7UT1
 
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1RNZ
 | | RIBONUCLEASE A CRYSTALLIZED FROM 2.5M SODIUM CHLORIDE, 3.3M SODIUM FORMATE | | 分子名称: | CHLORIDE ION, RIBONUCLEASE A | | 著者 | Fedorov, A.A, Josph-Mccarthy, D, Fedorov, E.V, Sirakova, D, Graf, I, Almo, S.C. | | 登録日 | 1996-11-08 | | 公開日 | 1997-04-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Ionic interactions in crystalline bovine pancreatic ribonuclease A.
Biochemistry, 35, 1996
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1H6D
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4ZAB
 | | Structure of A. niger Fdc1 in complex with alpha-fluoro cinnamic acid | | 分子名称: | (2Z)-2-fluoro-3-phenylprop-2-enoic acid, 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, ... | | 著者 | Payne, K.A.P, Leys, D. | | 登録日 | 2015-04-13 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
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4ZAW
 | | Structure of UbiX in complex with reduced prenylated FMN | | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, PHOSPHATE ION, Probable aromatic acid decarboxylase, ... | | 著者 | White, M.D, Leys, D. | | 登録日 | 2015-04-14 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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6IZH
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1GZO
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4ETA
 | | Lysozyme, room temperature, 400 kGy dose | | 分子名称: | CHLORIDE ION, Lysozyme C | | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | 登録日 | 2012-04-24 | | 公開日 | 2012-06-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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1H4K
 | | Sulfurtransferase from Azotobacter vinelandii in complex with hypophosphite | | 分子名称: | 1,2-ETHANEDIOL, HYPOPHOSPHITE, SULFATE ION, ... | | 著者 | Bordo, D, Forlani, F, Spallarossa, A, Colnaghi, R, Carpen, A, Pagani, S, Bolognesi, M. | | 登録日 | 2001-05-11 | | 公開日 | 2002-05-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | A Persulfurated Cysteine Promotes Active Site Reactivity in Azotobacter Vinelandii Rhodanse
Biol.Chem., 382, 2001
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1H6A
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4ZA8
 | | Crystal structure of A niger Fdc1 in complex with penta-fluorocinnamic acid | | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, MANGANESE (II) ION, ... | | 著者 | Payne, K.A.P, Leys, D. | | 登録日 | 2015-04-13 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
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4ZAL
 | | Structure of UbiX E49Q mutant in complex with reduced FMN and dimethylallyl monophosphate | | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, THIOCYANATE ION, ... | | 著者 | White, M.D, Leys, D. | | 登録日 | 2015-04-13 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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1MS6
 | | Dipeptide Nitrile Inhibitor Bound to Cathepsin S. | | 分子名称: | Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | | 著者 | Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M. | | 登録日 | 2002-09-19 | | 公開日 | 2003-04-22 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors
J.Med.Chem., 45, 2002
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1MUI
 | | Crystal structure of HIV-1 protease complexed with Lopinavir. | | 分子名称: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | | 著者 | Stoll, V, Qin, W, Stewart, K.D, Jakob, C, Park, C, Walter, K, Simmer, R.L, Helfrich, R, Bussiere, D, Kao, J, Kempf, D, Sham, H.L, Norbeck, D.W. | | 登録日 | 2002-09-23 | | 公開日 | 2002-10-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease
BIOORG.MED.CHEM., 10, 2002
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8G8W
 | | Molecular mechanism of nucleotide inhibition of human uncoupling protein 1 | | 分子名称: | CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ... | | 著者 | Gogoi, P, Jones, S.A, Ruprecht, J.J, King, M.S, Lee, Y, Zogg, T, Pardon, E, Chand, D, Steimle, S, Copeman, D, Cotrim, C.A, Steyaert, J, Crichton, P.G, Moiseenkova-Bell, V, Kunji, E.R.S. | | 登録日 | 2023-02-20 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural basis of purine nucleotide inhibition of human uncoupling protein 1.
