5ZMY
 
 | | Crystal structure of a cis-epoxysuccinate hydrolase producing D(-)-tartaric acids | | Descriptor: | Cis-epoxysuccinate hydrolase, D(-)-TARTARIC ACID, ZINC ION | | Authors: | Dong, S, Liu, X, Wang, X, Feng, Y. | | Deposit date: | 2018-04-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural insight into the catalytic mechanism of a cis-epoxysuccinate hydrolase producing enantiomerically pure d(-)-tartaric acid.
Chem. Commun. (Camb.), 54, 2018
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5ZCJ
 | | Crystal structure of complex | | Descriptor: | TP53-binding protein 1, Tudor-interacting repair regulator protein | | Authors: | Wang, J, Yuan, Z, Cui, Y, Xie, R, Wang, M, Ma, Y, Yu, X, Liu, X. | | Deposit date: | 2018-02-17 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Crystal structure of complex
To Be Published
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5ZMU
 | | Crystal structure of a cis-epoxysuccinate hydrolase producing D(-)-tartaric acids | | Descriptor: | Cis-epoxysuccinate hydrolase, ZINC ION | | Authors: | Dong, S, Liu, X, Wang, X, Feng, Y. | | Deposit date: | 2018-04-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insight into the catalytic mechanism of a cis-epoxysuccinate hydrolase producing enantiomerically pure d(-)-tartaric acid.
Chem. Commun. (Camb.), 54, 2018
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8HD4
 | | Full-length crystal structure of mycobacterium tuberculosis FadD23 in complex with AMPC16 | | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, palmitoyl adenylate | | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | | Deposit date: | 2022-11-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
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8HCZ
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8HDF
 | | Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM | | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | | Deposit date: | 2022-11-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
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5ZQY
 | | Crystal structure of a poly(ADP-ribose) glycohydrolase | | Descriptor: | MAGNESIUM ION, Poly(ADP-ribose) glycohydrolase ARH3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Wang, M, Yuan, Z, Ma, Y, Wang, J, Liu, X. | | Deposit date: | 2018-04-20 | | Release date: | 2018-08-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.577 Å) | | Cite: | Structure-function analyses reveal the mechanism of the ARH3-dependent hydrolysis of ADP-ribosylation.
J. Biol. Chem., 293, 2018
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5YK9
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4RRO
 | | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | | Descriptor: | (4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | | Deposit date: | 2014-11-06 | | Release date: | 2014-12-03 | | Last modified: | 2014-12-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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6JBZ
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8ILR
 | | Cryo-EM structure of PI3Kalpha in complex with compound 16 | | Descriptor: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8ILS
 | | Cryo-EM structure of PI3Kalpha in complex with compound 17 | | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8INT
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8INX
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Lin, M, Liu, X. | | Deposit date: | 2023-03-10 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir
To Be Published
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8INW
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8INY
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Lin, M, Liu, X. | | Deposit date: | 2023-03-10 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir
To Be Published
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8IWK
 | | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | | Authors: | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | | Deposit date: | 2023-03-30 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state
To Be Published
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8IWJ
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8INQ
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8IWN
 | | ABCG25 EQ mutant in ATP-bound state | | Descriptor: | ABC transporter G family member 25, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | | Deposit date: | 2023-03-30 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | ABCG25 EQ mutant in ATP-bound state
To Be Published
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8J2G
 | | Human ZnT1-D47N/D255N mutant | | Descriptor: | Proton-coupled zinc antiporter SLC30A1 | | Authors: | Sun, L, Liu, X, Sun, C, He, B. | | Deposit date: | 2023-04-14 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the human ZnT1-D47N/D255N double mutant
To Be Published
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8JH5
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8ILV
 | | Cryo-EM structure of PI3Kalpha in complex with compound 18 | | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8Q4L
 | | GBP1 bound by 14-3-3sigma | | Descriptor: | 14-3-3 protein sigma, Guanylate-binding protein 1 | | Authors: | Pfleiderer, M.M, Liu, X, Fisch, D, Anastasakou, E, Frickel, E.M, Galej, W.P. | | Deposit date: | 2023-08-07 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (5.12 Å) | | Cite: | PIM1 controls GBP1 activity to limit self-damage and to guard against pathogen infection.
Science, 382, 2023
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6A9Y
 | | The crystal structure of Mu homology domain of SGIP1 | | Descriptor: | SH3-containing GRB2-like protein 3-interacting protein 1 | | Authors: | Feng, Y, Liu, X. | | Deposit date: | 2018-07-16 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | SGIP1 dimerizes via intermolecular disulfide bond in mu HD domain during cellular endocytosis.
Biochem. Biophys. Res. Commun., 505, 2018
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