5BY9
 
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7T71
 | | Crystal Structure of Mevalonate 3,5-Bisphosphate Decarboxylase from Picrophilus Torridus | | 分子名称: | Mevalonate 3,5-bisphosphate decarboxylase, OLEIC ACID | | 著者 | Vinokur, J.M, Sawaya, M.R, Cascio, D, Collazo, M, Bowie, J.U. | | 登録日 | 2021-12-14 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Crystal structure of mevalonate 3,5-bisphosphate decarboxylase reveals insight into the evolution of decarboxylases in the mevalonate metabolic pathways.
J.Biol.Chem., 298, 2022
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7SX3
 | | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 1/2 | | 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-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | | 登録日 | 2021-11-22 | | 公開日 | 2021-12-29 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
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1C0I
 | | CRYSTAL STRUCTURE OF D-AMINO ACID OXIDASE IN COMPLEX WITH TWO ANTHRANYLATE MOLECULES | | 分子名称: | 2-AMINOBENZOIC ACID, D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Pollegioni, L, Diederichs, K, Molla, G, Umhau, S, Welte, W, Ghisla, S, Pilone, M.S. | | 登録日 | 1999-07-16 | | 公開日 | 2002-02-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Yeast d-amino Acid oxidase: structural basis of its catalytic properties
J.Mol.Biol., 324, 2002
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6V1G
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6MFX
 | | Crystal structure of a 4-domain construct of a mutant of LgrA in the substrate donation state | | 分子名称: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | 著者 | Reimer, J.M, Eivaskhani, M, Schmeing, T.M. | | 登録日 | 2018-09-12 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
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5C2T
 | | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with rhodoquinone-2 | | 分子名称: | 2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | | 登録日 | 2015-06-16 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
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7SX4
 | | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 2/2 | | 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-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | | 登録日 | 2021-11-22 | | 公開日 | 2021-12-29 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
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6MFZ
 | | Crystal structure of dimodular LgrA in a condensation state | | 分子名称: | 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A | | 著者 | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | | 登録日 | 2018-09-12 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (6 Å) | | 主引用文献 | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
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1C3S
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8W5A
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8W59
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6URZ
 | | Barrier-to-autointegration factor soaked in methanol: 1 of 14 in MSCS set | | 分子名称: | Barrier-to-autointegration factor, ETHANOL, METHANOL | | 著者 | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | 登録日 | 2019-10-24 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | | 主引用文献 | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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5FTQ
 | | Crystal structure of the ALK kinase domain in complex with Cmpd 17 | | 分子名称: | ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE | | 著者 | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | | 登録日 | 2016-01-14 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
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6LKH
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6EYA
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8JJE
 | | RBD of SARS-CoV2 spike protein with ACE2 decoy | | 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, Angiotensin-converting enzyme 2, ... | | 著者 | Kishikawa, J, Hirose, M, Kato, T, Okamoto, T. | | 登録日 | 2023-05-30 | | 公開日 | 2023-12-27 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | An inhaled ACE2 decoy confers protection against SARS-CoV-2 infection in preclinical models.
Sci Transl Med, 15, 2023
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1C2R
 | | MOLECULAR STRUCTURE OF CYTOCHROME C2 ISOLATED FROM RHODOBACTER CAPSULATUS DETERMINED AT 2.5 ANGSTROMS RESOLUTION | | 分子名称: | CYTOCHROME C2, HEME C | | 著者 | Benning, M.M, Wesenberg, G, Caffrey, M.S, Bartsch, R.G, Meyer, T.E, Cusanovich, M.A, Rayment, I, Holden, H.M. | | 登録日 | 1991-03-19 | | 公開日 | 1992-01-15 | | 最終更新日 | 2021-03-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Molecular structure of cytochrome c2 isolated from Rhodobacter capsulatus determined at 2.5 A resolution.
J.Mol.Biol., 220, 1991
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6V1T
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6URN
 | | Barrier-to-autointegration factor t-butanol: 1 of 14 in MSCS set | | 分子名称: | Barrier-to-autointegration factor, ETHANOL | | 著者 | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | 登録日 | 2019-10-23 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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6EYB
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6US0
 | | Barrier-to-autointegration factor soaked in R,S,R-bisfuranol (RSR): 1 of 14 in MSCS set | | 分子名称: | Barrier-to-autointegration factor, ETHANOL | | 著者 | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | 登録日 | 2019-10-24 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | | 主引用文献 | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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6B5L
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6B5S
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6F1N
 | | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | | 分子名称: | 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid, Heat shock protein HSP 90-alpha, SULFATE ION | | 著者 | Musil, D, Lehmann, M, Eggenweiler, H.-M. | | 登録日 | 2017-11-22 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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