1VPU
 
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8E59
 | | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution | | 分子名称: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-08-20 | | 公開日 | 2022-12-07 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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7EJ9
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4I8Q
 | | Structure of the aminoaldehyde dehydrogenase 1 E260A mutant from Solanum lycopersicum (SlAMADH1-E260A) | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | | 登録日 | 2012-12-04 | | 公開日 | 2013-02-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Plant ALDH10 family: identifying critical residues for substrate specificity and trapping a thiohemiacetal intermediate.
J.Biol.Chem., 288, 2013
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9IKI
 | | Bovine Heart Cytochrome c Oxidase in the Nitrous Oxide-bound Fully Reduced State | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, 1,2-ETHANEDIOL, ... | | 著者 | Muramoto, K, Ide, T, Shinzawa-Itoh, K. | | 登録日 | 2024-06-27 | | 公開日 | 2025-07-02 | | 最終更新日 | 2025-07-23 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The binding sites of carbon dioxide, nitrous oxide, and xenon reveal a putative exhaust channel for bovine cytochrome c oxidase.
J.Biol.Chem., 301, 2025
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8E57
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution | | 分子名称: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-08-20 | | 公開日 | 2022-12-07 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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7B2H
 | | Crystal structure of the methyl-coenzyme M reductase from Methanothermobacter Marburgensis derivatized with xenon | | 分子名称: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Wagner, T, Lemaire, O.N, Engilberge, S. | | 登録日 | 2020-11-27 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Crystal structure of a key enzyme for anaerobic ethane activation.
Science, 373, 2021
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1AA1
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6SIM
 | | SAD structure of Hen Egg White Lysozyme recovered by inverse beam geometry data collection and univariate analysis | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Garcia-Bonete, M.J, Katona, G. | | 登録日 | 2019-08-10 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.61018026 Å) | | 主引用文献 | Bayesian machine learning improves single-wavelength anomalous diffraction phasing.
Acta Crystallogr.,Sect.A, 75, 2019
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8E56
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone at 2.8 Angstrom resolution | | 分子名称: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-08-20 | | 公開日 | 2022-12-07 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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7L6G
 | | MbnP from Methylosinus trichosporium | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, COPPER (II) ION, ... | | 著者 | Manesis, A.C, Rosenzweig, A.C. | | 登録日 | 2020-12-23 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Copper binding by a unique family of metalloproteins is dependent on kynurenine formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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2OL1
 | | High Resolution Crystal Structures of Vaccinia Virus dUTPase | | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, ... | | 著者 | Schormann, N, Chattopadhyay, D. | | 登録日 | 2007-01-18 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structures of vaccinia virus dUTPase and its nucleotide complexes.
Acta Crystallogr.,Sect.D, 63, 2007
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7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | 登録日 | 2020-10-29 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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3MBA
 | | APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.6 ANGSTROMS RESOLUTION | | 分子名称: | FLUORIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | | 登録日 | 1989-02-22 | | 公開日 | 1990-01-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Aplysia limacina myoglobin. Crystallographic analysis at 1.6 A resolution.
J.Mol.Biol., 205, 1989
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8E58
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution | | 分子名称: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-08-20 | | 公開日 | 2022-12-07 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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6ECK
 | | Pyruvate Kinase Isoform L-type with phosphorylated Ser113 (pS113) in complex with FBP | | 分子名称: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, CITRATE ANION, ... | | 著者 | Padyana, A, Tong, S. | | 登録日 | 2018-08-08 | | 公開日 | 2019-12-04 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production.
Cell Rep, 29, 2019
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5HRS
 | | HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002 | | 分子名称: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | 著者 | Nolte, R.T. | | 登録日 | 2016-01-24 | | 公開日 | 2016-12-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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4POJ
 | | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 7-methyl UAB30 and the coactivator peptide GRIP-1 | | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Xia, G, Smith, C.D, Muccio, D.D. | | 登録日 | 2014-02-25 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
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6IK8
 | | Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,6-galactobiose | | 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, Beta-galactosidase, ... | | 著者 | Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M. | | 登録日 | 2018-10-15 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
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7ATP
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4J5B
 | | Human Cyclophilin D Complexed with an Inhibitor | | 分子名称: | 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | 著者 | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | | 登録日 | 2013-02-08 | | 公開日 | 2014-02-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
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4GZ0
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2OGH
 | | Solution structure of yeast eIF1 | | 分子名称: | Eukaryotic translation initiation factor eIF-1 | | 著者 | Reibarkh, M, del Rio, F, Yamamoto, Y, Asano, K, Wagner, G. | | 登録日 | 2007-01-05 | | 公開日 | 2007-11-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Eukaryotic Initiation Factor (eIF) 1 Carries Two Distinct eIF5-binding Faces Important for Multifactor Assembly and AUG Selection.
J.Biol.Chem., 283, 2008
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4H34
 | | Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | | 登録日 | 2012-09-13 | | 公開日 | 2013-10-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
To be Published
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4P58
 | | Crystal structure of mouse comt bound to an inhibitor | | 分子名称: | 1',3'-dimethyl-1H,1'H-3,4'-bipyrazole, Catechol O-methyltransferase | | 著者 | Lanier, M. | | 登録日 | 2014-03-15 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).
J.Med.Chem., 57, 2014
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