8P2Z
 
 | | Structure of human SIT1 bound to L-pipecolate (focussed map / refinement) | | 分子名称: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | | 登録日 | 2023-05-16 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
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7H8N
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z255114686 (CHIKV_MacB-x1260) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | 登録日 | 2024-04-26 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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7H84
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56866006 (CHIKV_MacB-x1123) | | 分子名称: | 3-AMINO-1,2,4-TRIAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | 登録日 | 2024-04-26 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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7H91
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56347237 (CHIKV_MacB-x1338) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | 登録日 | 2024-04-26 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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5M6E
 | | Small Molecule inhibitors of IAP | | 分子名称: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase XIAP, ... | | 著者 | Williams, P.A. | | 登録日 | 2016-10-25 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
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1F4J
 | | STRUCTURE OF TETRAGONAL CRYSTALS OF HUMAN ERYTHROCYTE CATALASE | | 分子名称: | CATALASE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Safo, M.K, Musayev, F.N, Wu, S.H, Abraham, D.J, Ko, T.P. | | 登録日 | 2000-06-07 | | 公開日 | 2000-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of tetragonal crystals of human erythrocyte catalase.
Acta Crystallogr.,Sect.D, 57, 2001
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338D
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5M6N
 | | Small Molecule inhibitors of IAP | | 分子名称: | 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, Baculoviral IAP repeat-containing protein 2, SULFATE ION, ... | | 著者 | Williams, P.A. | | 登録日 | 2016-10-25 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
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4D0X
 | | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | | 分子名称: | 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | | 登録日 | 2014-04-30 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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5MA8
 | | GFP-binding DARPin 3G124nc | | 分子名称: | GA-binding protein subunit beta-1, Green fluorescent protein | | 著者 | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | | 登録日 | 2016-11-03 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
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4D1A
 | | STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH INDOLYLMETHYL-HYDANTOIN | | 分子名称: | (5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione, HYDANTOIN TRANSPORT PROTEIN, SODIUM ION | | 著者 | Weyand, S, Brueckner, F, Geng, T, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D. | | 登録日 | 2014-05-01 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1.
Embo J., 33, 2014
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5M6L
 | | Small Molecule inhibitors of IAP | | 分子名称: | 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | 著者 | Williams, P.A. | | 登録日 | 2016-10-25 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
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3IH7
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4D2O
 | | Crystal structure of the class A extended-spectrum beta-lactamase PER- 2 | | 分子名称: | PER-2 BETA-LACTAMASE | | 著者 | Power, P, Herman, R, Ruggiero, M, Kerff, F, Galleni, M, Gutkind, G, Charlier, P, Sauvage, E. | | 登録日 | 2014-05-12 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of the Extended-Spectrum Beta-Lactamase Per- 2 and Insights Into the Role of Specific Residues in the Interaction with Beta-Lactams and Beta-Lactamase Inhibitors.
Antimicrob.Agents Chemother., 58, 2014
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5M6C
 | | CRYSTAL STRUCTURE OF T71N MUTANT OF HUMAN HIPPOCALCIN | | 分子名称: | CALCIUM ION, Neuron-specific calcium-binding protein hippocalcin | | 著者 | Helassa, N, Antonyuk, S.V, Lian, L.Y, Haynes, L.P, Burgoyne, R.D. | | 登録日 | 2016-10-24 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia.
Hum. Mol. Genet., 26, 2017
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4XRD
 | | Salmonella typhimurium AhpC W169F mutant | | 分子名称: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | | 著者 | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | 登録日 | 2015-01-21 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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4D65
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1T7Y
 | | Zn-alpha-2-glycoprotein; baculo-ZAG PEG 200, no glycerol | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein | | 著者 | Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J. | | 登録日 | 2004-05-11 | | 公開日 | 2004-12-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein.
J.Struct.Biol., 148, 2004
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5M6M
 | | Small Molecule inhibitors of IAP | | 分子名称: | 1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | 著者 | Williams, P.A. | | 登録日 | 2016-10-25 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
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4D82
 | | Metallosphera sedula Vps4 crystal structure | | 分子名称: | AAA ATPase, central domain protein, ADENOSINE-5'-DIPHOSPHATE | | 著者 | Caillat, C, Macheboeuf, P, Wu, Y, McCarthy, A.A, Boeri-Erba, E, Effantin, G, Gottlinger, H.G, Weissenhorn, W, Renesto, P. | | 登録日 | 2014-12-02 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Asymmetric Ring Structure of Vps4 Required for Escrt-III Disassembly.
Nat.Commun., 6, 2015
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4D1B
 | | STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH BENZYL-HYDANTOIN | | 分子名称: | (5S)-5-benzylimidazolidine-2,4-dione, HYDANTOIN TRANSPORT PROTEIN, SODIUM ION | | 著者 | Brueckner, F, Geng, T, Weyand, S, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D. | | 登録日 | 2014-05-01 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1.
Embo J., 33, 2014
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6I4H
 | | Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Ca-ATP state | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin-1, CALCIUM ION, ... | | 著者 | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | | 登録日 | 2018-11-09 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
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5M9N
 | | Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide | | 分子名称: | 1,2-ETHANEDIOL, E2F peptide, N3, ... | | 著者 | Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-11-01 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically
dimethylated E2F peptide
To Be Published
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2RL5
 | | Crystal structure of the VEGFR2 kinase domain in complex with a 2,3-dihydro-1,4-benzoxazine inhibitor | | 分子名称: | N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-4-CARBOXAMIDE, Vascular endothelial growth factor receptor 2 | | 著者 | Whittington, D.A, Long, A.M, Rose, P, Zhao, H. | | 登録日 | 2007-10-18 | | 公開日 | 2008-04-08 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Novel 2,3-dihydro-1,4-benzoxazines as potent and orally bioavailable inhibitors of tumor-driven angiogenesis.
J.Med.Chem., 51, 2008
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3VD2
 | | structure of p73 DNA binding domain tetramer modulates p73 transactivation | | 分子名称: | DNA (5'-D(*AP*TP*GP*GP*AP*CP*AP*TP*GP*TP*CP*CP*AP*T)-3'), Tumor protein p73, ZINC ION | | 著者 | Ethayathulla, A.S, Tse, P.W, Nguyen, S, Viadiu, H. | | 登録日 | 2012-01-04 | | 公開日 | 2012-04-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Structure of p73 DNA-binding domain tetramer modulates p73 transactivation.
Proc.Natl.Acad.Sci.USA, 109, 2012
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