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2KKS
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BU of 2kks by Molmil
Solution Structure Of Protein DSY2949 From Desulfitobacterium hafniense. Northeast Structural Genomics Consortium Target DhR27
Descriptor: Uncharacterized protein
Authors:Wu, Y, Mills, J.L, Wang, H, Ciccosanti, C, Jiang, M, Sukumaran, D, Zhang, Q, Nair, R, Rost, B, Acton, T, Xiao, R, Swapna, G.V.T, Everett, J, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-29
Release date:2009-08-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure Of Protein DSY2949 From Desulfitobacterium hafniense. Northeast Structural Genomics Consortium Target DhR27
To be Published
2KCQ
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BU of 2kcq by Molmil
Solution structure of protein SRU_2040 from Salinibacter ruber (strain DSM 13855) . Northeast Structural Genomics Consortium target SrR106
Descriptor: Mov34/MPN/PAD-1 family
Authors:Wu, Y, Eletsky, A, Zhao, L, Hua, J, Sukumaran, D, Jiang, M, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-28
Release date:2009-02-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of protein SRU_2040 from Salinibacter ruber (strain DSM 13855). Northeast Structural Genomics Consortium target SrR106
To be Published
2KAT
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BU of 2kat by Molmil
Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206
Descriptor: uncharacterized protein
Authors:Wu, Y, Mills, J.L, Wang, D, Jiang, M, Foote, E.L, Xiao, R, Sathyamoorthy, B, Sukumaran, D, Nair, R, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-11-14
Release date:2008-12-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206
To be Published
2KJQ
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BU of 2kjq by Molmil
Solution Structure Of Protein NMB1076 From Neisseria meningitidis. Northeast Structural Genomics Consortium Target MR101B.
Descriptor: DnaA-related protein
Authors:Wu, Y, Maglaqui, M, Eletsky, A, Ciccosanti, C, Sathyamoorthy, B, Jiang, M, Garcia, E, Nair, R, Rost, B, Swapna, G, Acton, T, Xiao, R, Everett, J, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-08
Release date:2010-04-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure Of Protein NMB1076 From Neisseria meningitidis. Northeast Structural Genomics Consortium Target MR101B.
To be Published
2LFD
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BU of 2lfd by Molmil
Solution NMR structure of Diiron protein in presence of 2 eq Zn2+, Northeast Structural Genomics Consortium Target OR21
Descriptor: Diiron protein, ZINC ION
Authors:Wu, Y, Pires, M, Mills, J.L, Reig, A, Szyperski, T, Degrado, W, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-06-29
Release date:2011-08-24
Last modified:2012-03-07
Method:SOLUTION NMR
Cite:Solution NMR structure of Diiron protein in presence of 2 eq Zn2+
To be Published
5D82
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BU of 5d82 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y16(Cl-Y)
Descriptor: Delta(5)-3-ketosteroid isomerase
Authors:Wu, Y, Fried, S.D, Boxer, S.G.
Deposit date:2015-08-15
Release date:2015-12-02
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5D81
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BU of 5d81 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y57(Cl-Y)
Descriptor: Delta(5)-3-ketosteroid isomerase, SULFATE ION
Authors:Wu, Y, Fried, S.D, Boxer, S.G.
Deposit date:2015-08-15
Release date:2015-12-02
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5D83
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BU of 5d83 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y32(Cl-Y)
Descriptor: Delta(5)-3-ketosteroid isomerase
Authors:Wu, Y, Fried, S.D, Boxer, S.G.
Deposit date:2015-08-15
Release date:2015-12-02
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
2MUV
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BU of 2muv by Molmil
NOE-based model of the influenza A virus M2 (19-49) bound to drug 11
Descriptor: (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2
Authors:Wu, Y, Wang, J, DeGrado, W.
Deposit date:2014-09-18
Release date:2014-12-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.
