6X3C
 
 | | Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F1037 (47) | | 分子名称: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Chaires, H.A, Fraser, J.S. | | 登録日 | 2020-05-21 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
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4RK0
 | | Crystal structure of LacI family transcriptional regulator from Enterococcus faecalis V583, Target EFI-512923, with bound ribose | | 分子名称: | LacI family sugar-binding transcriptional regulator, alpha-D-ribofuranose | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2014-10-11 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of LacI Transcriptional Regulator Ef_2962 from Enterococcus faecalis V583, Target EFI-512923
To be Published
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4RS0
 | | Crystal Structure of Murine H90W Cyclooxygenase-2 Complexed with S-ibuprofen | | 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, IBUPROFEN, ... | | 著者 | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | | 登録日 | 2014-11-06 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.807 Å) | | 主引用文献 | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015
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4RYI
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6WLC
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-5'-Monophosphate | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | 著者 | Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Chang, C, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-04-19 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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6WYA
 | | RTX (Reverse Transcription Xenopolymerase) in complex with a DNA duplex and dAMPNPP | | 分子名称: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W. | | 登録日 | 2020-05-12 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | How a B family DNA polymerase has been evolved to copy RNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WMC
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4S2X
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6X3J
 | | Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F0224 (46) | | 分子名称: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Chaires, H.A, Fraser, J.S. | | 登録日 | 2020-05-21 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
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6X40
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus picrotoxin | | 分子名称: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | | 登録日 | 2020-05-21 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
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6X5B
 | | Symmetric model of CD4- and 17-bound B41 HIV-1 Env SOSIP in complex with small molecule GO52 | | 分子名称: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | | 登録日 | 2020-05-25 | | 公開日 | 2020-10-21 | | 最終更新日 | 2020-12-09 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Cell Rep, 33, 2020
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4RKQ
 | | Crystal structure of LacI family transcriptional regulator from Arthrobacter sp. FB24, target EFI-560007 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2014-10-13 | | 公開日 | 2014-11-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.903 Å) | | 主引用文献 | Crystal Structure of LacI Transcriptional Regulator PurR from Arthrobacter Sp, Target Nysgxrc 11027R
To be Published
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6WP0
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4RK7
 | | Crystal structure of LacI family transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926, with bound sucrose | | 分子名称: | Glucose-resistance amylase regulator, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2014-10-11 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926
To be Published
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6WRH
 | | The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant | | 分子名称: | CHLORIDE ION, GLYCEROL, Non-structural protein 3, ... | | 著者 | Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Welk, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-04-29 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
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6YWX
 | | The structure of the mitoribosome from Neurospora crassa with tRNA bound to the E-site | | 分子名称: | 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ... | | 著者 | Amunts, A, Itoh, Y, Naschberger, A. | | 登録日 | 2020-04-30 | | 公開日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
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6WYB
 | | RTX (Reverse Transcription Xenopolymerase) in complex with an RNA/DNA hybrid | | 分子名称: | 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA polymerase, ... | | 著者 | Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W. | | 登録日 | 2020-05-12 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | How a B family DNA polymerase has been evolved to copy RNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4RYE
 | | The crystal structure of D-ALANYL-D-ALANINE CARBOXYPEPTIDASE from Mycobacterium tuberculosis H37Rv | | 分子名称: | D-alanyl-D-alanine carboxypeptidase | | 著者 | Cuff, M, Tan, K, Hatzos-Skintges, C, Jedrzejczak, R, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | 登録日 | 2014-12-15 | | 公開日 | 2015-01-28 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | The crystal structure of D-ALANYL-D-ALANINE CARBOXYPEPTIDASE from Mycobacterium tuberculosis H37Rv
To be Published
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6WP2
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6X1Y
 | | Mre11 dimer in complex with small molecule modulator PFMI | | 分子名称: | (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclease SbcCD subunit D | | 著者 | Arvai, A.S, Moiani, D, Tainer, J.A. | | 登録日 | 2020-05-19 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response.
Prog.Biophys.Mol.Biol., 163, 2021
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6WT7
 | | Structure of a metazoan TIR-STING receptor from C. gigas in complex with 2',3'-cGAMP | | 分子名称: | Metazoan TIR-STING fusion, cGAMP | | 著者 | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | | 登録日 | 2020-05-01 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | STING cyclic dinucleotide sensing originated in bacteria.
Nature, 586, 2020
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6WYD
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | | 著者 | Khan, J.A. | | 登録日 | 2020-05-12 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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6WEF
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4S3R
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6WJ5
 | | Structure of human TRPA1 in complex with inhibitor GDC-0334 | | 分子名称: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | | 著者 | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | | 登録日 | 2020-04-11 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
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