7P38
 
 | | 4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 | | 分子名称: | CALCIUM ION, Dextransucrase, GLYCEROL, ... | | 著者 | Pijning, T, te Poele, E, Gangoiti, J, Boerner, T, Dijkhuizen, L. | | 登録日 | 2021-07-07 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Insights into Broad-Specificity Starch Modification from the Crystal Structure of Limosilactobacillus Reuteri NCC 2613 4,6-alpha-Glucanotransferase GtfB.
J.Agric.Food Chem., 69, 2021
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8FC6
 | | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and telithromycin at 2.35A resolution | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | 著者 | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | | 登録日 | 2022-12-01 | | 公開日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
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1AAT
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8OID
 | | Cryo-EM structure of ADP-bound, filamentous beta-actin harboring the N111S mutation | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | 著者 | Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S. | | 登録日 | 2023-03-22 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
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6T6O
 | | Y201W mutant of the orange carotenoid protein from Synechocystis at pH 4.6 | | 分子名称: | ASPARAGINE, CHLORIDE ION, GLYCEROL, ... | | 著者 | Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G. | | 登録日 | 2019-10-18 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein.
Commun Biol, 4, 2021
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1A0K
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6NJZ
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6T8I
 | | Crystal structure of wild type EndoBT-3987 from Bacteroides thetaiotamicron VPI-5482 | | 分子名称: | Endo-beta-N-acetylglucosaminidase F1, GLYCEROL | | 著者 | Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E. | | 登録日 | 2019-10-24 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides.
Nat Commun, 11, 2020
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6Z7Y
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6T8L
 | | Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 with Man9GlcNAc product in P212121 | | 分子名称: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase F1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E. | | 登録日 | 2019-10-24 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides.
Nat Commun, 11, 2020
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8G69
 | | Wildtype PTP1b in complex with DES5743 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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6Q1F
 | | Atomic structure of the Human Herpesvirus 6B Capsid and Capsid-Associated Tegument Complexes | | 分子名称: | Large structural phosphoprotein, Major capsid protein, Small capsomere-interacting protein, ... | | 著者 | Zhang, Y.B, Liu, W, Li, Z.H, Kumar, V, Alvarez-Cabrera, A.L, Leibovitch, E, Cui, Y.X, Mei, Y, Bi, G.Q, Jacobson, S, Zhou, Z.H. | | 登録日 | 2019-08-03 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (9 Å) | | 主引用文献 | Atomic structure of the human herpesvirus 6B capsid and capsid-associated tegument complexes.
Nat Commun, 10, 2019
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8G67
 | | Wildtype PTP1b in complex with DES4884 | | 分子名称: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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5CKY
 | | Crystal Structure of the MTERF1 R162A substitution bound to the termination sequence. | | 分子名称: | 5' -D (*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3', 5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3', Transcription termination factor 1, ... | | 著者 | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | 登録日 | 2015-07-15 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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7BHU
 | | Crystal structure of MAT2a with elaborated fragment 26 bound in the allosteric site | | 分子名称: | 1,2-ETHANEDIOL, 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, ... | | 著者 | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | 登録日 | 2021-01-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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6FKL
 | | Tubulin-TUB015 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{1-[(2-Methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione, CALCIUM ION, ... | | 著者 | Prota, A.E, Steinmetz, M.O, Priego, E.-M. | | 登録日 | 2018-01-24 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | | 主引用文献 | High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design.
Sci Rep, 8, 2018
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8G6A
 | | Wildtype PTP1b in complex with DES6016 | | 分子名称: | DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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6Q9Z
 | | Crystal structure of the pathological G167R variant of calcium-free human gelsolin, | | 分子名称: | GLYCEROL, Gelsolin, SULFATE ION | | 著者 | Boni, F, Scalone, E, Milani, M, Eloise, M, de Rosa, M. | | 登録日 | 2018-12-18 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
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6NO4
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6QBF
 | | Crystal structure of the pathological D187N variant of calcium-free human gelsolin. | | 分子名称: | GLYCEROL, Gelsolin, SODIUM ION, ... | | 著者 | Scalone, E, Boni, F, Milani, M, Eloise, M, de Rosa, M. | | 登録日 | 2018-12-21 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.499 Å) | | 主引用文献 | The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
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8G68
 | | Wildtype PTP1b in complex with DES5742 | | 分子名称: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G65
 | | Wildtype PTP1b in complex with DES4799 | | 分子名称: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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1AHQ
 | | RECOMBINANT ACTOPHORIN | | 分子名称: | ACTOPHORIN | | 著者 | Leonard, S.A, Gittis, A.G, Petrella, E.C, Pollard, T.D, Lattman, E.E. | | 登録日 | 1997-04-10 | | 公開日 | 1997-09-04 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the actin-binding protein actophorin from Acanthamoeba.
Nat.Struct.Biol., 4, 1997
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5NNT
 | | The dimeric structure of LL-37 crystallized in DPC | | 分子名称: | Cathelicidin antimicrobial peptide, dodecyl 2-(trimethylammonio)ethyl phosphate | | 著者 | Zeth, K, Sancho-Vaello, E. | | 登録日 | 2017-04-10 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.209 Å) | | 主引用文献 | Structural remodeling and oligomerization of human cathelicidin on membranes suggest fibril-like structures as active species.
Sci Rep, 7, 2017
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5I0L
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27). | | 分子名称: | (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | 登録日 | 2016-02-04 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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