7QHD
 
 | | Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | | 分子名称: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | | 登録日 | 2021-12-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023
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7MSU
 | | Crystal structure of an archaeal CNNM, MtCorB, CBS-pair domain in complex with Mg2+-ATP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Hemolysin, ... | | 著者 | Chen, Y.S, Gehring, K. | | 登録日 | 2021-05-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Crystal structure of an archaeal CorB magnesium transporter.
Nat Commun, 12, 2021
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6UFB
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8Q68
 | | Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143 | | 分子名称: | Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide | | 著者 | Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L. | | 登録日 | 2023-08-11 | | 公開日 | 2023-10-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models.
Mol.Cancer Ther., 23, 2024
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8DBY
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8DE5
 | | Structure of glyceraldehyde-3-phosphate dehydrogenase from Paracoccidioides lutzii | | 分子名称: | D-galactonic acid, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ... | | 著者 | Hernandez-Prieto, J.H, Martini, V.P, Iulek, J. | | 登録日 | 2022-06-19 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structure of glyceraldehyde-3-phosphate dehydrogenase from Paracoccidioides lutzii in complex with an aldonic sugar acid.
Biochimie, 218, 2023
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8QEB
 | | S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 7.5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ERGOSTEROL, ... | | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | | 登録日 | 2023-08-31 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7MHY
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6TY6
 | | Variant W229D/F290W-2 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) bound to 5(6)-nitrobenzotriazole (TS-analog) | | 分子名称: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ... | | 著者 | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F. | | 登録日 | 2020-01-15 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 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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7QHE
 | | Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | | 分子名称: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | | 登録日 | 2021-12-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023
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7M1U
 | | Crystal structure of an archaeal CNNM, MtCorB, R235L mutant with C-terminal deletion | | 分子名称: | Hemolysin, contains CBS domains | | 著者 | Chen, Y.S, Kozlov, G, Gehring, K. | | 登録日 | 2021-03-15 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Crystal structure of an archaeal CorB magnesium transporter.
Nat Commun, 12, 2021
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8DA3
 | | Coevolved affibody-Z domain pair LL1.c1 | | 分子名称: | Affibody LL1.FILF, Immunoglobulin G-binding protein A, MALONATE ION, ... | | 著者 | Jude, K.M, Yang, A, Garcia, K.C. | | 登録日 | 2022-06-13 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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7QI9
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8DA9
 | | Coevolved affibody-Z domain pair LL2.c3 | | 分子名称: | Affibody LL2.FIIV, GLYCEROL, Immunoglobulin G-binding protein A, ... | | 著者 | Jude, K.M, Yang, A, Garcia, K.C. | | 登録日 | 2022-06-13 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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8DA5
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7QLH
 | | Crystal structure of S-layer protein SlpA from Lactobacillus amylovorus, domain I (aa 48-213) | | 分子名称: | PHOSPHATE ION, S-layer, SODIUM ION | | 著者 | Grininger, C, Sagmeister, T, Eder, E, Vejzovic, D, Pavkov-Keller, T. | | 登録日 | 2021-12-20 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7MHZ
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8QEE
 | | S. cerevisia Niemann-Pick type C protein NCR1 in Peptidisc at pH 7.5 | | 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, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | | 登録日 | 2023-08-31 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (2.43 Å) | | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8D0Y
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7QUJ
 | | Structure of NsNEPS2, a 7S-cis-trans nepetalactone synthase | | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NsNEPS2 | | 著者 | Hernandez Lozada, N.J, Hong, B, Wood, J.C, Caputi, L, Basquin, J, Chuang, L, Kunert, M, Rodriguez Lopez, C.R, Langley, C, Zhao, D, Buell, C.R, Lichman, B.R, O'Connor, S.E. | | 登録日 | 2022-01-18 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Biocatalytic routes to stereo-divergent iridoids.
Nat Commun, 13, 2022
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7M1T
 | | Crystal structure of an archaeal CNNM, MtCorB, with C-terminal deletion in complex with Mg2+-ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Hemolysin, contains CBS domains, ... | | 著者 | Chen, Y.S, Kozlov, G, Gehring, K. | | 登録日 | 2021-03-15 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.26 Å) | | 主引用文献 | Crystal structure of an archaeal CorB magnesium transporter.
Nat Commun, 12, 2021
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8CU1
 | | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 500ns, with eightfold extrapolation of structure factor differences | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | | 著者 | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | | 登録日 | 2022-05-16 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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7U4T
 | | Human V-ATPase in state 2 with SidK and mEAK-7 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MTOR-associated protein MEAK7, ... | | 著者 | Wang, L, Fu, T.M. | | 登録日 | 2022-03-01 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Identification of mEAK-7 as a human V-ATPase regulator via cryo-EM data mining.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8CU3
 | | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 200ns, with eightfold extrapolation of structure factor differences | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | | 著者 | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | | 登録日 | 2022-05-16 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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7QJL
 | | Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor | | 分子名称: | ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Snee, M, Levy, C, Katariya, M. | | 登録日 | 2021-12-16 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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