4XN0
| Tailspike protein mutant E372A of E. coli bacteriophage HK620 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | 著者 | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | 登録日 | 2015-01-15 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein. to be published
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3NT0
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6SKR
| OXA-10_ETP. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10. | 分子名称: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, FORMIC ACID, ... | 著者 | Leiros, H.-K.S. | 登録日 | 2019-08-16 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10. Febs Open Bio, 10, 2020
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4XR7
| Structure of the Saccharomyces cerevisiae PAN2-PAN3 core complex | 分子名称: | PAB-dependent poly(A)-specific ribonuclease subunit PAN2, PAB-dependent poly(A)-specific ribonuclease subunit PAN3 | 著者 | Schafer, I.B, Rode, M, Bonneau, F, Schussler, S, Conti, E. | 登録日 | 2015-01-20 | 公開日 | 2015-01-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.796 Å) | 主引用文献 | The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase. Nat. Struct. Mol. Biol., 21, 2014
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8C6O
| Crystal Structure of H64F obelin mutant from Obelia longissima at 2.2 Angstrom resolution | 分子名称: | C2-HYDROPEROXY-COELENTERAZINE, Obelin, SODIUM ION | 著者 | Natashin, P.V, Burakova, L.P, Kovaleva, M.I, Schevtsov, M.B, Dmitrieva, D.A, Eremeeva, E.V, Markova, S.V, Mishin, A.V, Borshchevskiy, V.I, Vysotski, E.S. | 登録日 | 2023-01-12 | 公開日 | 2023-03-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Role of Tyr-His-Trp Triad and Water Molecule Near the N1-Atom of 2-Hydroperoxycoelenterazine in Bioluminescence of Hydromedusan Photoproteins: Structural and Mutagenesis Study. Int J Mol Sci, 24, 2023
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8C10
| Biochemical and structural characterisation of an alkaline family GH5 cellulase from a shipworm symbiont | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GH5 Cellulase, ... | 著者 | Leiros, I, Vaaje-Kolstad, G. | 登録日 | 2022-12-19 | 公開日 | 2023-04-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Biochemical and structural characterisation of a family GH5 cellulase from endosymbiont of shipworm P. megotara. Biotechnol Biofuels Bioprod, 16, 2023
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3NZJ
| Crystal structure of yeast 20S proteasome in complex with ligand 2a | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proteasome component C1, Proteasome component C11, ... | 著者 | Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M. | 登録日 | 2010-07-16 | 公開日 | 2011-02-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A. Chemmedchem, 5, 2010
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4XZ3
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4Y0Z
| Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | 登録日 | 2015-02-06 | 公開日 | 2015-06-24 | 最終更新日 | 2018-04-18 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
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6J32
| Crystal Structure Analysis of the Glycotransferase of kitacinnamycin | 分子名称: | Kcn28 | 著者 | Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M. | 登録日 | 2019-01-03 | 公開日 | 2020-01-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Genome mining and biosynthesis of kitacinnamycins as a STING activator. Chem Sci, 10, 2019
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8C78
| Crystal structure of human BCL6 BTB domain in complex with compound CCT374705 | 分子名称: | (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | 著者 | Le Bihan, Y.-V, van Montfort, R.L.M. | 登録日 | 2023-01-13 | 公開日 | 2023-04-26 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of an In Vivo Chemical Probe for BCL6 Inhibition by Optimization of Tricyclic Quinolinones. J.Med.Chem., 66, 2023
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8CCB
| The Fk1 domain of FKBP51 in complex with 2-(3-((1R)-1-(((2S)-1-(2-(5-chlorothiophen-2-yl)-2-cyclohexylacetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-cyclohexyl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | 登録日 | 2023-01-27 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
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4XVX
| Crystal structure of an acyl-ACP dehydrogenase | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Acyl-[acyl-carrier-protein] dehydrogenase MbtN, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | 著者 | Chai, A, Johnston, J.M, Bunker, R.D, Lott, J.S, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2015-01-28 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A covalent adduct of MbtN, an acyl-ACP dehydrogenase from Mycobacterium tuberculosis, reveals an unusual acyl-binding pocket. Acta Crystallogr.,Sect.D, 71, 2015
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8CCA
| The Fk1 domain of FKBP51 in complex with SAFit1 | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | 登録日 | 2023-01-27 | 公開日 | 2023-04-26 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
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8CNH
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4Y31
| Crystal structure of yellow lupine LlPR-10.1A protein in ligand-free form | 分子名称: | ACETATE ION, Protein LlR18A | 著者 | Sliwiak, J, Michalska, K, Sikorski, M.M, Jaskolski, M. | 登録日 | 2015-02-10 | 公開日 | 2015-12-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein. J.Struct.Biol., 193, 2016
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8CCD
| The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | 登録日 | 2023-01-27 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
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8CCF
| The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)pent-4-enoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | 登録日 | 2023-01-27 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
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4XYM
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8CCH
| The Fk1 domain of FKBP51 in complex with 2-(3-((1R)-1-(((2S)-1-(2-cyclohexyl-2-(thiophen-2-yl)acetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | 登録日 | 2023-01-27 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
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8COJ
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3OX2
| X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | 分子名称: | 2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Pegan, S.D, Sturdy, M, Mesecar, A.D. | 登録日 | 2010-09-21 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors. Protein Sci., 20, 2011
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3P0S
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8CCE
| The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)butanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | 登録日 | 2023-01-27 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
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6J79
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