6SB7
| Human Carbonic Anhydrase II in complex with fragment. | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloranylthiophene-2-sulfonamide, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2019-07-19 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6AWQ
| Anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site | 分子名称: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, ... | 著者 | Coleman, J.A, Gouaux, E. | 登録日 | 2017-09-06 | 公開日 | 2017-10-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (4.046 Å) | 主引用文献 | Structural basis for recognition of diverse antidepressants by the human serotonin transporter. Nat. Struct. Mol. Biol., 25, 2018
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6SIJ
| SAD structure of Hen Egg White Lysozyme recovered by continuous rotation data collection and multivariate analysis of Friedel pairs | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Garcia-Bonete, M.J, Katona, G. | 登録日 | 2019-08-10 | 公開日 | 2019-11-06 | 最終更新日 | 2019-11-13 | 実験手法 | X-RAY DIFFRACTION (1.61018026 Å) | 主引用文献 | Bayesian machine learning improves single-wavelength anomalous diffraction phasing. Acta Crystallogr.,Sect.A, 75, 2019
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4L1F
| Electron transferring flavoprotein of Acidaminococcus fermentans: Towards a mechanism of flavin-based electron bifurcation | 分子名称: | 1,3-PROPANDIOL, Acyl-CoA dehydrogenase domain protein, COENZYME A PERSULFIDE, ... | 著者 | Mowafy, A.M, Chowdhury, N.P, Demmer, J, Upadhyay, V, Kolzer, S, Jayamani, E, Kahnt, J, Demmer, U, Ermler, U, Buckel, W. | 登録日 | 2013-06-03 | 公開日 | 2014-01-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Studies on the Mechanism of Electron Bifurcation Catalyzed by Electron Transferring Flavoprotein (Etf) and Butyryl-CoA Dehydrogenase (Bcd) of Acidaminococcus fermentans. J.Biol.Chem., 289, 2014
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5Y4A
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6APE
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7ZZP
| Structure of HDAC2 complexed with an inhibitory ligand | 分子名称: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | 著者 | Cleasby, A, Tisi, D. | 登録日 | 2022-05-25 | 公開日 | 2022-09-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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6SBM
| Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentoxybenzenesulfonamide, CITRATE ANION, ... | 著者 | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | 登録日 | 2019-07-21 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide To Be Published
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6SJN
| Methyltransferase MtgA from Desulfitobacterium hafniense in complex with methyl-tetrahydrofolate (P212121) | 分子名称: | GLYCEROL, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, SODIUM ION, ... | 著者 | Badmann, T, Groll, M. | 登録日 | 2019-08-13 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structures in Tetrahydrofolate Methylation in Desulfitobacterial Glycine Betaine Metabolism at Atomic Resolution. Chembiochem, 21, 2020
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5VNR
| X-ray structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin, ... | 著者 | Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J. | 登録日 | 2017-05-01 | 公開日 | 2017-07-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | 主引用文献 | Neutron crystallographic studies of T4 lysozyme at cryogenic temperature. Protein Sci., 26, 2017
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5VOP
| Methionine synthase folate-binding domain from Thermus thermophilus HB8 native | 分子名称: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydrofolate homocysteine S-methyltransferase, CITRATE ANION, ... | 著者 | Koutmos, M, Yamada, K. | 登録日 | 2017-05-03 | 公開日 | 2018-01-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The folate-binding module of Thermus thermophilus cobalamin-dependent methionine synthase displays a distinct variation of the classical TIM barrel: a TIM barrel with a `twist'. Acta Crystallogr D Struct Biol, 74, 2018
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6SFU
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7ZYI
| Structure of the human sodium/bile acid cotransporter (NTCP) in complex with Fab and nanobody | 分子名称: | CHOLESTEROL, GLYCOCHENODEOXYCHOLIC ACID, Nanobody, ... | 著者 | Liu, H, Irobalieva, R.N, Bang-Sorensen, R, Nosol, K, Mukherjee, S, Agrawal, P, Stieger, B, Kossiakoff, A.A, Locher, K.P. | 登録日 | 2022-05-24 | 公開日 | 2022-07-13 | 最終更新日 | 2022-08-10 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Structure of human NTCP reveals the basis of recognition and sodium-driven transport of bile salts into the liver. Cell Res., 32, 2022
