Author results

4KMW
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STRUCTURE OF THE Y34N MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL
Descriptor:Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, 2,4,6-trichlorophenol, ...
Authors:Wang, C., Lovelace, L., Lebioda, L.
Deposit date:2013-05-08
Release date:2013-09-04
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
4KN3
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STRUCTURE OF THE Y34NS91G DOUBLE MUTANT OF DEHALOPEROXIDASE FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL
Descriptor:Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, 2,4,6-trichlorophenol, ...
Authors:Wang, C., Lovelace, L., Lebioda, L.
Deposit date:2013-05-08
Release date:2013-09-04
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
4N4W
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STRUCTURE OF THE HUMAN SMOOTHENED RECEPTOR IN COMPLEX WITH SANT-1.
Descriptor:Cytochrome b(562),Smoothened homolog, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Wang, C., Wu, H., Han, G.W., Cherezov, V., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2013-10-08
Release date:2014-01-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4QIM
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STRUCTURE OF THE HUMAN SMOOTHENED RECEPTOR IN COMPLEX WITH ANTA XV
Descriptor:Smoothened homolog/Soluble cytochrome b562 chimeric protein, 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol, ZINC ION
Authors:Wang, C., Wu, H., Evron, T., Vardy, E., Han, G.W., Huang, X.-P., Hufeisen, S.J., Mangano, T.J., Urban, D.J., Katritch, V., Cherezov, V., Caron, M.G., Roth, B.L., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4QIN
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STRUCTURE OF THE HUMAN SMOOTHENED RECEPTOR IN COMPLEX WITH SAG1.5
Descriptor:Smoothened homolog/Soluble cytochrome b562 chimeric protein, 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide
Authors:Wang, C., Wu, H., Evron, T., Vardy, E., Han, G.W., Huang, X.-P., Hufeisen, S.J., Mangano, T.J., Urban, D.J., Katritch, V., Cherezov, V., Caron, M.G., Roth, B.L., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4Y33
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CRYSTAL OF NO66 IN COMPLEX WITH NI(II)AND N-OXALYLGLYCINE (NOG)
Descriptor:Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, NICKEL (II) ION, N-OXALYLGLYCINE
Authors:Wang, C., Zhang, Q., Zang, J.
Deposit date:2015-02-10
Release date:2015-10-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
4Y3O
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CRYSTAL STRUCTURE OF RIBOSOMAL OXYGENASE NO66 IN COMPLEX WITH SUBSTRATE RPL8 PEPTIDE AND NI(II) AND COFACTOR N-OXALYGLYCINE
Descriptor:Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, Rpl8 peptide, NICKEL (II) ION, ...
Authors:Wang, C., Zhang, Q., Zang, J.
Deposit date:2015-02-10
Release date:2015-10-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
4Y4R
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CRYSTAL STRUCTURE OF RIBOSOMAL OXYGENASE NO66 DIMER MUTANT
Descriptor:Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, NICKEL (II) ION, ACETATE ION
Authors:Wang, C., Hang, T., Zang, J.
Deposit date:2015-02-11
Release date:2015-10-07
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
5TF7
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH ATP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TF8
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH DTTP
Descriptor:Cystic fibrosis transmembrane conductance regulator, THYMIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFA
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH DUTP
Descriptor:Cystic fibrosis transmembrane conductance regulator, DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFB
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH 7-METHYL-GTP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFC
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH GTP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, GUANOSINE-5'-TRIPHOSPHATE
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFD
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH CTP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, CYTIDINE-5'-TRIPHOSPHATE
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFF
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH UTP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFG
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH 5-METHYL-UTP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, 5-Methyluridine triphosphate
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFI
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH DGTP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFJ
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH DCTP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TGK
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NUCLEOTIDE-BINDING DOMAIN 1 OF THE HUMAN CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) WITH DATP
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE
Authors:Wang, C., Aleksandrov, A.A., Yang, Z., Forouhar, F., Proctor, E., Kota, P., An, J., Kaplan, A., Khazanov, N., Boel, G., Stockwell, B.R., Senderowitz, H., Dokholyan, N.V., Riordan, J.R., Brouillette, C.G., Hunt, J.F.
