6FV1
 
 | | Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl) | | 分子名称: | (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | 著者 | Zhang, L, Hilgenfeld, R. | | 登録日 | 2018-02-28 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
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6OAG
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5AIL
 | | Human PARP9 2nd macrodomain | | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, POLY [ADP-RIBOSE] POLYMERASE 9, ... | | 著者 | Sieg, C, Shrestha, L, Talon, R, Sorrell, F, Williams, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M. | | 登録日 | 2015-02-15 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure of Parp9 2Nd Macrodomain
To be Published
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6UCM
 | | Transcription factor DeltaFosB bZIP domain self-assembly, type-II crystal | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Protein fosB | | 著者 | Yin, Z, Machius, M, Rudenko, G. | | 登録日 | 2019-09-16 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.424 Å) | | 主引用文献 | Self-assembly of the bZIP transcription factor Delta FosB.
Curr Res Struct Biol, 2, 2020
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6FTD
 | | Deinococcus radiodurans BphP PAS-GAF H290T mutant | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | 著者 | Edlund, P, Takala, H, Westenhoff, S, Ihalainen, J.A. | | 登録日 | 2018-02-21 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Coordination of the biliverdin D-ring in bacteriophytochromes.
Phys Chem Chem Phys, 20, 2018
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6YVL
 | | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 1.42 MGy exposure | | 分子名称: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | | 著者 | Tittmann, K, Rindfleisch, S, Krull, M. | | 登録日 | 2020-04-28 | | 公開日 | 2021-11-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
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6U16
 | | Human thymine DNA glycosylase N140A mutant bound to DNA with 5-carboxyl-dC substrate | | 分子名称: | 1,2-ETHANEDIOL, DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | | 著者 | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | 登録日 | 2019-08-15 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase.
J.Am.Chem.Soc., 141, 2019
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8Y7L
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8EDH
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3FK1
 | | E. coli EPSP synthase (TIPS mutation) liganded with S3P and glyphosate | | 分子名称: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ... | | 著者 | Schonbrunn, E. | | 登録日 | 2008-12-15 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
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4LT5
 | | Structure of a Naegleria Tet-like dioxygenase in complex with 5-methylcytosine DNA | | 分子名称: | 1,2-ETHANEDIOL, DNA, MANGANESE (II) ION, ... | | 著者 | Hashimoto, H, Pais, J.E, Zhang, X, Saleh, L, Fu, Z.Q, Dai, N, Correa, I.R, Roberts, R.J, Zheng, Y, Cheng, X. | | 登録日 | 2013-07-23 | | 公開日 | 2013-12-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.893 Å) | | 主引用文献 | Structure of a Naegleria Tet-like dioxygenase in complex with 5-methylcytosine DNA.
Nature, 506, 2014
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7EL7
 | | NMR solution structure of the 1:1 complex of a quadruplex-duplex hybrid MYT1L and a platinum(II) ligand L1Pt(dien) | | 分子名称: | G-quadruplex DNA MYT1L, Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | | 著者 | Liu, L.-Y, Liu, W, Mao, Z.-W. | | 登録日 | 2021-04-08 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Spatial Matching Selectivity and Solution Structure of Organic-Metal Hybrid to Quadruplex-Duplex Hybrid.
Angew.Chem.Int.Ed.Engl., 60, 2021
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9BS1
 | | Cryo-EM structure of the S. cerevisiae lipid flippase Neo1 bound with PI4P in the E2P state | | 分子名称: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl di[(9Z)-octadec-9-enoate], BERYLLIUM TRIFLUORIDE ION, Phospholipid-transporting ATPase NEO1 | | 著者 | Duan, H.D, Li, H. | | 登録日 | 2024-05-12 | | 公開日 | 2025-04-02 | | 最終更新日 | 2025-07-30 | | 実験手法 | ELECTRON MICROSCOPY (3.71 Å) | | 主引用文献 | P4-ATPases control phosphoinositide membrane asymmetry and neomycin resistance.
Nat.Cell Biol., 27, 2025
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8DR8
 | | LRRC8A:C conformation 2 (oblong) top mask | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | 著者 | Kern, D.M, Brohawn, S.G. | | 登録日 | 2022-07-20 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-07-05 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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6R2A
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD cocrystallized with succinylphosphonate phosphonoethyl ester (PESP) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid, MAGNESIUM ION, ... | | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | | 登録日 | 2019-03-15 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts.
J.Struct.Biol., 208, 2019
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5KXQ
 | | mouse POFUT1 in complex with GDP | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Li, Z, Rini, J.M. | | 登録日 | 2016-07-20 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
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6O7S
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4BBP
 | | X-ray structure of zinc bound ZnuA in complex with RDS51 | | 分子名称: | 1-[(2-chlorophenyl)methyl]-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide, SULFATE ION, ZINC ABC TRANSPORTER, ... | | 著者 | Alaleona, F, Ilari, A, Di Santo, R, Battistoni, A, Chiancone, E. | | 登録日 | 2012-09-27 | | 公開日 | 2013-10-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Salmonella Enterica Serovar Typhimurium Growth is Inhibited by the Concomitant Binding of Zn(II) and a Pyrrolyl-Hydroxamate to Znua, the Soluble Component of the Znuabc Transporter.
Biochim.Biophys.Acta, 1860, 2016
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6OUD
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7N6Q
 | | Structure of PPPA bound human ACAT2 | | 分子名称: | (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate, CHOLESTEROL, OLEIC ACID, ... | | 著者 | Li, X, Long, T. | | 登録日 | 2021-06-08 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | | 主引用文献 | Structure of PPPA bound human ACAT2
To Be Published
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1D45
 | | DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-25 DEGREES C, PIPERAZINE DOWN | | 分子名称: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | 著者 | Quintana, J.R, Lipanov, A.A, Dickerson, R.E. | | 登録日 | 1991-06-04 | | 公開日 | 1992-04-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
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5L7G
 | | MCR IN COMPLEX WITH ligand | | 分子名称: | 1,2-ETHANEDIOL, Mineralocorticoid receptor, NCOA1 peptide, ... | | 著者 | Edman, K, Aagaard, A, Backstrom, S, Xue, Y. | | 登録日 | 2016-06-03 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
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3FLS
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3FH9
 | | Crystal structure determination of indian flying fox (Pteropus giganteus) at 1.62 A resolution | | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | 著者 | Sathya Moorthy, Pon, Neelagandan, K, Balasubramanian, M, Thenmozhi, M, Ponnuswamy, M.N. | | 登録日 | 2008-12-09 | | 公開日 | 2009-02-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Crystal structure determination of indian flying fox (Pteropus giganteus) at 1.62 A resolution
To be Published
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6R4C
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