8C89
 
 | | SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab) | | 分子名称: | 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G. | | 登録日 | 2023-01-19 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (4.41 Å) | | 主引用文献 | A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity.
Nat Commun, 15, 2024
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8DCQ
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4R6C
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8EJB
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8FLN
 | | Crystal structure of BTK C481S kinase domain in complex with pirtobrutinib | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | 著者 | Cedervall, E.P, Morales, T.H, Allerston, C.K. | | 登録日 | 2022-12-21 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.334 Å) | | 主引用文献 | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
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8FLL
 | | Crystal structure of BTK kinase domain in complex with pirtobrutinib | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | 著者 | Cedervall, E.P, Morales, T.H, Allerston, C.K. | | 登録日 | 2022-12-21 | | 公開日 | 2023-03-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.498 Å) | | 主引用文献 | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
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4UHV
 | | The structure of VgrG1, the needle tip of the bacterial Type VI Secretion System | | 分子名称: | CHLORIDE ION, SODIUM ION, VGRG1, ... | | 著者 | Spinola-Amilibia, M, Davo-Siguero, I, Ruiz, F.M, Santillana, E, Medrano, F.J, Romero, A. | | 登録日 | 2015-03-25 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Structure of Vgrg1 from Pseudomonas Aeruginosa, the Needle Tip of the Bacterial Type Vi Secretion System
Acta Crystallogr.,Sect.D, 72, 2016
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1ZG7
 | | Crystal Structure of 2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B | | 分子名称: | 2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID, ZINC ION, procarboxypeptidase B | | 著者 | Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M. | | 登録日 | 2005-04-20 | | 公開日 | 2005-07-12 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
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2A6N
 | | Dihydrodipicolinate synthase (E. coli)- mutant R138A | | 分子名称: | Dihydrodipicolinate synthase, POTASSIUM ION | | 著者 | Dobson, R.C, Devenish, S.R, Turner, L.A, Clifford, V.R, Pearce, F.G, Jameson, G.B, Gerrard, J.A. | | 登録日 | 2005-07-03 | | 公開日 | 2005-10-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Role of Arginine 138 in the Catalysis and Regulation of Escherichia coli Dihydrodipicolinate Synthase.
Biochemistry, 44, 2005
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2A6L
 | | Dihydrodipicolinate synthase (E. coli)- mutant R138H | | 分子名称: | Dihydrodipicolinate synthase, POTASSIUM ION | | 著者 | Dobson, R.C, Devenish, S.R, Turner, L.A, Clifford, V.R, Pearce, F.G, Jameson, G.B, Gerrard, J.A. | | 登録日 | 2005-07-03 | | 公開日 | 2005-10-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Role of Arginine 138 in the Catalysis and Regulation of Escherichia coli Dihydrodipicolinate Synthase.
Biochemistry, 44, 2005
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5JS3
 | | Thermolysin in complex with JC114. | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | 登録日 | 2016-05-07 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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5JT9
 | | Thermolysin in complex with JC106. | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | 登録日 | 2016-05-09 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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5JXN
 | | Thermolysin in complex with JC240. | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | 登録日 | 2016-05-13 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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5JVI
 | | Thermolysin in complex with JC148. | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | 登録日 | 2016-05-11 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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5JSS
 | | Thermolysin in complex with JC149. | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | 登録日 | 2016-05-09 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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5L41
 | | Thermolysin in complex with JC148 (MPD cryo protectant) | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, Thermolysin, ... | | 著者 | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | 登録日 | 2016-05-24 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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6ELI
 | | Structure of HIV-1 reverse transcriptase (RT) in complex with rilpivirine and an RNase H inhibitor XZ462 | | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Gag-Pol polyprotein, ... | | 著者 | Das, K, Arnold, E. | | 登録日 | 2017-09-29 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Developing and Evaluating Inhibitors against the RNase H Active Site of HIV-1 Reverse Transcriptase.
J. Virol., 92, 2018
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6XU8
 | | Drosophila melanogaster Ovary 80S ribosome | | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 2S ribosomal RNA, ... | | 著者 | Hopes, T, Agapiou, M, Norris, K, McCarthy, C.G.P, OConnell, M.J, Fontana, J, Aspden, J.L. | | 登録日 | 2020-01-17 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Ribosome heterogeneity in Drosophila melanogaster gonads through paralog-switching.
Nucleic Acids Res., 50, 2022
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6SHO
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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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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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6SIM
 | | SAD structure of Hen Egg White Lysozyme recovered by inverse beam geometry 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 (1.61018026 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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6TB0
 | | Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii | | 分子名称: | Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | | 登録日 | 2019-10-31 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020
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6TE6
 | | Crystal structure of Dot1L in complex with an inhibitor (compound 3). | | 分子名称: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, ~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine | | 著者 | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | | 登録日 | 2019-11-11 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
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