Deposit date:2016-09-28
Release date:2018-05-09
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator.
J. Biol. Chem., 2018
5UYT
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CRYSTAL STRUCTURE OF ICE BINDING PROTEIN FROM AN ANTARCTIC BACTERIUM FLAVOBACTERIACEAE
Descriptor:Ice-binding protein, NITRATE ION
Authors:Wang, C., Pakhomova, S., Newcomer, M.E., Christner, B.C., Luo, B.-H.
Deposit date:2017-02-24
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of antifreeze activity of a bacterial multi-domain antifreeze protein.
PLoS ONE, 12, 2017
5Y5W
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CRYSTAL STRUCTURE OF HUMAN SPINDLIN1 IN COMPLEX WITH A HISTONE H4K20(ME3) PEPTIDE
Descriptor:Spindlin-1, Histone peptide H4K20(me3)
Authors:Wang, C., Zang, J.
Deposit date:2017-08-10
Release date:2017-10-11
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Spindlin-1 recognizes methylations of K20 and R23 of histone H4 tail
FEBS Lett., 592, 2018
5JM5
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CRYSTAL STRUCTURE OF AKR1C3 COMPLEXED WITH A PRO-DRUG
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (1R)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate, ...
Authors:Wang, C., Wang, C., Li, Q., Wang, Z., Xie, W.
Deposit date:2016-04-28
Release date:2017-05-03
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:An AKR1C3 based Pro-drug TH3424 has potent anti-tumor activity against liver cancer
To Be Published
4O9R
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HUMAN SMOOTHENED RECEPTOR STRUCTURE IN COMPLEX WITH CYCLOPAMINE
Descriptor:Smoothened homolog/Soluble cytochrome b562 chimeric protein, Cyclopamine
Authors:Wang, C., Weierstall, U., James, D., White, T.A., Wang, D., Liu, W., Spence, J.C.H., Doak, R.B., Nelson, G., Fromme, P., Fromme, R., Grotjohann, I., Kupitz, C., Zatsepin, N.A., Liu, H., Basu, S., Wacker, D., Han, G.W., Katritch, V., Boutet, S., Messerschmidt, M., Willams, G.J., Koglin, J.E., Seibert, M.M., Klinker, M., Gati, C., Shoeman, R.L., Barty, A., Chapman, H.N., Kirian, R.A., Beyerlein, K.R., Stevens, R.C., Li, D., Shah, S.T.A., Howe, N., Caffrey, M., Cherezov, V., GPCR Network (GPCR)
Deposit date:2014-01-02
Release date:2014-03-05
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (3.204 Å)
Cite:Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.
Nat Commun, 5, 2014
5XE0
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CRYSTAL STRUCTURE OF EV-D68-3DPOL IN COMPLEX WITH GTP
Descriptor:Genome polyprotein, GUANOSINE-5'-TRIPHOSPHATE
Authors:Xie, W., Wang, C., Wang, Z., Li, Q., Wang, C.
Deposit date:2017-03-30
Release date:2017-06-28
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure and Thermostability Characterization of Enterovirus D68 3Dpol
J. Virol., 91, 2017
3UEM
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CRYSTAL STRUCTURE OF HUMAN PDI BB'A' DOMAINS
Descriptor:Protein disulfide-isomerase, (4S,5S)-1,2-DITHIANE-4,5-DIOL
Authors:Yu, J., Wang, C., Huo, L., Feng, W., Wang, C.-C.
Deposit date:2011-10-30
Release date:2011-11-23
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Human protein-disulfide isomerase is a redox-regulated chaperone activated by oxidation of domain a'
J.Biol.Chem., 287, 2012