5EU8
 
 | | Structure of FIPV main protease in complex with dual inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, ZINC ION, ... | | Authors: | Wang, F, Chen, C, Liu, X, Yang, K, Xu, X, Yang, H. | | Deposit date: | 2015-11-18 | | Release date: | 2015-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.447 Å) | | Cite: | Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors
J.Virol., 90, 2015
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5BJS
 | | Apo ctPRC2 in an autoinhibited state | | Descriptor: | Histone-lysine N-methyltransferase EZH2, Polycomb protein SUZ12, Polycomb Protein EED, ... | | Authors: | Bratkowski, M.A, Liu, X. | | Deposit date: | 2016-10-22 | | Release date: | 2017-06-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.189 Å) | | Cite: | Polycomb repressive complex 2 in an autoinhibited state.
J. Biol. Chem., 292, 2017
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2QZ9
 | | crystal structure of aspartate semialdehyde dehydrogenase II from vibrio cholerae | | Descriptor: | Aspartate-semialdehyde dehydrogenase | | Authors: | Viola, R.E, Liu, X, Ohren, J.F, Faehnle, C.R. | | Deposit date: | 2007-08-16 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of a redundant enzyme: a second isoform of aspartate beta-semialdehyde dehydrogenase in Vibrio cholerae.
Acta Crystallogr.,Sect.D, 64, 2008
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5JPU
 | | Structure of limonene epoxide hydrolase mutant - H-2-H5 complex with (S,S)-cyclohexane-1,2-diol | | Descriptor: | (1S,2S)-cyclohexane-1,2-diol, limonene epoxide hydrolase | | Authors: | Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
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3DBQ
 | | Crystal structure of TTK kinase domain | | Descriptor: | Dual specificity protein kinase TTK | | Authors: | Wang, W, Yang, Y.T, Gao, Y.F, Zhu, S.C, Wang, F, Old, W, Xu, Q.B, Resing, K, Ahn, N, Lei, M, Liu, X.D. | | Deposit date: | 2008-06-02 | | Release date: | 2009-02-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Mechanistic Insights into Mps1 Kinase Activation
J.CELL.MOL.MED., 13, 2008
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2R00
 | | crystal structure of aspartate semialdehyde dehydrogenase II complexed with ASA from vibrio cholerae | | Descriptor: | 2,2'-oxydiacetic acid, Aspartate-semialdehyde dehydrogenase | | Authors: | Viola, R.E, Liu, X, Ohren, J.F, Faehnle, C.R. | | Deposit date: | 2007-08-17 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The structure of a redundant enzyme: a second isoform of aspartate beta-semialdehyde dehydrogenase in Vibrio cholerae.
Acta Crystallogr.,Sect.D, 64, 2008
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3NR2
 | | Crystal structure of Caspase-6 zymogen | | Descriptor: | Caspase-6 | | Authors: | Su, X.-D, Wang, X.-J, Liu, X, Mi, W, Wang, K.-T. | | Deposit date: | 2010-06-30 | | Release date: | 2010-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation
Embo Rep., 11, 2010
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5YK9
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2F7Z
 | | Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine | | Descriptor: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE, PKI, inhibitory peptide, ... | | Authors: | Li, Q, Woods, K.W, Thomas, S, Zhu, G.D, Packard, G, Fisher, J, Li, T, Gong, J, Dinges, J, Song, X, Abrams, J, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Des Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | | Deposit date: | 2005-12-01 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
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4JFG
 | | Crystal structure of sfGFP-66-HqAla | | Descriptor: | CESIUM ION, Green fluorescent protein, quinolin-8-ol | | Authors: | Wang, J, Liu, X, Li, J, Zhang, W, Hu, M, Zhou, J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Significant expansion of the fluorescent protein chromophore through the genetic incorporation of a metal-chelating unnatural amino acid.
Angew.Chem.Int.Ed.Engl., 52, 2013
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5GPE
 | | Crystal structure of the transcription regulator PbrR691 from Ralstonia metallidurans CH34 in complex with Lead(II) | | Descriptor: | LEAD (II) ION, Transcriptional regulator, MerR-family | | Authors: | Huang, S.Q, Chen, W.Z, Wang, D, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H. | | Deposit date: | 2016-08-01 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural Basis for the Selective Pb(II) Recognition of Metalloregulatory Protein PbrR691
Inorg Chem, 55, 2016
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6A6O
 | | Crystal structure of acetyl ester-xyloside bifunctional hydrolase from Caldicellulosiruptor lactoaceticus | | Descriptor: | Esterase/lipase-like protein | | Authors: | Cao, H, Huang, Y, Sun, L.C, Liu, X, Liu, T.F, Wang, F.Z, Xin, F.J. | | Deposit date: | 2018-06-28 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights into the Dual-Substrate Recognition and Catalytic Mechanisms of a Bifunctional Acetyl Ester-Xyloside Hydrolase from Caldicellulosiruptor lactoaceticus.
