5IM1
 
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5ILD
 | | Tobacco 5-epi-aristolochene synthase with MES buffer molecule and Mg2+ ions | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-epi-aristolochene synthase, MAGNESIUM ION | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
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4RAG
 | | CRYSTAL STRUCTURE of PPC2A-D38K | | Descriptor: | MANGANESE (II) ION, Protein phosphatase 1A | | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | | Deposit date: | 2014-09-10 | | Release date: | 2015-08-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The catalytic role of the M2 metal ion in PP2C alpha
Sci Rep, 5, 2015
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4RAF
 | | Crystal structure of PP2Ca-D38A | | Descriptor: | MANGANESE (II) ION, Protein phosphatase 1A | | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | | Deposit date: | 2014-09-10 | | Release date: | 2015-08-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | The catalytic role of the M2 metal ion in PP2C alpha
Sci Rep, 5, 2015
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3SHB
 | | Crystal Structure of PHD Domain of UHRF1 | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Histone H3 peptide, ZINC ION | | Authors: | Hu, L, Li, Z, Wang, P, Lin, Y, Xu, Y. | | Deposit date: | 2011-06-16 | | Release date: | 2011-08-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of PHD domain of UHRF1 and insights into recognition of unmodified histone H3 arginine residue 2.
Cell Res., 2011
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4RA2
 | | PP2Ca | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A | | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | | Deposit date: | 2014-09-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | The catalytic role of the M2 metal ion in PP2Ca
SCI REP, 2015
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6KLB
 | | Structure of LbCas12a-crRNA complex bound to AcrVA4 (form B complex) | | Descriptor: | AcrVA4, LbCas12a, MAGNESIUM ION, ... | | Authors: | Peng, R, Li, Z, Xu, Y, He, S, Peng, Q, Shi, Y, Gao, G.F. | | Deposit date: | 2019-07-30 | | Release date: | 2019-09-11 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insight into multistage inhibition of CRISPR-Cas12a by AcrVA4.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6KUA
 | | Crystal structure of the nicotinamidase SaPncA from Staphylococcus aureus | | Descriptor: | Cysteine hydrolase, ZINC ION | | Authors: | Shang, F, Lan, J, Liu, W, Xu, Y, Chen, Y. | | Deposit date: | 2019-08-31 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Crystal structure of the nicotinamidase SaPncA from Staphylococcus aureus
To Be Published
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1VGK
 | | The crystal structure of class I Major histocompatibility complex, H-2Kd at 2.0 A resolution | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | | Authors: | Zhou, M, Xu, Y, Liu, Y, Gao, G.F, Tien, P, Rao, Z. | | Deposit date: | 2004-04-27 | | Release date: | 2005-06-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The crystal structure of class I major histocompatibility complex, H-2Kd at 2.0 A resolution
To be Published
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4G2W
 | | Crystal structure of PDE5A in complex with its inhibitor | | Descriptor: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | | Deposit date: | 2012-07-13 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
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8IHO
 | | Crystal structures of SARS-CoV-2 papain-like protease in complex with covalent inhibitors | | Descriptor: | Papain-like protease nsp3, ZINC ION, covalent inhibitor | | Authors: | Wang, Q, Hu, H, Li, M, Xu, Y. | | Deposit date: | 2023-02-23 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease.
Int J Mol Sci, 24, 2023
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8I22
 | | Acyl-ACP synthetase structure bound to pimelic acid monoethyl ester | | Descriptor: | 7-ethoxy-7-oxidanylidene-heptanoic acid, Acyl-acyl carrier protein synthetase | | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | | Deposit date: | 2023-01-13 | | Release date: | 2024-01-17 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Acyl-ACP synthetase structure bound to pimelic acid monoethyl ester
To Be Published
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8I6M
 | | Acyl-ACP synthetase structure bound to AMP-C18:1 | | Descriptor: | ADENOSINE MONOPHOSPHATE, Acyl-acyl carrier protein synthetase, MAGNESIUM ION, ... | | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | | Deposit date: | 2023-01-28 | | Release date: | 2024-01-31 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Acyl-ACP synthetase structure bound to AMP-C18:1
To Be Published
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8I35
 | | Acyl-ACP synthetase structure bound to oleic acid | | Descriptor: | Acyl-acyl carrier protein synthetase, OLEIC ACID | | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | | Deposit date: | 2023-01-16 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Acyl-ACP synthetase structure bound to oleic acid
To Be Published
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8I3I
 | | Acyl-ACP synthetase structure bound to AMP-PNP in the presence of MgCl2 | | Descriptor: | Acyl-acyl carrier protein synthetase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | | Deposit date: | 2023-01-17 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Acyl-ACP synthetase structure bound to AMP-PNP in the presence of MgCl2
To Be Published
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8I51
 | | Acyl-ACP synthetase structure bound to AMP-MC7 | | Descriptor: | 7-methoxy-7-oxidanylidene-heptanoic acid, ADENOSINE MONOPHOSPHATE, Acyl-acyl carrier protein synthetase, ... | | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | | Deposit date: | 2023-01-21 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Acyl-ACP synthetase structure bound to AMP-MC7
To Be Published
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8HZX
 | | Acyl-ACP synthetase structure-2 | | Descriptor: | Acyl-acyl carrier protein synthetase | | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | | Deposit date: | 2023-01-09 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Acyl-ACP synthetase structure-2
To Be Published
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8I49
 | | Acyl-ACP synthetase structure bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Acyl-acyl carrier protein synthetase | | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.41 Å) | | Cite: | Acyl-ACP synthetase structure bound to ATP.
To Be Published
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4G2Y
 | | Crystal structure of PDE5A complexed with its inhibitor | | Descriptor: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | | Deposit date: | 2012-07-13 | | Release date: | 2013-06-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
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6IMT
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-23 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.483 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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8JPA
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8J1X
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7XH6
 | | Crystal structure of CBP bromodomain liganded with CCS1477 | | Descriptor: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, DIMETHYL SULFOXIDE, ... | | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-04-07 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
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7XHE
 | | Crystal structure of CBP bromodomain liganded with CCS151 | | Descriptor: | (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-04-08 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
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8J1W
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