6R0H
| Glycogen Phosphorylase b in complex with 3 | 分子名称: | 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide, Glycogen phosphorylase, muscle form, ... | 著者 | Tsagkarakou, S.A, Koulas, M.S, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | 登録日 | 2019-03-13 | 公開日 | 2019-04-10 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors. Molecules, 24, 2019
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6R0I
| Glycogen Phosphorylase b in complex with 4 | 分子名称: | Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Koulas, M.S, Tsagkarakou, S.A, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | 登録日 | 2019-03-13 | 公開日 | 2019-04-17 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors. Molecules, 24, 2019
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8SMS
| Crosslinked Crystal Structure of Type II Fatty Acid Synthase, FabB, and cerulenin crosslinker-crypto Acyl Carrier Protein, AcpP | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide | 著者 | Jiang, Z, Chen, A, Chen, J, Sekhon, A, Louie, G.V, Noel, J.P, La Clair, J.J, Burkart, M.D. | 登録日 | 2023-04-26 | 公開日 | 2023-09-27 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Masked cerulenin enables a dual-site selective protein crosslink. Chem Sci, 14, 2023
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7A2F
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656 | 分子名称: | 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G. | 登録日 | 2020-08-17 | 公開日 | 2021-08-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656 To be published
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6R0Q
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7A28
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617 | 分子名称: | 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G. | 登録日 | 2020-08-16 | 公開日 | 2021-08-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617 To be published
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6M9T
| Crystal structure of EP3 receptor bound to misoprostol-FA | 分子名称: | (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, ... | 著者 | Audet, M, White, K.L, Breton, B, Zarzycka, B, Han, G.W, Lu, Y, Gati, C, Batyuk, A, Popov, P, Velasquez, J, Manahan, D, Hu, H, Weierstall, U, Liu, W, Shui, W, Katrich, V, Cherezov, V, Hanson, M.A, Stevens, R.C. | 登録日 | 2018-08-24 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of misoprostol bound to the labor inducer prostaglandin E2receptor. Nat. Chem. Biol., 15, 2019
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8GBT
| Time-resolve SFX structure of a photoproduct of carbon monoxide complex of bovine cytochrome c oxidase | 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, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Ishigami, I, Yeh, S.-R, Rousseau, D.L. | 登録日 | 2023-02-28 | 公開日 | 2023-09-20 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Detection of a Geminate Photoproduct of Bovine Cytochrome c Oxidase by Time-Resolved Serial Femtosecond Crystallography. J.Am.Chem.Soc., 145, 2023
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7NE5
| catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans with modified hinge region | 分子名称: | Oligopeptidase B, SPERMINE | 著者 | Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I. | 登録日 | 2021-02-03 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine. Biology (Basel), 10, 2021
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7XX6
| Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169a DNA fragment) | 分子名称: | CALCIUM ION, DNA (169-MER), Histone H1.0, ... | 著者 | Adhireksan, Z, Qiuye, B, Lee, P.L, Sharma, D, Padavattan, S, Davey, C.A. | 登録日 | 2022-05-28 | 公開日 | 2023-05-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.39 Å) | 主引用文献 | Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169a DNA fragment) To Be Published
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6ED9
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5LSZ
| Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | 分子名称: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | 著者 | Tisi, D, Pathuri, P, Heightman, T. | 登録日 | 2016-09-05 | 公開日 | 2016-10-05 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5LFF
| NMR structure of peptide 2 targeting CXCR4 | 分子名称: | ARG-ALA-CYS-ARG-PHE-PHE-CYS | 著者 | Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L. | 登録日 | 2016-07-01 | 公開日 | 2016-09-07 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists. J.Med.Chem., 59, 2016
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8SZV
| Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318 | 分子名称: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | 著者 | Huber, A.D, Poudel, S, Miller, D.J, Li, Y, Chen, T. | 登録日 | 2023-05-30 | 公開日 | 2023-10-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Ligand flexibility and binding pocket malleability cooperate to allow selective PXR activation by analogs of a promiscuous nuclear receptor ligand. Structure, 31, 2023
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5BR1
| CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GALACTOSAMINE | 分子名称: | 2-amino-2-deoxy-alpha-D-galactopyranose, ABC transporter, binding protein | 著者 | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2015-05-29 | 公開日 | 2015-06-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine. Acta Crystallogr.,Sect.F, 72, 2016
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5LJM
| Structure of SPATA2 PUB domain | 分子名称: | GLYCEROL, Spermatogenesis-associated protein 2 | 著者 | Elliott, P.R, Komander, D. | 登録日 | 2016-07-18 | 公開日 | 2016-08-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | 主引用文献 | SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling. Mol.Cell, 63, 2016
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6MFO
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8G96
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6MF9
| Crystal structure of CGD4-650 with compound BI2536 | 分子名称: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ZnKn (C2HC)+Athook+bromo domain protein, Taf250, ... | 著者 | Dong, A, Lin, Y.L, Hou, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Structural Genomics Consortium (SGC) | 登録日 | 2018-09-10 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.037 Å) | 主引用文献 | Crystal structure of CGD4-650 with compound BI2536 to be published
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6R1N
| Crystal structure of S. aureus seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine | 分子名称: | 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Salimraj, R, Cain, R, Roper, D.I. | 登録日 | 2019-03-14 | 公開日 | 2020-01-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase. J.Med.Chem., 62, 2019
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8SIL
| Lysozyme crystallized in cyclic olefin copolymer-based microfluidic chips | 分子名称: | Lysozyme C | 著者 | Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L, Botha, S, Poitevin, F, Sierra, R.G. | 登録日 | 2023-04-16 | 公開日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography. Acta Crystallogr D Struct Biol, 79, 2023
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8GCQ
| SFX structure of oxidized cytochrome c oxidase at 2.38 Angstrom resolution | 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, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Ishigami, I, Yeh, S.-R, Rousseau, D.L. | 登録日 | 2023-03-02 | 公開日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Structural insights into functional properties of the oxidized form of cytochrome c oxidase. Nat Commun, 14, 2023
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6R1O
| Crystal structure of E. coli seryl-tRNA synthetase complexed to a seryl sulfamoyl adenosine derivative | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Salimraj, R, Cain, R, Roper, D.I. | 登録日 | 2019-03-14 | 公開日 | 2020-01-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase. J.Med.Chem., 62, 2019
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6R1M
| Crystal structure of E. coli seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine | 分子名称: | 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, PHOSPHATE ION, ... | 著者 | Salimraj, R, Cain, R, Roper, D.I. | 登録日 | 2019-03-14 | 公開日 | 2020-01-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase. J.Med.Chem., 62, 2019
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8T0J
| Salmonella Typhimurium ArnD | 分子名称: | Probable 4-deoxy-4-formamido-L-arabinose-phosphoundecaprenol deformylase ArnD | 著者 | Sousa, M.C, Munoz-Escudero, D, Lee, M. | 登録日 | 2023-06-01 | 公開日 | 2023-10-18 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Structure and Function of ArnD. A Deformylase Essential for Lipid A Modification with 4-Amino-4-deoxy-l-arabinose and Polymyxin Resistance. Biochemistry, 62, 2023
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