5ZZ8
 
 | | Structure of the Herpes simplex virus type 2 C-capsid with capsid-vertex-specific component | | Descriptor: | Major capsid protein, UL17, UL25, ... | | Authors: | Wang, J.L, Yuan, S, Zhu, D.J, Tang, H, Wang, N, Chen, W.Y, Gao, Q, Li, Y.H, Wang, J.Z, Liu, H.R, Zhang, X.Z, Rao, Z.H, Wang, X.X. | | Deposit date: | 2018-05-31 | | Release date: | 2018-10-10 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Structure of the herpes simplex virus type 2 C-capsid with capsid-vertex-specific component.
Nat Commun, 9, 2018
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4LEI
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4AVY
 | | The AEROPATH project and Pseudomonas aeruginosa high-throughput crystallographic studies for assessment of potential targets in early stage drug discovery. | | Descriptor: | PROBABLE SHORT-CHAIN DEHYDROGENASE | | Authors: | Moynie, L, McMahon, S.A, Alphey, M.S, Liu, H, Duthie, F, Naismith, J.H. | | Deposit date: | 2012-05-30 | | Release date: | 2012-12-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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4B79
 | | THE AEROPATH PROJECT AND PSEUDOMONAS AERUGINOSA HIGH-THROUGHPUT CRYSTALLOGRAPHIC STUDIES FOR ASSESSMENT OF POTENTIAL TARGETS IN EARLY STAGE DRUG DISCOVERY. | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROBABLE SHORT-CHAIN DEHYDROGENASE | | Authors: | Moynie, L, McMahon, S.A, Alphey, M.S, Liu, H, Duthie, F, Naismith, J.H. | | Deposit date: | 2012-08-16 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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3TEK
 | | ThermoDBP: a non-canonical single-stranded DNA binding protein with a novel structure and mechanism | | Descriptor: | ThermoDBP-single stranded DNA binding protein | | Authors: | White, M.F, Paytubi, S, Liu, H, Graham, S, McMahon, S.A, Naismith, J.H. | | Deposit date: | 2011-08-15 | | Release date: | 2011-11-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Displacement of the canonical single-stranded DNA-binding protein in the Thermoproteales.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2ALW
 | | Golgi alpha-mannosidase II complex with Noeuromycin | | Descriptor: | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Bols, M.B, Liu, H, Rose, D.R. | | Deposit date: | 2005-08-08 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The role of the active site Zn in the catalytic mechanism of the GH38 Golgi alpha-mannosidase II: implications from noeuromycin inhibition
Biocatal.Biotransfor., 34, 2006
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8JPD
 | | Focused refinement structure of GRK2 in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | Beta-adrenergic receptor kinase 1, STAUROSPORINE | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPE
 | | Focused refinement structure of Galpha(q) in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(q) subunit alpha, MAGNESIUM ION, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPF
 | | Focused refiment structure of NTSR1 in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, NTS, Neurotensin receptor type 1 | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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4AVR
 | | Crystal structure of the hypothetical protein Pa4485 from Pseudomonas aeruginosa | | Descriptor: | PA4485 | | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Alphey, M.S, Naismith, J.H. | | Deposit date: | 2012-05-29 | | Release date: | 2013-01-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery.
Acta Crystallogr.,Sect.F, 69, 2013
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8JP2
 | | Crystal structure of AKR1C1 in complex with DFV | | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | | Deposit date: | 2023-06-10 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
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3J6Q
 | | Identification of the active sites in the methyltransferases of a transcribing dsRNA virus | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, Structural protein VP3 | | Authors: | Zhu, B, Yang, C, Liu, H, Cheng, L, Song, F, Zeng, S, Huang, X, Ji, G, Zhu, P. | | Deposit date: | 2014-03-20 | | Release date: | 2014-10-08 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Identification of the active sites in the methyltransferases of a transcribing dsRNA virus.
J.Mol.Biol., 426, 2014
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2IVY
 | | Crystal structure of hypothetical protein sso1404 from Sulfolobus solfataricus P2 | | Descriptor: | HYPOTHETICAL PROTEIN SSO1404 | | Authors: | Yan, X, Carter, L.G, Dorward, M, Liu, H, McMahon, S.A, Oke, M, Powers, H, White, M.F, Naismith, J.H. | | Deposit date: | 2006-06-22 | | Release date: | 2006-06-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
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7V6H
 | | Crystal Structure of the SpnL | | Descriptor: | Cyclopropane fatty-acyl-phospholipid synthase-like methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Wu, H.-H, Ko, T.-P, Liu, H.-W, Tsai, M.-D. | | Deposit date: | 2021-08-20 | | Release date: | 2021-12-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.054 Å) | | Cite: | Evidence for an Enzyme-Catalyzed Rauhut-Currier Reaction during the Biosynthesis of Spinosyn A.
