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PDB: 1278 件

7MLF
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7
分子名称: 3C-like proteinase, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide
著者Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M.
登録日2021-04-28
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
7MLG
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63
分子名称: (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase
著者Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M.
登録日2021-04-28
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
5WC4
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Crystal structure of biphenyl synthase from Malus domestic complexed with benzoyl-CoA
分子名称: (3R)-butane-1,3-diol, BIS3 biphenyl synthase, benzoyl coenzyme A
著者Stewart Jr, C.E, Noel, J.P.
登録日2017-06-29
公開日2017-12-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Molecular architectures of benzoic acid-specific type III polyketide synthases.
Acta Crystallogr D Struct Biol, 73, 2017
7NFU
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Crystal structure of C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc
分子名称: GLYCEROL, Nucleoid occlusion protein, SULFATE ION
著者Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K.
登録日2021-02-07
公開日2021-02-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc.
Mol.Cell, 81, 2021
7NG0
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Crystal structure of N- and C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc
分子名称: Nucleoid occlusion protein, SULFATE ION
著者Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K.
登録日2021-02-08
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc.
Mol.Cell, 81, 2021
5UVL
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Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
登録日2017-02-20
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5VYA
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S. cerevisiae Hsp104:casein complex, Extended Conformation
分子名称: Alpha-S1-casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
登録日2017-05-24
公開日2017-07-05
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
5VJH
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Closed State CryoEM Reconstruction of Hsp104:ATPyS and FITC casein
分子名称: FITC casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
登録日2017-04-19
公開日2017-07-05
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
7M4U
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A. baumannii Ribosome-Eravacycline complex: 30S
分子名称: 16s Ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4Z
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A. baumannii Ribosome-Eravacycline complex: hpf-bound 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7LEW
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BU of 7lew by Molmil
Crystal structure of UBE2G2 in complex with the UBE2G2-binding region of AUP1
分子名称: Lipid droplet-regulating VLDL assembly factor AUP1, Ubiquitin-conjugating enzyme E2 G2
著者Liang, Y.-H, Smith, C.E, Tsai, Y.C, Weissman, A.M, Ji, X.
登録日2021-01-15
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.736 Å)
主引用文献A structurally conserved site in AUP1 binds the E2 enzyme UBE2G2 and is essential for ER-associated degradation.
Plos Biol., 19, 2021
7M4V
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A. baumannii Ribosome-Eravacycline complex: 50S
分子名称: 23s ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4X
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A. baumannii Ribosome-Eravacycline complex: P-site tRNA 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4W
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BU of 7m4w by Molmil
A. baumannii Ribosome-Eravacycline complex: Empty 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4Y
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BU of 7m4y by Molmil
A. baumannii Ribosome-Eravacycline complex: E-site tRNA 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7LQ6
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BU of 7lq6 by Molmil
CryoEM structure of Escherichia coli PBP1b
分子名称: Penicillin-binding protein 1B
著者Caveney, N.A, Workman, S.D, Yan, R, Atkinson, C.E, Yu, Z, Strynadka, N.C.J.
登録日2021-02-13
公開日2021-05-26
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献CryoEM structure of the antibacterial target PBP1b at 3.3 angstrom resolution.
Nat Commun, 12, 2021
5UVK
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Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
分子名称: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
著者Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
登録日2017-02-20
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
Iucrj, 4, 2017
5VY8
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S. cerevisiae Hsp104-ADP complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 104
著者Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
登録日2017-05-24
公開日2017-07-05
最終更新日2018-08-15
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
8FJV
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Human GAR transformylase in complex with GAR substrate and AGF362 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-20
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
3ZT7
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GlgE isoform 1 from Streptomyces coelicolor with beta-cyclodextrin and maltose bound
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-07-01
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
8FJX
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Human GAR transformylase in complex with GAR substrate and AGF320 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-20
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
8FJY
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Human GAR transformylase in complex with GAR substrate and AGF291 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-20
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
3ZT5
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GlgE isoform 1 from Streptomyces coelicolor with maltose bound
分子名称: PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-07-01
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
8FJW
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Human GAR transformylase in complex with GAR substrate and AGF347 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-20
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
8FJT
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Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF362 inhibitor
分子名称: GLYCINE, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, ...
著者Katinas, J.M, Dann III, C.E.
登録日2022-12-20
公開日2023-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023

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件を2024-06-26に公開中

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