5EQQ
 
 | | Crystal structure of HCV NS3/4A WT protease in complex with 5172-Linear (MK-5172 linear analogue) | | 分子名称: | NS3 protease, SULFATE ION, ZINC ION, ... | | 著者 | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | | 登録日 | 2015-11-13 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
Acs Chem.Biol., 11, 2016
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6Z1J
 | | Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV LSP co-crystallization with spheroidene | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, ... | | 著者 | Gabdulkhakov, A.G, Fufina, T.Y, Vasilieva, L.G, Betzel, C, Selikhanov, G.K. | | 登録日 | 2020-05-13 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center.
Iucrj, 7, 2020
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6Z2X
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6Z44
 | | Crystal structure of the cAMP-dependent protein kinase A in complex with phenol | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ... | | 著者 | Oebbeke, M, Heine, A, Klebe, G. | | 登録日 | 2020-05-22 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZHC
 | | PROTAC6 mediated complex of VHL:EloB:EloC and Bcl-xL | | 分子名称: | 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1, ... | | 著者 | Chung, C. | | 登録日 | 2020-06-22 | | 公開日 | 2020-08-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural Insights into PROTAC-Mediated Degradation of Bcl-xL.
Acs Chem.Biol., 15, 2020
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6Z47
 | | Smooth muscle myosin shutdown state heads region | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin heavy chain 11, ... | | 著者 | Scarff, C.A, Carrington, G, Casas Mao, D, Chalovich, J.M, Knight, P.J, Ranson, N.A, Peckham, M. | | 登録日 | 2020-05-22 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (6.3 Å) | | 主引用文献 | Structure of the shutdown state of myosin-2.
Nature, 588, 2020
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1YEA
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6ZI4
 | | Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (a) structure | | 分子名称: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | 著者 | Baath, P, Dods, R, Braenden, G, Neutze, R. | | 登録日 | 2020-06-24 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
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6ZIG
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8WVD
 | | Crystal structure of Glycosyltransferase in complex with UD1 | | 分子名称: | Glycosyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | | 著者 | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | | 登録日 | 2023-10-23 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Enzymatic Synthesis of Novel Terpenoid Glycoside Derivatives Decorated with N -Acetylglucosamine Catalyzed by UGT74AC1.
J.Agric.Food Chem., 72, 2024
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5EFR
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5EG2
 | | SET7/9 N265A in complex with AdoHcy and TAF10 peptide | | 分子名称: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ... | | 著者 | Kroner, G.M, Fick, R.J, Trievel, R.C. | | 登録日 | 2015-10-26 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Sulfur-Oxygen Chalcogen Bonding Mediates AdoMet Recognition in the Lysine Methyltransferase SET7/9.
Acs Chem.Biol., 11, 2016
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5EHC
 | | Co-crystal structure of eIF4E with nucleotide mimetic inhibitor. | | 分子名称: | 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E | | 著者 | Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2015-10-28 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
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5EG9
 | | The cap binding site of influenza virus protein PB2 as a drug target | | 分子名称: | Polymerase basic protein 2 | | 著者 | Severin, C, Rocha de Moura, T, Liu, Y, Li, K, Zheng, X, Luo, M. | | 登録日 | 2015-10-26 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The cap-binding site of influenza virus protein PB2 as a drug target.
Acta Crystallogr D Struct Biol, 72, 2016
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7TF2
 | | Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I spike protein | | 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, Spike glycoprotein | | 著者 | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | | 登録日 | 2022-01-06 | | 公開日 | 2022-03-30 | | 実験手法 | ELECTRON MICROSCOPY (3.62 Å) | | 主引用文献 | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
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6YY5
 | | Crystal structure of the ferric enterobactin receptor (PfeA) in complex with TCV_L5 | | 分子名称: | FE (III) ION, Ferric enterobactin receptor, ~{N}-[2-[[(2~{S})-3-[[(2~{S})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide | | 著者 | Naismith, J.H, Moynie, L.M. | | 登録日 | 2020-05-04 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.717 Å) | | 主引用文献 | Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
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5EIA
 | | mACHE-anti TZ2PA5 complex from a 1:6 mixture of the syn/anti isomers | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-29 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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7TF0
 | | Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein in complex with human ACE2 | | 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, Processed angiotensin-converting enzyme 2, ... | | 著者 | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | | 登録日 | 2022-01-06 | | 公開日 | 2022-03-30 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
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6YYZ
 | | tRNA-Guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | 分子名称: | 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one, Queuine tRNA-ribosyltransferase, ZINC ION | | 著者 | Nguyen, A, Heine, A, Klebe, G. | | 登録日 | 2020-05-06 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
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6YZ3
 | | PqsR (MvfR) in complex with antagonist 19 | | 分子名称: | 1,2-ETHANEDIOL, 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, LysR family transcriptional regulator | | 著者 | Richardson, W.K, Emsley, J. | | 登録日 | 2020-05-06 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
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5EJF
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5EJQ
 | | Structure of Dictyostelium Discoideum Myosin VII MyTH4-FERM MF1 domain, mutant 2 | | 分子名称: | GLUTAMIC ACID, GLYCINE, Myosin-I heavy chain, ... | | 著者 | Planelles-Herrero, V.J, Sirkia, H, Sourigues, Y, Titus, M.A, Houdusse, A. | | 登録日 | 2015-11-02 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Myosin MyTH4-FERM structures highlight important principles of convergent evolution.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6T8L
 | | Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 with Man9GlcNAc product in P212121 | | 分子名称: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase F1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E. | | 登録日 | 2019-10-24 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides.
Nat Commun, 11, 2020
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6YZA
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7TEX
 | | Cryo-EM structure of SARS-CoV-2 Delta (B.1.617.2) spike protein in complex with human ACE2 | | 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, Processed angiotensin-converting enzyme 2, ... | | 著者 | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | | 登録日 | 2022-01-06 | | 公開日 | 2022-03-30 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
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