6NET
 
 | | FAD-dependent monooxygenase TropB from T. stipitatus substrate complex | | 分子名称: | 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ... | | 著者 | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | | 登録日 | 2018-12-18 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
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7QX9
 | | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 65 | | 分子名称: | 3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione, Bromodomain adjacent to zinc finger domain protein 2A | | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | 登録日 | 2022-01-26 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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8FI7
 | | Structure of Lettuce C20T bound to DFHO | | 分子名称: | (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ... | | 著者 | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | 登録日 | 2022-12-15 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
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6PS3
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Carvedilol. | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, CHOLESTEROL, ... | | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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6PYD
 | | Structure of 3E9 antibody Fab bound to marinobufagenin | | 分子名称: | (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, 3E9 anti-marinobufagenin antibody Fab heavy chain, recloned with human IgG4 C region, ... | | 著者 | Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J. | | 登録日 | 2019-07-29 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7QGG
 | | Neuronal RNA granules are ribosome complexes stalled at the pre-translocation state | | 分子名称: | 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | 著者 | Pulk, A, Kipper, K, Mansour, A. | | 登録日 | 2021-12-08 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | Neuronal RNA granules are ribosome complexes stalled at the pre-translocation state.
J.Mol.Biol., 434, 2022
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6PS6
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Timolol. | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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8FR7
 | | A hinge glycan regulates spike bending and impacts coronavirus infectivity | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-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 | Pintilie, G, Wilson, E, Chmielewski, D, Schmid, M.F, Jin, J, Chen, M, Singharoy, A, Chiu, W. | | 登録日 | 2023-01-06 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | A hinge glycan regulates spike bending and impacts coronavirus infectivity
To Be Published
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7PRQ
 | | Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with choline. | | 分子名称: | 1,2-ETHANEDIOL, CHOLINE ION, GLYCEROL, ... | | 著者 | Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T. | | 登録日 | 2021-09-22 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Mbio, 13, 2022
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8FE5
 | | Structure of J-PKAc chimera complexed with Aplithianine B | | 分子名称: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | 登録日 | 2022-12-05 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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6PUA
 | | The 2.0 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Kim, Y, Maltseva, N, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-07-18 | | 公開日 | 2019-09-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species.
Protein Sci., 29, 2020
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7PUS
 | | ERK5 in complex with Pyrrole Carboxamide scaffold | | 分子名称: | 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide, Mitogen-activated protein kinase 7 | | 著者 | Tucker, J.A, Martin, M.P, Endicott, J.A, Noble, M.E.N. | | 登録日 | 2021-09-30 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor.
J.Med.Chem., 65, 2022
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6NU9
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6PZF
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6QDJ
 | | Molecular features of the UNC-45 chaperone critical for binding and folding muscle myosin | | 分子名称: | 1,4-BUTANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Meinhart, A, Clausen, T, Arnese, R. | | 登録日 | 2019-01-02 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.884 Å) | | 主引用文献 | Molecular features of the UNC-45 chaperone critical for binding and folding muscle myosin.
Nat Commun, 10, 2019
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8FC4
 | | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and erythromycin at 2.45A resolution | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | 著者 | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | | 登録日 | 2022-12-01 | | 公開日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
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6NEU
 | | FAD-dependent monooxygenase TropB from T. stipitatus R206Q variant | | 分子名称: | CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | | 登録日 | 2018-12-18 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
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7Q7A
 | | Room temperature structure of RNase A at 120 MPa helium gas pressure in a sapphire capillary | | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | 著者 | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | 登録日 | 2021-11-09 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Fixed-target high-pressure macromolecular crystallography
To Be Published
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6O2P
 | | Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (CFTR) | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | 著者 | Liu, F, Zhang, Z, Chen, J, Levit, A, Shoichet, B. | | 登録日 | 2019-02-24 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural identification of a hotspot on CFTR for potentiation.
Science, 364, 2019
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7Q77
 | | Room temperature structure of RNase A at 50 MPa helium gas pressure in a sapphire capillary | | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | 著者 | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | 登録日 | 2021-11-09 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Fixed-target high-pressure macromolecular crystallography
To Be Published
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8FQQ
 | | ADC-162 in complex with boronic acid transition state inhibitor MB076 | | 分子名称: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, GLYCINE, ... | | 著者 | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | | 登録日 | 2023-01-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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7Q79
 | | Room temperature structure of RNase A at 100 MPa helium gas pressure in a sapphire capillary | | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | 著者 | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | 登録日 | 2021-11-09 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Fixed-target high-pressure macromolecular crystallography
To Be Published
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7Q75
 | | Room temperature structure of RNase A at atmospheric pressure | | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | 著者 | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | 登録日 | 2021-11-09 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Fixed-target high-pressure macromolecular crystallography
To Be Published
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7Q78
 | | Room temperature structure of RNase A at 72 MPa helium gas pressure in a sapphire capillary | | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | 著者 | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | 登録日 | 2021-11-09 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Fixed-target high-pressure macromolecular crystallography
To Be Published
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7Q7B
 | | Room temperature structure of RNase A at atmospheric pressure in a sapphire capillary after high helium gas pressure release | | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | 著者 | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | 登録日 | 2021-11-09 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Fixed-target high-pressure macromolecular crystallography
To Be Published
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