Sci Adv, 9, 2023
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6MEC
 | | Structure of a group II intron retroelement after DNA integration | | 分子名称: | MAGNESIUM ION, Maturase reverse transcriptase, SODIUM ION, ... | | 著者 | Haack, D, Yan, X, Zhang, C, Hingey, J, Lyumkis, D, Baker, T.S, Toor, N. | | 登録日 | 2018-09-06 | | 公開日 | 2019-08-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Cryo-EM Structures of a Group II Intron Reverse Splicing into DNA.
Cell, 178, 2019
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6J2E
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP1 | | 分子名称: | Beta-2-microglobulin, EBOV-NP1, MHC class I antigen | | 著者 | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | 登録日 | 2019-01-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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4ET8
 | | Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data | | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | 登録日 | 2012-04-24 | | 公開日 | 2012-06-13 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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9GDI
 | | HUMAN PI3KDELTA IN COMPLEX WITH ISOCUMARIN INHIBITOR 10 | | 分子名称: | 3-[(1S)-1-[4-azanyl-3-(3-fluoranyl-5-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | | 登録日 | 2024-08-05 | | 公開日 | 2024-12-18 | | 最終更新日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Discovery of CHF-6523, an Inhaled Selective PI3K delta Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 68, 2025
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1GWM
 | | Carbohydrate binding module family29 complexed with glucohexaose | | 分子名称: | 1,2-ETHANEDIOL, COBALT (II) ION, NON-CATALYTIC PROTEIN 1, ... | | 著者 | Charnock, S.J, Nurizzo, D, Davies, G.J. | | 登録日 | 2002-03-19 | | 公開日 | 2003-03-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Promiscuity in Ligand-Binding: The Three-Dimensional Structure of a Piromyces Carbohydrate-Binding Module,Cbm29-2,in Complex with Cello- and Mannohexaose
Proc.Natl.Acad.Sci.USA, 99, 2002
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9GCF
 | | HUMAN PI3KDELTA IN COMPLEX WITH ISOCUMARIN INHIBITOR CHF-6523 | | 分子名称: | 3-[(1S)-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]isochromen-1-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | | 登録日 | 2024-08-01 | | 公開日 | 2024-12-18 | | 最終更新日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Discovery of CHF-6523, an Inhaled Selective PI3K delta Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 68, 2025
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3KWX
 | | Chemically modified Taka alpha-amylase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase A type-1/2, CALCIUM ION | | 著者 | Siddiqui, K.S, Harrop, S.J, Poljak, A, De Francisci, D, Guerriero, G, Pilak, O, Burg, D, Raftery, M.J, Parkin, D.M, Trewhella, J, Cavicchioli, R. | | 登録日 | 2009-12-01 | | 公開日 | 2009-12-29 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A Modified alpha-amylase with a molten-globule state has enhanced thermal stability
To be Published
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4ZAC
 | | Structure of S. cerevisiae Fdc1 with the prenylated-flavin cofactor in the iminium form. | | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | 著者 | White, M.D, Leys, D. | | 登録日 | 2015-04-13 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
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9GG9
 | | HUMAN PI3KGAMMA IN COMPLEX WITH ISOCUMARIN INHIBITOR 11 | | 分子名称: | 3-[(1~{S})-1-[4-azanyl-3-(3-fluoranyl-5-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-isochromen-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | | 登録日 | 2024-08-13 | | 公開日 | 2024-12-18 | | 最終更新日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of CHF-6523, an Inhaled Selective PI3K delta Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 68, 2025
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6IX4
 | | Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms resolution | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Hu, D, Hu, B.C, Hou, X.D, Wu, L, Rao, Y.J, Wu, M.C. | | 登録日 | 2018-12-09 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.511 Å) | | 主引用文献 | Nearly perfect kinetic resolution of racemic o-nitrostyrene oxide by AuEH2, a microsomal epoxide hydrolase from Aspergillus usamii, with high enantio- and regio-selectivity.
Int.J.Biol.Macromol., 169, 2021
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