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6AWX
| Structure of PR-10 Allergen Ara h 8.01. | 分子名称: | Ara h 8 allergen, SODIUM ION | 著者 | Offermann, L.R, Yarbrough, J, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. | 登録日 | 2017-09-06 | 公開日 | 2018-09-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure of PR-10 Allergen Ara h 8.01. To Be Published
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6SIK
| SAD structure of Hen Egg White Lysozyme recovered by continuous rotation data collection and univariate analysis | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Garcia-Bonete, M.J, Katona, G. | 登録日 | 2019-08-10 | 公開日 | 2019-11-06 | 最終更新日 | 2019-11-13 | 実験手法 | X-RAY DIFFRACTION (1.61007011 Å) | 主引用文献 | Bayesian machine learning improves single-wavelength anomalous diffraction phasing. Acta Crystallogr.,Sect.A, 75, 2019
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6SIL
| SAD structure of Hen Egg White Lysozyme recovered by inverse beam geometry data collection and multivariate analysis of Friedel pairs | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Garcia-Bonete, M.J, Katona, G. | 登録日 | 2019-08-10 | 公開日 | 2019-11-06 | 最終更新日 | 2019-11-13 | 実験手法 | X-RAY DIFFRACTION (1.61018026 Å) | 主引用文献 | Bayesian machine learning improves single-wavelength anomalous diffraction phasing. Acta Crystallogr.,Sect.A, 75, 2019
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6SBC
| Structure of type II terpene cyclase MstE from Scytonema in complex with farnesyl dihydroxybenzoate | 分子名称: | CHLORIDE ION, MstE, SODIUM ION, ... | 著者 | Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J. | 登録日 | 2019-07-19 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds. Nat.Chem., 12, 2020
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5FQ9
| Crystal structure of the OXA10 with 1C | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... | 著者 | Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J. | 登録日 | 2015-12-08 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
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6SBL
| Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-hexylbenzenesulfonamide, CITRATE ANION, ... | 著者 | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | 登録日 | 2019-07-21 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | 主引用文献 | Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide To Be Published
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7ZJW
| Rabbit 80S ribosome as it decodes the Sec-UGA codon | 分子名称: | 18S rRNA, 28S rRNA, 40S Ribosomal protein eS19, ... | 著者 | Hilal, T, Simonovic, M, Spahn, C.M.T. | 登録日 | 2022-04-12 | 公開日 | 2022-10-19 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structure of the mammalian ribosome as it decodes the selenocysteine UGA codon. Science, 376, 2022
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6SBQ
| The crystal structure of PfA-M1 in complex with 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one | 分子名称: | DI(HYDROXYETHYL)ETHER, M1-family alanyl aminopeptidase, MALONATE ION, ... | 著者 | Salomon, E, Schmitt, M, Mouray, E, McEwen, A.G, Torchy, M, Poussin-Courmontagne, P, Alavi, S, Tarnus, C, Cavarelli, J, Florent, I, Albrecht, S. | 登録日 | 2019-07-22 | 公開日 | 2020-03-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Aminobenzosuberone derivatives as PfA-M1 inhibitors: Molecular recognition and antiplasmodial evaluation. Bioorg.Chem., 98, 2020
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6SAC
| N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2019-07-16 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6B09
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5FNK
| Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | 分子名称: | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, ACETIC ACID, CARBONIC ANHYDRASE 2, ... | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | 登録日 | 2015-11-15 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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6SYC
| Crystal structure of the lysozyme in presence of bromophenol blue at pH 6.5 | 分子名称: | CHLORIDE ION, IMIDAZOLE, Lysozyme, ... | 著者 | Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C. | 登録日 | 2019-09-27 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Lysozyme crystals dyed with bromophenol blue: where has the dye gone? Acta Crystallogr D Struct Biol, 76, 2020
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