J.Am.Chem.Soc., 136, 2014
2MUW
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BU of 2muw by Molmil
NOE-based model of the influenza A virus N31S mutant (19-49) bound to drug 11
Descriptor: (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2
Authors:Wu, Y, Wang, J, DeGrado, W.
Deposit date:2014-09-18
Release date:2014-12-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.
J.Am.Chem.Soc., 136, 2014
2NPW
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BU of 2npw by Molmil
Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link
Descriptor: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin
Authors:Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S.
Deposit date:2006-10-30
Release date:2007-06-12
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
2NQ0
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BU of 2nq0 by Molmil
Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link
Descriptor: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin
Authors:Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S.
Deposit date:2006-10-30
Release date:2007-06-12
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
7F0I
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BU of 7f0i by Molmil
phosphodiesterase-9A in complex with inhibitor 4b
Descriptor: 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Wu, Y, Huang, Y.Y, Luo, H.B.
Deposit date:2021-06-04
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.70000887 Å)
Cite:Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis
J.Med.Chem., 64, 2021
3RWH
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BU of 3rwh by Molmil
Rhesus macaque MHC class I molecule Mamu-B*17-MF8
Descriptor: Beta-2-microglobulin, Major histocompatibility complex class I, Pol MF8 peptide from Pol protein
Authors:Wu, Y, Gao, F, Liu, J, Qi, J.X, Price, D.A, Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWG
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BU of 3rwg by Molmil
Rhesus macaque MHC class I molecule Mamu-B*17-MW9
Descriptor: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Wu, Y, Gao, F, Liu, J, Qi, J.X, Price, D.A, Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWI
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BU of 3rwi by Molmil
Rhesus macaque MHC class I molecule Mamu-B*17-GW10
Descriptor: Beta-2-microglobulin, Major histocompatibility complex class I, Vif GW10 peptide from Virion infectivity factor
Authors:Wu, Y, Gao, F, Liu, J, Qi, J.X, Price, D.A, Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWC
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BU of 3rwc by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*17-IW9
Descriptor: Beta-2-microglobulin, Major histocompatibility complex class I, Nef IW9 peptide from Protein Nef
Authors:Wu, Y, Gao, F, Liu, J, Qi, J.X, Price, D.A, Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWJ
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BU of 3rwj by Molmil
Rhesus macaque MHC class I molecule Mamu-B*17-HW8
Descriptor: Beta-2-microglobulin, Major histocompatibility complex class I, Vif HW8 peptide from Virion infectivity factor
Authors:Wu, Y, Gao, F, Liu, J, Qi, J.X, Price, D.A, Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWE
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BU of 3rwe by Molmil
rhesus macaque MHC class I molecule Mamu-B*17-FW9
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, Major histocompatibility complex class I, ...
Authors:Wu, Y, Gao, F, Liu, J, Qi, J.X, Price, D.A, Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWD
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BU of 3rwd by Molmil
rhesus macaque MHC class I molecule Mamu-B*17-IW11
Descriptor: Beta-2-microglobulin, Major histocompatibility complex class I, Nef IW11 peptide from Protein Nef
Authors:Wu, Y, Gao, F, Liu, J, Qi, J.X, Price, D.A, Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
3RWF
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BU of 3rwf by Molmil
Rhesus macaque MHC class I molecule Mamu-B*17-QW9
Descriptor: Beta-2-microglobulin, Major histocompatibility complex class I, Nef QW9 peptide from Protein Nef
Authors:Wu, Y, Gao, F, Liu, J, Qi, J.X, Price, D.A, Gao, G.F.
Deposit date:2011-05-09
Release date:2012-03-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus
J.Immunol., 187, 2011
4MWR
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BU of 4mwr by Molmil
Anhui N9-zanamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MWX
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BU of 4mwx by Molmil
Shanghai N9-zanamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MWJ
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BU of 4mwj by Molmil
Anhui N9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MWW
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Shanghai N9-oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013

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