7NT3
 
 | | Crystal structure of SARS CoV2 main protease in complex with FSCU015 | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-08 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.325 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8OTS
 | | OCT4 and MYC-MAX co-bound to a nucleosome | | 分子名称: | DNA (127-MER), Green fluorescent protein,POU domain, class 5, ... | | 著者 | Michael, A.K, Stoos, L, Kempf, G, Cavadini, S, Thoma, N. | | 登録日 | 2023-04-21 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
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6RUJ
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4Z9C
 | | EcPltAB Oxidized | | 分子名称: | PHOSPHATE ION, Pertussis toxin-like subunit ArtA, Subtilase cytotoxin subunit B-like protein | | 著者 | Littler, D.R, Johnson, M.D, Summers, R.J, Schembri, M.A, Rossjohn, J, Beddoe, T. | | 登録日 | 2015-04-10 | | 公開日 | 2016-10-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure and function analyses of a pertussis-like toxin from pathogenic Escherichia coli reveal a distinct mechanism of inhibition of trimeric G proteins.
J. Biol. Chem., 2017
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7NTV
 | | Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map) | | 分子名称: | 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-10 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.065 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6RVG
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1AEM
 | | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (IMIDAZO[1,2-A]PYRIDINE) | | 分子名称: | CYTOCHROME C PEROXIDASE, IMIDAZO[1,2-A]PYRIDINE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | 登録日 | 1997-02-25 | | 公開日 | 1997-09-04 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
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6G94
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7NUK
 | | Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA event map) | | 分子名称: | 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5HYM
 | | 3-Hydroxybenzoate 6-hydroxylase from Rhodococcus jostii in complex with phosphatidylinositol | | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Phosphatidylinositol, ... | | 著者 | Orru, R, Montersino, S, Mattevi, A, van Berkel, W.J.H. | | 登録日 | 2016-02-01 | | 公開日 | 2017-02-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 3-Hydroxybenzoate 6-Hydroxylase from Rhodococcus jostii RHA1 Contains a Phosphatidylinositol Cofactor.
Front Microbiol, 8, 2017
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6GBS
 | | Crystal Structure of the C. themophilum Scavenger Decapping Enzyme DcpS apo form | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Putative mRNA decapping protein | | 著者 | Fuchs, A.-L, Neu, A, Sprangers, R. | | 登録日 | 2018-04-16 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.946 Å) | | 主引用文献 | Molecular basis of the selective processing of short mRNA substrates by the DcpS mRNA decapping enzyme.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8CXE
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6RXA
 | | EDDS lyase variant D290M/Y320M with bound formate | | 分子名称: | Argininosuccinate lyase, FORMIC ACID, GLYCEROL, ... | | 著者 | Grandi, E, Poelarends, G.J, Thunnissen, A.M.W.H. | | 登録日 | 2019-06-07 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Engineered C-N Lyase: Enantioselective Synthesis of Chiral Synthons for Artificial Dipeptide Sweeteners.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8BM3
 | | H207A mutant of E. coli PgpB, a PAP2 type phosphatidyl glycerol phosphate and C55-PP phosphatase, in complex with farnesyl pyrophosphate | | 分子名称: | FARNESYL DIPHOSPHATE, Phosphatidylglycerophosphatase B | | 著者 | Delbrassine, F, El Ghachi, M, Lambion, A, Herman, R, Kerff, F. | | 登録日 | 2022-11-10 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | H207A mutant of E. coli PgpB, a PAP2 type phosphatidyl glycerol phosphate and C55-PP phosphatase, in complex with farnesyl pyrophosphate
To Be Published
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5FRA
 | | CBM40_CPF0721-6'SL | | 分子名称: | ACETATE ION, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ... | | 著者 | Ribeiro, J.P, Pau, W, Pifferi, C, Renaudet, O, Varrot, A, Mahal, L.K, Imberty, A. | | 登録日 | 2015-12-16 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Characterization of a High-Affinity Sialic Acid-Specific Cbm40 from Clostridium Perfringens and Engineering of a Divalent Form.
Biochem.J., 473, 2016
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4ZDY
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with itraconazole | | 分子名称: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. | | 登録日 | 2015-04-20 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
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7OG6
 | | Structure of Alternanthera Mosaic VLP by cryoEM | | 分子名称: | Coat protein, RNA (5'-R(P*UP*UP*UP*UP*U)-3') | | 著者 | Byrne, M.J, Ranson, N.A, Lomonossoff, G.P, Thuenemann, E.C. | | 登録日 | 2021-05-06 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | A Replicating Viral Vector Greatly Enhances Accumulation of Helical Virus-Like Particles in Plants.
Viruses, 13, 2021
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6FV5
 | | QTRT2, the non-catalytic subunit of murine tRNA-Guanine Transglycosylase | | 分子名称: | DI(HYDROXYETHYL)ETHER, MALONATE ION, Queuine tRNA-ribosyltransferase accessory subunit 2, ... | | 著者 | Behrens, C, Heine, A, Reuter, K. | | 登録日 | 2018-03-01 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.179 Å) | | 主引用文献 | Homodimer Architecture of QTRT2, the Noncatalytic Subunit of the Eukaryotic tRNA-Guanine Transglycosylase.
Biochemistry, 57, 2018
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7KN3
 | | Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ... | | 著者 | Liu, H, Zhu, X, Wilson, I.A. | | 登録日 | 2020-11-04 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
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5WMW
 | | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | | 分子名称: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | | 登録日 | 2017-07-31 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
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7KN4
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8WJY
 | | PKMYT1_Cocrystal_Cpd 4 | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | 著者 | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | | 登録日 | 2023-09-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 67, 2024
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6FVH
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1A7L
 | | DOMINANT B-CELL EPITOPE FROM THE PRES2 REGION OF HEPATITIS B VIRUS IN THE FORM OF AN INSERTED PEPTIDE SEGMENT IN MALTODEXTRIN-BINDING PROTEIN | | 分子名称: | MALE-B363, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Saul, F.A, Vulliez-Lenormand, B, Lema, F, Bentley, G.A. | | 登録日 | 1998-03-16 | | 公開日 | 1998-06-17 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of a dominant B-cell epitope from the preS2 region of hepatitis B virus in the form of an inserted peptide segment in maltodextrin-binding protein.
J.Mol.Biol., 280, 1998
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7RT5
 | | Crystal structure of KRAS G12D with compound 36 (4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine) bound | | 分子名称: | 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | | 登録日 | 2021-08-12 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
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