2Y4R
| CRYSTAL STRUCTURE OF 4-AMINO-4-DEOXYCHORISMATE LYASE FROM PSEUDOMONAS AERUGINOSA | 分子名称: | 1,2-ETHANEDIOL, 4-AMINO-4-DEOXYCHORISMATE LYASE, CHLORIDE ION, ... | 著者 | O'Rourke, P.E.F, Eadsforth, T.C, Fyfe, P.K, Shepard, S.M, Agacan, M, Hunter, W.N. | 登録日 | 2011-01-10 | 公開日 | 2011-01-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Pseudomonas Aeruginosa 4-Amino-4-Deoxychorismate Lyase: Spatial Conservation of an Active Site Tyrosine and Classification of Two Types of Enzyme. Plos One, 6, 2011
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8AMM
| Crystal structure of AUGUGGCAU duplex with cesium ions | 分子名称: | CESIUM ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3') | 著者 | Kiliszek, A, Rypniewski, W. | 登録日 | 2022-08-03 | 公開日 | 2022-11-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair. Rna, 29, 2022
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6PFD
| Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid. | 分子名称: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.324 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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4XFR
| Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522 | 分子名称: | CITRIC ACID, Uncharacterized protein | 著者 | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-12-28 | 公開日 | 2015-01-28 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA, 113, 2016
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7B4L
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8AML
| Crystal structure of AUGUGGCAU duplex with cadmium ions | 分子名称: | CADMIUM ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3') | 著者 | Kiliszek, A, Rypniewski, W. | 登録日 | 2022-08-03 | 公開日 | 2022-11-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair. Rna, 29, 2022
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8AMK
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8AMN
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2XDO
| Structure of the Tetracycline degrading Monooxygenase TetX2 from Bacteroides thetaiotaomicron | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TETX2 PROTEIN | 著者 | Volkers, G, Palm, G.J, Wright, G.D, Hinrichs, W. | 登録日 | 2010-05-05 | 公開日 | 2011-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural Basis for a New Tetracycline Resistance Mechanism Relying on the Tetx Monooxygenase. FEBS Lett., 585, 2011
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1EB2
| Trypsin inhibitor complex (BPO) | 分子名称: | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE, CALCIUM ION, SULFATE ION, ... | 著者 | Wilkinson, K.W, Young, S.C, Liebeschuetz, J.W, Brady, R.L. | 登録日 | 2001-07-18 | 公開日 | 2002-02-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Pro_Select: Combining Structure-Based Drug Design and Array-Based Chemistry for Rapid Lead Discovery. 2. The Development of a Series of Highly Potent and Selective Factor Xa Inhibitors J.Med.Chem., 45, 2002
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6FFT
| Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue) | 分子名称: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | 著者 | Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | 登録日 | 2018-01-09 | 公開日 | 2019-01-02 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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1RJR
| The crystal structure of the D-aminoacylase D366A mutant in complex with 100mM ZnCl2 | 分子名称: | ACETATE ION, D-aminoacylase, ZINC ION | 著者 | Lai, W.L, Chou, L.Y, Ting, C.Y, Tsai, Y.C, Liaw, S.H. | 登録日 | 2003-11-20 | 公開日 | 2004-04-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The functional role of the binuclear metal center in D-aminoacylase: one-metal activation and second-metal attenuation. J.Biol.Chem., 279, 2004
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6PF8
| Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid | 分子名称: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.533 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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4X9W
| PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 4C | 分子名称: | Macrocyclic phosphopeptide 4C, Serine/threonine-protein kinase PLK1 | 著者 | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | 登録日 | 2014-12-11 | 公開日 | 2015-07-29 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles. Biopolymers, 104, 2015
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1BX3
| EFFECTS OF COMMONLY USED CRYOPROTECTANTS ON GLYCOGEN PHOSPHORYLASE ACTIVITY AND STRUCTURE | 分子名称: | PROTEIN (GLYCOGEN PHOSPHORYLASE B), PYRIDOXAL-5'-PHOSPHATE | 著者 | Tsitsanou, K.E, Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Gregoriou, M, Watson, K.A, Johnson, L.N, Fleet, G.W.J. | 登録日 | 1999-10-13 | 公開日 | 1999-10-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Effects of commonly used cryoprotectants on glycogen phosphorylase activity and structure. Protein Sci., 8, 1999
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4XBC
| 1.60 A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Hexagonal Form) | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE, TETRAETHYLENE GLYCOL | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | 登録日 | 2014-12-16 | 公開日 | 2015-03-25 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015
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8A9G
| Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1 | 分子名称: | 14-3-3 protein zeta/delta, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid, ... | 著者 | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | 登録日 | 2022-06-28 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.961 Å) | 主引用文献 | Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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4XFM
| Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer | 分子名称: | THREONATE ION, Uncharacterized protein | 著者 | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-12-27 | 公開日 | 2015-04-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA, 113, 2016
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7BU2
| Structure of alcohol dehydrogenase YjgB from Escherichia coli | 分子名称: | Alcohol dehydrogenase, GLYCEROL, NITRATE ION, ... | 著者 | Nguyen, G.T, Kim, Y.-G, Ahn, J.-W, Chang, J.H. | 登録日 | 2020-04-03 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.553 Å) | 主引用文献 | Structural Basis for Broad Substrate Selectivity of Alcohol Dehydrogenase YjgB from Escherichia coli . Molecules, 25, 2020
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7U29
| Structure of SARS-CoV-2 Mpro mutant (K90R) in complex with Nirmatrelvir (PF-07321332) | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | 登録日 | 2022-02-23 | 公開日 | 2022-03-09 | 最終更新日 | 2022-06-15 | 実験手法 | X-RAY DIFFRACTION (2.088 Å) | 主引用文献 | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants. J.Biol.Chem., 298, 2022
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4XGJ
| Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, APO structure, domain swapped dimer | 分子名称: | Uncharacterized protein | 著者 | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-12-30 | 公開日 | 2015-02-18 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA, 113, 2016
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7U28
| Structure of SARS-CoV-2 Mpro Lambda (G15S) in complex with Nirmatrelvir (PF-07321332) | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. | 登録日 | 2022-02-23 | 公開日 | 2022-03-09 | 最終更新日 | 2022-06-15 | 実験手法 | X-RAY DIFFRACTION (1.679 Å) | 主引用文献 | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants. J.Biol.Chem., 298, 2022
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4XHV
| Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ... | 著者 | Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B. | 登録日 | 2015-01-06 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function. Nat Commun, 6, 2015
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8AC5
| Complex III2 from Yarrowia lipolytica, with decylubiquinol, oxidised, b-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-05 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8ABI
| Complex III2 from Yarrowia lipolytica,antimycin A bound, int-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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