Acs Catalysis, 9, 2019
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3OD5
 | | Crystal structure of active caspase-6 bound with Ac-VEID-CHO | | Descriptor: | CACODYLATE ION, Caspase-6, peptide aldehyde inhibitor AC-VEID-CHO | | Authors: | Wang, X.-J, Liu, X, Wang, K.-T, Cao, Q, Su, X.-D. | | Deposit date: | 2010-08-11 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation
Embo Rep., 11, 2010
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2VAS
 | | Myosin VI (MD-insert2-CaM, Delta-Insert1) Post-rigor state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ... | | Authors: | Menetrey, J, Llinas, P, Cicolari, J, Squires, G, Liu, X, Li, A, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2007-09-04 | | Release date: | 2007-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Post-Rigor Structure of Myosin Vi and Implications for the Recovery Stroke.
Embo J., 27, 2008
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3J0C
 | | Models of E1, E2 and CP of Venezuelan Equine Encephalitis Virus TC-83 strain restrained by a near atomic resolution cryo-EM map | | Descriptor: | Capsid protein, E1 envelope glycoprotein, E2 envelope glycoprotein | | Authors: | Zhang, R, Hryc, C.F, Cong, Y, Liu, X, Jakana, J, Gorchakov, R, Baker, M.L, Weaver, S.C, Chiu, W. | | Deposit date: | 2011-06-22 | | Release date: | 2011-08-24 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | 4.4 A cryo-EM structure of an enveloped alphavirus Venezuelan equine encephalitis virus.
Embo J., 30, 2011
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2MU3
 | | Spider wrapping silk fibre architecture arising from its modular soluble protein precursor | | Descriptor: | Aciniform spidroin 1 | | Authors: | Xu, L, Tremblay, M, Meng, Q, Liu, X, Rainey, J.K, Lefevre, T, Sarker, M, Orrell, K.E, Leclerc, J, Pezolet, M, Auger, M. | | Deposit date: | 2014-09-03 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Spider wrapping silk fibre architecture arising from its modular soluble protein precursor.
Sci Rep, 5, 2015
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5Y6M
 | | Zika virus helicase in complex with ADP-AlF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Helicase domain from Genome polyprotein, ... | | Authors: | Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T. | | Deposit date: | 2017-08-12 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Mechanism of ATP hydrolysis by the Zika virus helicase.
FASEB J., 32, 2018
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5VR7
 | | ABA-mimicking ligand AMF1alpha in complex with ABA receptor PYL2 and PP2C HAB1 | | Descriptor: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.E, Zhu, J.-K. | | Deposit date: | 2017-05-10 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
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5VSQ
 | | ABA-mimicking ligand AMF2beta in complex with ABA receptor PYL2 and PP2C HAB1 | | Descriptor: | 1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K. | | Deposit date: | 2017-05-12 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.618 Å) | | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
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5VS5
 | | ABA-mimicking ligand AMF2alpha in complex with ABA receptor PYL2 and PP2C HAB1 | | Descriptor: | 1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-W, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.E, Zhu, J.-K. | | Deposit date: | 2017-05-11 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
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5VRO
 | | ABA-mimicking ligand AMF1beta in complex with ABA receptor PYL2 and PP2C HAB1 | | Descriptor: | 1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K. | | Deposit date: | 2017-05-11 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.257 Å) | | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
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5VT7
 | | ABA-mimicking ligand AMC1beta in complex with ABA receptor PYL2 and PP2C HAB1 | | Descriptor: | 1-(3-chloro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | Authors: | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K. | | Deposit date: | 2017-05-15 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.624 Å) | | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
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5ZHP
 | | M3 muscarinic acetylcholine receptor in complex with a selective antagonist | | Descriptor: | (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | | Authors: | Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P. | | Deposit date: | 2018-03-13 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8GY8
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6KHP
 | | Crystal structure of Oryza sativa TDC with PLP and tryptamine | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, ACETATE ION, CALCIUM ION, ... | | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | Deposit date: | 2019-07-16 | | Release date: | 2020-07-15 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
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