SULFATE ION | | 著者 | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | | 登録日 | 2015-12-02 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6EMN
 | | HtxB from Pseudomonas stutzeri in complex with phosphite to 1.25 A resolution | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Probable phosphite transport system-binding protein HtxB, ... | | 著者 | Bisson, C, Robertson, A.J, Hitchcock, A, Adams, N.B. | | 登録日 | 2017-10-03 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand.
Sci Rep, 9, 2019
|
|
7K9V
 | | Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00452 | | 分子名称: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ... | | 著者 | Kuntz, D.A, Prive, G.G. | | 登録日 | 2020-09-29 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
|
|
1BCD
 | |
