5DO2
 
 | | Complex structure of MERS-RBD bound with 4C2 antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C2 heavy chain, 4C2 light chain, ... | | Authors: | Li, Y, Wan, Y, Liu, P, Zhao, J, Lu, G, Qi, J, Wang, Q, Lu, X, Wu, Y, Liu, W, Yuen, K.Y, Perlman, S, Gao, G.F, Yan, J. | | Deposit date: | 2015-09-10 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.409 Å) | | Cite: | A humanized neutralizing antibody against MERS-CoV targeting the receptor-binding domain of the spike protein.
Cell Res., 25, 2015
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4OJX
 | | crystal structure of yeast phosphodiesterase-1 in complex with GMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, GUANOSINE-5'-MONOPHOSPHATE, ... | | Authors: | Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H. | | Deposit date: | 2014-01-21 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
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4OJV
 | | Crystal structure of unliganded yeast PDE1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, ... | | Authors: | Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H. | | Deposit date: | 2014-01-21 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
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3V94
 | | TcrPDEC1 catalytic domain in complex with inhibitor wyq16 | | Descriptor: | Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H. | | Deposit date: | 2011-12-23 | | Release date: | 2012-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | TcrPDEC1 catalytic domain in complex with inhibitor wyq16
To be Published
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3V93
 | | unliganded structure of TcrPDEC1 catalytic domain | | Descriptor: | Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION | | Authors: | Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H. | | Deposit date: | 2011-12-23 | | Release date: | 2012-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biological and structural characterization of Trypanosoma cruzi phosphodiesterase C and Implications for design of parasite selective inhibitors.
J.Biol.Chem., 287, 2012
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6JJ7
 | | Crystal structure of OsHXK6-Glc complex | | Descriptor: | Rice hexokinase 6, beta-D-glucopyranose | | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | | Deposit date: | 2019-02-25 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of OsHXK6-Glc complex
To Be Published
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6JJ4
 | | Crystal structure of OsHXK6-apo form | | Descriptor: | Hexokinase-6 | | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | | Deposit date: | 2019-02-25 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of OsHXK6-apo
To Be Published
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6JJ9
 | | Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Hexokinase-6, MAGNESIUM ION, ... | | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | | Deposit date: | 2019-02-25 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex
To Be Published
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6JJ8
 | | Crystal structure of OsHXK6-ATP-Mg2+ complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | | Deposit date: | 2019-02-25 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of OsHXK6-ATP-Mg2+ complex
To Be Published
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4JGV
 | | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | | Deposit date: | 2013-03-04 | | Release date: | 2013-12-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
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2VGP
 | | Crystal structure of Aurora B kinase in complex with a aminothiazole inhibitor | | Descriptor: | 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A | | Authors: | Andersen, C.B, Wan, Y, Chang, J.W, Lee, C, Liu, Y, Sessa, F, Villa, F, Nallan, L, Musacchio, A, Gray, N.S. | | Deposit date: | 2007-11-15 | | Release date: | 2008-02-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Selective Aminothiazole Aurora Kinase Inhibitors
Acs Chem.Biol., 3, 2008
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6VW1
 | | Structure of SARS-CoV-2 chimeric receptor-binding domain complexed with its receptor human ACE2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shang, J, Ye, G, Shi, K, Wan, Y.S, Aihara, H, Li, F. | | Deposit date: | 2020-02-18 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structural basis of receptor recognition by SARS-CoV-2.
Nature, 581, 2020
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1ZLT
 | | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog | | Descriptor: | (4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Lee, C.C, Ng, K, Wan, Y, Gray, N, Spraggon, G. | | Deposit date: | 2005-05-09 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog
To be Published
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6JL1
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6JKZ
 | | Crystal structure of VvPlpA from Vibrio vulnificus | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CHLORIDE ION, Thermolabile hemolysin | | Authors: | Ma, Q, Wan, Y, Liu, C. | | Deposit date: | 2019-03-03 | | Release date: | 2019-05-15 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.397 Å) | | Cite: | Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad.
J.Biol.Chem., 294, 2019
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6JL2
 | | Crystal structure of VvPlpA G389N from Vibrio vulnificus | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, HEXAETHYLENE GLYCOL, Thermolabile hemolysin | | Authors: | Ma, Q, Wan, Y, Liu, C. | | Deposit date: | 2019-03-03 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad.
J.Biol.Chem., 294, 2019
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6JL0
 | | Crystal structure of VvPlpA from Vibrio vulnificus | | Descriptor: | BROMIDE ION, Thermolabile hemolysin | | Authors: | Ma, Q, Wan, Y, Liu, C. | | Deposit date: | 2019-03-03 | | Release date: | 2019-05-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.073 Å) | | Cite: | Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad.
J.Biol.Chem., 294, 2019
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5VOV
 | | Structure of AMPA receptor-TARP complex | | Descriptor: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | | Authors: | Zhao, Y, Chen, S, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2017-05-03 | | Release date: | 2017-07-12 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
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5H7O
 | | Crystal structure of DJ-101 in complex with tubulin protein | | Descriptor: | 2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Arnst, K, Wang, Y, Hwang, D.-J, Xue, Y, Costello, T, Hamilton, D, Chen, Q, Yang, J, Park, F, Dalton, J.T, Miller, D.D, Li, W. | | Deposit date: | 2016-11-20 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Potent, Metabolically Stable Tubulin Inhibitor Targets the Colchicine Binding Site and Overcomes Taxane Resistance.
Cancer Res., 78, 2018
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5AGS
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | Descriptor: | 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE | | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5HOT
 | | Structural Basis for Inhibitor-Induced Aggregation of HIV-1 Integrase | | Descriptor: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, Integrase | | Authors: | Gupta, K, Turkki, V, Sherrill-Mix, S, Hwang, Y, Eilers, G, Taylor, L, McDanal, C, Wang, P, Temelkoff, D, Nolte, R, Velthuisen, E, Jeffrey, J, Van Duyne, G.D, Bushman, F.D. | | Deposit date: | 2016-01-19 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (4.4 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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4N9E
 | | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | | Deposit date: | 2013-10-20 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
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4AUA
 | | Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | | Descriptor: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | | Authors: | Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S. | | Deposit date: | 2012-05-15 | | Release date: | 2013-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
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2PL5
 | | Crystal Structure of Homoserine O-acetyltransferase from Leptospira interrogans | | Descriptor: | GLYCEROL, Homoserine O-acetyltransferase | | Authors: | Liu, L, Wang, M, Wang, Y, Wei, Z, Xu, H, Gong, W. | | Deposit date: | 2007-04-19 | | Release date: | 2007-11-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans
Biochem.Biophys.Res.Commun., 363, 2007
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4N47
 | | Structure of Thermus thermophilus Argonaute bound to guide DNA and 12-mer target DNA | | Descriptor: | 5'-D(*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', Argonaute, ... | | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | | Deposit date: | 2013-10-08 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.823 Å) | | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
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