4Q94
| human RPRD1B CID in complex with a RPB1-CTD derived Ser2 phosphorylated peptide | Descriptor: | Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2014-04-29 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation. Nat.Struct.Mol.Biol., 21, 2014
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4G3Y
| Crystal structure of TNF-alpha in complex with Infliximab Fab fragment | Descriptor: | Tumor necrosis factor, infliximab Fab H, infliximab Fab L | Authors: | Liang, S.Y, Dai, J.X, Guo, Y.J, Lou, Z.Y. | Deposit date: | 2012-07-15 | Release date: | 2013-03-27 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for treating tumor necrosis factor alpha (TNFalpha)-associated diseases with the therapeutic antibody infliximab J.Biol.Chem., 288, 2013
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3IU3
| Crystal structure of the Fab fragment of therapeutic antibody Basiliximab in complex with IL-2Ra (CD25) ectodomain | Descriptor: | Heavy chain of Fab fragment of Basiliximab, Interleukin-2 receptor alpha chain, Light chain of Fab fragment of Basiliximab, ... | Authors: | Du, J, Yang, H, Wang, J, Ding, J. | Deposit date: | 2009-08-29 | Release date: | 2010-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for the blockage of IL-2 signaling by therapeutic antibody basiliximab J.Immunol., 184, 2010
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5OEP
| Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481 | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | Deposit date: | 2017-07-09 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEQ
| Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | Deposit date: | 2017-07-09 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEL
| Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | Deposit date: | 2017-07-08 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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6QLY
| IDOL FERM domain | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase MYLIP, SULFATE ION | Authors: | Martinelli, L, Sixma, T.K. | Deposit date: | 2019-02-01 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of the LDL receptor-interacting FERM domain in the E3 ubiquitin ligase IDOL reveals an obscured substrate-binding site. J.Biol.Chem., 295, 2020
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4QLW
| Azurin mutant M121E with iron | Descriptor: | Azurin, FE (III) ION, NITRATE ION, ... | Authors: | Liu, J, Robinson, H, Lu, Y. | Deposit date: | 2014-06-13 | Release date: | 2014-08-13 | Last modified: | 2014-10-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redesigning the Blue Copper Azurin into a Redox-Active Mononuclear Nonheme Iron Protein: Preparation and Study of Fe(II)-M121E Azurin. J.Am.Chem.Soc., 136, 2014
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4QKT
| Azurin mutant M121EM44K with copper | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Azurin, ... | Authors: | Liu, J, Robinson, H, Lu, Y. | Deposit date: | 2014-06-09 | Release date: | 2014-08-13 | Last modified: | 2014-10-01 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Redesigning the Blue Copper Azurin into a Redox-Active Mononuclear Nonheme Iron Protein: Preparation and Study of Fe(II)-M121E Azurin. J.Am.Chem.Soc., 136, 2014
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5GJ9
| Crystal structure of Arabidopsis thaliana ACO2 in complex with POA | Descriptor: | 1-aminocyclopropane-1-carboxylate oxidase 2, PYRAZINE-2-CARBOXYLIC ACID, ZINC ION | Authors: | Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W. | Deposit date: | 2016-06-28 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase. Nat Commun, 8, 2017
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5GJA
| Crystal structure of Arabidopsis thaliana ACO2 in complex with 2-PA | Descriptor: | 1-aminocyclopropane-1-carboxylate oxidase 2, PYRIDINE-2-CARBOXYLIC ACID, ZINC ION | Authors: | Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W. | Deposit date: | 2016-06-28 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase. Nat Commun, 8, 2017
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3WD5
| Crystal structure of TNFalpha in complex with Adalimumab Fab fragment | Descriptor: | Adalimumab Heavy Chain, Adalimumab Light Chain, Tumor necrosis factor | Authors: | Hu, S, Liang, S.Y, Guo, Y.J, Lou, Z.Y. | Deposit date: | 2013-06-06 | Release date: | 2013-08-14 | Last modified: | 2015-07-01 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Comparison of the inhibition mechanisms of adalimumab and infliximab in treating tumor necrosis factor alpha-associated diseases from a molecular view J.Biol.Chem., 288, 2013
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6X4X
| B24Y DKP insulin | Descriptor: | Insulin, Insulin chain A | Authors: | Weiss, M.A, Yang, Y. | Deposit date: | 2020-05-24 | Release date: | 2020-08-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Evolution of insulin at the edge of foldability and its medical implications. Proc.Natl.Acad.Sci.USA, 117, 2020
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7RHP
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7WP8
| Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 heavy chain, ... | Authors: | Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N. | Deposit date: | 2022-01-23 | Release date: | 2023-03-08 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine. Cell Host Microbe, 30, 2022
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7WP6
| Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 36H6 heavy chain, ... | Authors: | Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N. | Deposit date: | 2022-01-23 | Release date: | 2023-03-01 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine. Cell Host Microbe, 30, 2022
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5V2I
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1F40
| SOLUTION STRUCTURE OF FKBP12 COMPLEXED WITH GPI-1046, A NEUROTROPHIC LIGAND | Descriptor: | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE, FK506 BINDING PROTEIN (FKBP12) | Authors: | Sich, C, Improta, S, Cowley, D.J, Guenet, C, Merly, J.P, Teufel, M, Saudek, V. | Deposit date: | 2000-06-07 | Release date: | 2000-11-08 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of a neurotrophic ligand bound to FKBP12 and its effects on protein dynamics. Eur.J.Biochem., 267, 2000
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4DWL
| Avd molecule from Bordetella bacteriophage DGR | Descriptor: | Bbp7, PHOSPHATE ION | Authors: | Ghosh, P, Al-Ayyoubi, M. | Deposit date: | 2012-02-24 | Release date: | 2013-02-27 | Last modified: | 2015-01-14 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structure of the essential diversity-generating retroelement protein bAvd and its functionally important interaction with reverse transcriptase. Structure, 21, 2013
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4E1N
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4E1M
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5H25
| EED in complex with PRC2 allosteric inhibitor compound 11 | Descriptor: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-14 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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5GM2
| Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1 | Descriptor: | (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H. | Deposit date: | 2016-07-12 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD Biochem.J., 473, 2016
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5H24
| EED in complex with PRC2 allosteric inhibitor compound 8 | Descriptor: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-14 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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5GM1
| Crystal structure of methyltransferase TleD complexed with SAH | Descriptor: | O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H. | Deposit date: | 2016-07-12 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD Biochem.J., 473, 2016
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