6TWW
 
 | | Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | | 分子名称: | ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ... | | 著者 | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | | 登録日 | 2020-01-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
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6TXD
 | | Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | | 分子名称: | ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ... | | 著者 | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | | 登録日 | 2020-01-14 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
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6U8N
 | | Human IMPDH2 treated with ATP, IMP, and NAD+. Fully extended filament segment reconstruction. | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | | 著者 | Johnson, M.C, Kollman, J.M. | | 登録日 | 2019-09-05 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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6TJV
 | | Structure of the NDH-1MS complex from Thermosynechococcus elongatus | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, BETA-CAROTENE, ... | | 著者 | Schuller, J.M, Saura, P, Thiemann, J, Schuller, S.K, Gamiz-Hernandez, A.P, Kurisu, G, Nowaczyk, M.M, Kaila, V.R.I. | | 登録日 | 2019-11-27 | | 公開日 | 2020-02-19 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Redox-coupled proton pumping drives carbon concentration in the photosynthetic complex I.
Nat Commun, 11, 2020
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1AL2
 | | P1/MAHONEY POLIOVIRUS, SINGLE SITE MUTANT V1160I | | 分子名称: | MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE | | 著者 | Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M. | | 登録日 | 1997-06-09 | | 公開日 | 1997-11-19 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural studies of poliovirus mutants that overcome receptor defects.
Nat.Struct.Biol., 4, 1997
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6TW1
 | | Bat Influenza A polymerase termination complex with pyrophosphate using 44-mer vRNA template with mutated oligo(U) sequence | | 分子名称: | 5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | 著者 | Wandzik, J.M, Kouba, T, Cusack, S. | | 登録日 | 2020-01-11 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 2020
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6U0X
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS Q123D at cryogenic temperature | | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | 著者 | Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G. | | 登録日 | 2019-08-15 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
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6U1V
 | | Crystal structure of acyl-ACP/acyl-CoA dehydrogenase from allylmalonyl-CoA and FK506 biosynthesis, TcsD | | 分子名称: | Acyl-CoA dehydrogenase domain-containing protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE | | 著者 | Blake-Hedges, J.M, Pereira, J.H, Barajas, J.F, Adams, P.D, Keasling, J.D. | | 登録日 | 2019-08-16 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Mechanism of Regioselectivity in an Unusual Bacterial Acyl-CoA Dehydrogenase.
J.Am.Chem.Soc., 142, 2020
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6UDQ
 | | Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament end reconstruction. | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | | 著者 | Johnson, M.C, Kollman, J.M. | | 登録日 | 2019-09-19 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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6ULU
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6U7H
 | | Cryo-EM structure of the HCoV-229E spike glycoprotein | | 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, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Li, Z, Benlekbir, S, Rubinstein, J.L, Rini, J.M. | | 登録日 | 2019-09-02 | | 公開日 | 2019-11-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | The human coronavirus HCoV-229E S-protein structure and receptor binding.
Elife, 8, 2019
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6TCN
 | | Crystal structure of the omalizumab Fab - crystal form II | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Mitropoulou, A.N, Ceska, T, Beavil, A.J, Henry, A.J, McDonnell, J.M, Sutton, B.J, Davies, A.M. | | 登録日 | 2019-11-06 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Engineering the Fab fragment of the anti-IgE omalizumab to prevent Fab crystallization and permit IgE-Fc complex crystallization.
Acta Crystallogr.,Sect.F, 76, 2020
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6S1B
 | | Crystal Structure of DYRK1A with small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | | 登録日 | 2019-06-18 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain
To be published
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6S1I
 | | Crystal Structure of DYRK1A with small molecule inhibitor | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | | 登録日 | 2019-06-18 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6RZ5
 | | XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ... | | 著者 | Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V. | | 登録日 | 2019-06-12 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs.
Sci Adv, 5, 2019
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6U7E
 | | HCoV-229E RBD Class III in complex with human APN | | 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, Aminopeptidase N, ... | | 著者 | Tomlinson, A.C.A, Li, Z, Rini, J.M. | | 登録日 | 2019-09-02 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The human coronavirus HCoV-229E S-protein structure and receptor binding.
Elife, 8, 2019
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6U8E
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6UE0
 | | Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate | | 分子名称: | 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION | | 著者 | Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P. | | 登録日 | 2019-09-20 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens.
Febs Lett., 594, 2020
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6UDO
 | | Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament segment reconstruction. | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | | 著者 | Johnson, M.C, Kollman, J.M. | | 登録日 | 2019-09-19 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | | 主引用文献 | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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6UDP
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1AR7
 | | P1/MAHONEY POLIOVIRUS, DOUBLE MUTANT P1095S + H2142Y | | 分子名称: | MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE | | 著者 | Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M. | | 登録日 | 1997-08-11 | | 公開日 | 1997-12-03 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural studies of poliovirus mutants that overcome receptor defects.
Nat.Struct.Biol., 4, 1997
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6SKG
 | | Cryo-EM Structure of T. kodakarensis 70S ribosome in TkNat10 deleted strain | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Matzov, D, Sas-Chen, A, Thomas, J.M, Santangelo, T, Meier, J.L, Schwartz, S, Shalev-Benami, M. | | 登録日 | 2019-08-15 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Dynamic RNA acetylation revealed by quantitative cross-evolutionary mapping.
Nature, 583, 2020
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6SON
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6SP4
 | | KEAP1 IN COMPLEX WITH COMPOUND 23 | | 分子名称: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1 | | 著者 | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | 登録日 | 2019-08-30 | | 公開日 | 2020-06-03 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
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1ASJ
 | | P1/MAHONEY POLIOVIRUS, AT CRYOGENIC TEMPERATURE | | 分子名称: | MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE | | 著者 | Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M. | | 登録日 | 1997-08-11 | | 公開日 | 1997-12-03 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural studies of poliovirus mutants that overcome receptor defects.
Nat.Struct.Biol., 4, 1997
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