Author results

2INY
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NANOPOROUS CRYSTALS OF CHICKEN EMBRYO LETHAL ORPHAN (CELO) ADENOVIRUS MAJOR COAT PROTEIN, HEXON
Descriptor:Hexon protein
Authors:Xu, L., Benson, S.D., Burnett, R.M.
Deposit date:2006-10-09
Release date:2007-02-06
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Nanoporous crystals of chicken embryo lethal orphan (CELO) adenovirus major coat protein, hexon.
J.Struct.Biol., 157, 2007
2K7X
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SOLUTION STRUCTURE OF C-TERMINAL DOMAIN OF SARS-COV MAIN PROTEASE
Descriptor:SARS-CoV main protease
Authors:Xia, B., Zhong, N.
Deposit date:2008-08-28
Release date:2009-05-12
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:C-terminal domain of SARS-CoV main protease can form a 3D domain-swapped dimer.
Protein Sci., 18, 2009
2OBE
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CRYSTAL STRUCTURE OF CHIMPANZEE ADENOVIRUS (TYPE 68/SIMIAN 25) MAJOR COAT PROTEIN HEXON
Descriptor:Hexon protein, DIHYDROGENPHOSPHATE ION, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Xue, F., Rux, J.J., Burnett, R.M.
Deposit date:2006-12-18
Release date:2007-07-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based identification of a major neutralizing site in an adenovirus hexon
J.Virol., 81, 2007
2OI4
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CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH FLUORINATED RUTHENIUM PYRIDOCARBAZOLE
Descriptor:Proto-oncogene serine/threonine-protein kinase Pim-1, CHLORIDE ION, FLUORINATED PYRIDOCARBAZOLE CYCLOPENTADIENYL RU(CO) COMPLEX, ...
Authors:Maksimoska, J., Meggers, E.
Deposit date:2007-01-10
Release date:2007-04-10
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand.
Org.Biomol.Chem., 5, 2007
2Q6D
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CRYSTAL STRUCTURE OF INFECTIOUS BRONCHITIS VIRUS (IBV) MAIN PROTEASE
Descriptor:Infectious bronchitis virus (IBV) main protease
Authors:Xue, X.Y., Yang, H.T., Xue, F., Bartlam, M., Rao, Z.H.
Deposit date:2007-06-04
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
2Q6F
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CRYSTAL STRUCTURE OF INFECTIOUS BRONCHITIS VIRUS (IBV) MAIN PROTEASE IN COMPLEX WITH A MICHAEL ACCEPTOR INHIBITOR N3
Descriptor:Infectious bronchitis virus (IBV) main protease, 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
Authors:Xue, X.Y., Yang, H.T., Xue, F., Bartlam, M., Rao, Z.H.
Deposit date:2007-06-05
Release date:2008-02-12
Last modified:2015-12-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
2Q6G
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CRYSTAL STRUCTURE OF SARS-COV MAIN PROTEASE H41A MUTANT IN COMPLEX WITH AN N-TERMINAL SUBSTRATE
Descriptor:severe acute respiratory syndrome coronavirus (SARS-CoV), Polypeptide chain
Authors:Xue, X.Y., Yang, H.T., Xue, F., Bartlam, M., Rao, Z.H.
Deposit date:2007-06-05
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
3D23
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MAIN PROTEASE OF HCOV-HKU1
Descriptor:3C-like proteinase, 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
Authors:Zhao, Q., Chen, C., Li, S., Zou, Y.
Deposit date:2008-05-07
Release date:2008-09-16
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the main protease from a global infectious human coronavirus, HCoV-HKU1.
J.Virol., 82, 2008
3EBN
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A SPECIAL DIMERIZATION OF SARS-COV MAIN PROTEASE C-TERMINAL DOMAIN DUE TO DOMAIN-SWAPPING
Descriptor:Replicase polyprotein 1ab
Authors:Zhong, N., Zhang, S., Xue, F., Kang, X., Lou, Z., Xia, B.
Deposit date:2008-08-28
Release date:2009-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:C-terminal domain of SARS-CoV main protease can form a 3D domain-swapped dimer
PROTEIN SCI., 18, 2009
3IFU
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THE CRYSTAL STRUCTURE OF PORCINE REPRODUCTIVE AND RESPIRATORY SYNDROME VIRUS (PRRSV) LEADER PROTEASE NSP1
Descriptor:Non-structural protein, ZINC ION
Authors:Sun, Y., Xue, F., Guo, Y., Ma, M., Lou, Z., Rao, Z.
Deposit date:2009-07-26
Release date:2009-10-27
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of porcine reproductive and respiratory syndrome virus leader protease Nsp1alpha
J.Virol., 83, 2009
3IWM
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THE OCTAMERIC SARS-COV MAIN PROTEASE
Descriptor:3C-like proteinase, 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
Authors:Zhong, N., Zhang, S., Xue, F., Lou, Z., Rao, Z., Xia, B.
Deposit date:2009-09-02
Release date:2010-07-21
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Three-dimensional domain swapping as a mechanism to lock the active conformation in a super-active octamer of SARS-CoV main protease
Protein Cell, 1, 2010
3JWS
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE R349A MUTANT HEME DOMAIN COMPLEXED WITH N1-[(3' S,4'S)-4'-((6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL)PYRROLIDIN-3'-YL]-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE TETRAHYDROCHLORIDE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JWT
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE R349A MUTANT HEME DOMAIN IN COMPLEX WITH N1-{(3'R,4'R)-4'-[(6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JWU
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE R349A MUTANT HEME DOMAIN IN COMPLEX WITH N1-{(3'R,4'S)-4'-[(6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE TETRAHYDROCHLORIDE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JWV
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE R349A MUTANT HEME DOMAIN IN COMPLEX WITH N1-{(3'S,4'R)-4'-[(6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JWW
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STRUCTURE OF ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1-[(3'S,4'S)-4'-((6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL)PYRROLIDIN-3'-YL]-N2- (3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE TETRAHYDROCHLORIDE
Descriptor:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JWX
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STRUCTURE OF ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1-[(3'R,4'R)-4'-((6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL)PYRROLIDIN-3'-YL]-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE TETRAHYDROCHLORIDE
Descriptor:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JWY
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STRUCTURE OF ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1-{(3'R,4'S)-4'-[(6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE TETRAHYDROCHLORIDE
Descriptor:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JWZ
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STRUCTURE OF ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1-[(3' S,4' R)-4'-((6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL)PYRROLIDIN-3'-YL]-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE TETRAHYDROCHLORIDE
Descriptor:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JX0
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE D597N MUTANT HEME DOMAIN IN COMPLEX WITH N1-{(3'S,4'S)-4'-[(6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JX1
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE D597N MUTANT HEME DOMAIN IN COMPLEX WITH N1-{(3'R,4'R)-4'-[(6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JX2
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE D597N/M336V MUTANT HEME DOMAIN IN COMPLEX WITH N1-{(3'S,4'S)-4'-[(6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JX3
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE D597N/M336V MUTANT HEME DOMAIN IN COMPLEX WITH N1-{(3'R,4'R)-4'-[(6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JX4
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE D597N/M336V MUTANT HEME DOMAIN IN COMPLEX WITH N1-{(3'R,4'S)-4'-[(6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JX5
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE D597N/M336V MUTANT HEME DOMAIN IN COMPLEX WITH N1-{(3'S,4'R)-4'-[(6"-AMINO-4"-METHYLPYRIDIN-2"-YL)METHYL]PYRROLIDIN-3'-YL}-N2-(3'-FLUOROPHENETHYL)ETHANE-1,2-DIAMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Delker, S.L., Li, H., Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010