J.Am.Chem.Soc., 143, 2021
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2JG5
 | | CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOFRUCTOKINASE FROM STAPHYLOCOCCUS AUREUS | | Descriptor: | FRUCTOSE 1-PHOSPHATE KINASE | | Authors: | Yan, X, Carter, L.G, Johnson, K.A, Liu, H, Dorward, M, McMahon, S.A, Oke, M, Powers, H, Coote, P.J, Naismith, J.H. | | Deposit date: | 2007-02-08 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
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2JG6
 | | CRYSTAL STRUCTURE OF A 3-METHYLADENINE DNA GLYCOSYLASE I FROM STAPHYLOCOCCUS AUREUS | | Descriptor: | DNA-3-METHYLADENINE GLYCOSIDASE, ZINC ION | | Authors: | Yan, X, Carter, L.G, Liu, H, Dorward, M, McMahon, S.A, Johnson, K.A, Oke, M, Coote, P.J, Naismith, J.H. | | Deposit date: | 2007-02-08 | | Release date: | 2007-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
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4EGL
 | | Crystal structure of two tandem RNA recognition motifs of Human antigen R | | Descriptor: | ELAV-like protein 1, GLYCEROL, SULFATE ION | | Authors: | Wang, H, Zeng, F, Liu, H, Teng, M, Li, X. | | Deposit date: | 2012-03-31 | | Release date: | 2012-05-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of two tandem RNA recognition motifs of Human antigen R
To be Published
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3SJO
 | | structure of EV71 3C in complex with Rupintrivir (AG7088) | | Descriptor: | 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F. | | Deposit date: | 2011-06-21 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
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7JVB
 | | Crystal structure of the SARS-CoV-2 spike receptor-binding domain (RBD) with nanobody Nb20 | | Descriptor: | CACODYLATE ION, Nanobody Nb20, Spike protein S1 | | Authors: | Xiang, Y, Xiao, Z, Liu, H, Sang, Z, Schneidman-Duhovny, D, Zhang, C, Shi, Y. | | Deposit date: | 2020-08-20 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.287 Å) | | Cite: | Versatile and multivalent nanobodies efficiently neutralize SARS-CoV-2.
Science, 370, 2020
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7JW8
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | | Deposit date: | 2020-08-25 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
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6KY5
 | | Crystal structure of a hydrolase mutant | | Descriptor: | PET hydrolase, SULFATE ION | | Authors: | Cui, Y.L, Chen, Y.C, Liu, X.Y, Dong, S.J, Han, J, Xiang, H, Chen, Q, Liu, H.Y, Han, X, Liu, W.D, Tang, S.Y, Wu, B. | | Deposit date: | 2019-09-16 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Computational redesign of PETase for plasticbiodegradation by GRAPE strategy.
Biorxiv, 2020
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6DDA
 | | Nurr1 Covalently Modified by a Dopamine Metabolite | | Descriptor: | 5-hydroxy-1,2-dihydro-6H-indol-6-one, BROMIDE ION, Nuclear receptor subfamily 4 group A member 2, ... | | Authors: | Bruning, J.M, Wang, Y, Otrabella, F, Boxue, T, Liu, H, Bhattacharya, P, Guo, S, Holton, J.M, Fletterick, R.J, Jacobson, M.P, England, P.M. | | Deposit date: | 2018-05-09 | | Release date: | 2019-03-20 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite.
Cell Chem Biol, 26, 2019
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3ZFV
 | | Crystal structure of an archaeal CRISPR-associated Cas6 nuclease | | Descriptor: | CRISPR-ASSOCIATED ENDORIBONUCLEASE CAS6 1, GLYCEROL | | Authors: | Reeks, J, Liu, H, White, M.F, Naismith, J.H. | | Deposit date: | 2012-12-12 | | Release date: | 2013-04-03 | | Last modified: | 2013-05-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of a Dimeric Crenarchaeal Cas6 Enzyme with an Atypical Active Site for Crispr RNA Processing
Biochem.J., 452, 2013
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6ENK
 | | The X-ray crystal structure of DesE bound to desferrioxamine B | | Descriptor: | DesE, SODIUM ION, desferrioxamine B | | Authors: | Naismith, J.H, McMahon, S.A, Challis, G.L, Kadi, N, Oke, M, Liu, H, Carter, L.G, Johnson, K.A. | | Deposit date: | 2017-10-05 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Desferrioxamine biosynthesis: diverse hydroxamate assembly by substrate-tolerant acyl transferase DesC.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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3NVQ
 | | Molecular mechanism of guidance cue recognition | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-C1, ... | | Authors: | Juo, Z, Liu, H, Shim, A, Focia, P, Chen, X, Garcia, C, He, X. | | Deposit date: | 2010-07-08 | | Release date: | 2010-09-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Semaphorin-Plexin Recognition and Viral Mimicry from Sema7A and A39R Complexes with PlexinC1.
Cell(Cambridge,Mass.), 142, 2010
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