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3WL7
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BU of 3wl7 by Molmil
The complex structure of pOPH S172C with ligand, ACA
Descriptor: CITRIC ACID, Oxidized polyvinyl alcohol hydrolase, pentane-2,4-dione
Authors:Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C.
Deposit date:2013-11-08
Release date:2014-09-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural insights into enzymatic degradation of oxidized polyvinyl alcohol
Chembiochem, 15, 2014
3WEF
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BU of 3wef by Molmil
Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate
Descriptor: S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase
Authors:Liu, C.I, Jeng, W.Y, Wang, A.H.J.
Deposit date:2013-07-07
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into the catalytic mechanism of human squalene synthase.
Acta Crystallogr.,Sect.D, 70, 2014
3WL6
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BU of 3wl6 by Molmil
Crystal Structure of pOPH Native
Descriptor: CITRIC ACID, Oxidized polyvinyl alcohol hydrolase
Authors:Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C.
Deposit date:2013-11-08
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into enzymatic degradation of oxidized polyvinyl alcohol
Chembiochem, 15, 2014
3WEJ
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BU of 3wej by Molmil
Crystal structure of the human squalene synthase F288A mutant in complex with presqualene pyrophosphate
Descriptor: MAGNESIUM ION, Squalene synthase, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
Authors:Liu, C.I, Jeng, W.Y, Wang, A.H.J.
Deposit date:2013-07-07
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the catalytic mechanism of human squalene synthase.
Acta Crystallogr.,Sect.D, 70, 2014
3WEG
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BU of 3weg by Molmil
Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate and magnesium ion
Descriptor: MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase
Authors:Liu, C.I, Jeng, W.Y, Wang, A.H.J.
Deposit date:2013-07-07
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the catalytic mechanism of human squalene synthase.
Acta Crystallogr.,Sect.D, 70, 2014
2L66
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BU of 2l66 by Molmil
The DNA-recognition fold of Sso7c4 suggests a new member of SpoVT-AbrB superfamily from archaea.
Descriptor: Transcriptional regulator, AbrB family
Authors:Hsu, C.-H, Wang, A.H.-J.
Deposit date:2010-11-17
Release date:2011-09-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The DNA-recognition fold of Sso7c4 suggests a new member of SpoVT-AbrB superfamily from archaea.
Nucleic Acids Res., 39, 2011
2ZCM
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BU of 2zcm by Molmil
Crystal structure of IcaR, a repressor of the TetR family
Descriptor: Biofilm operon icaABCD HTH-type negative transcriptional regulator icaR
Authors:Jeng, W.Y, Ko, T.P, Liu, C.I, Guo, R.T, Shr, H.L, Wang, A.H.J.
Deposit date:2007-11-10
Release date:2008-02-05
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal structure of IcaR, a repressor of the TetR family implicated in biofilm formation in Staphylococcus epidermidis
Nucleic Acids Res., 36, 2008
2Z4X
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BU of 2z4x by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21)
Descriptor: (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-06-26
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
2Z7I
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BU of 2z7i by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742
Descriptor: (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Chen, C.K.-M, Ko, T.-P, Cao, R, Hudock, M, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-08-23
Release date:2008-07-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
2Z4W
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BU of 2z4w by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749
Descriptor: Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, [(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)
Authors:Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-06-26
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
2ZB3
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BU of 2zb3 by Molmil
Crystal structure of mouse 15-ketoprostaglandin delta-13-reductase in complex with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 2
Authors:Wu, Y.H, Wang, A.H.J, Ko, T.P, Guo, R.T, Hu, S.M, Chuang, L.M.
Deposit date:2007-10-16
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2.
Structure, 16, 2008
2ZCN
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BU of 2zcn by Molmil
Crystal structure of IcaR, a repressor of the TetR family
Descriptor: Biofilm operon icaABCD HTH-type negative transcriptional regulator icaR
Authors:Jeng, W.Y, Ko, T.P, Liu, C.I, Guo, R.T, Liu, C.L, Wang, A.H.J.
Deposit date:2007-11-10
Release date:2008-02-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of IcaR, a repressor of the TetR family implicated in biofilm formation in Staphylococcus epidermidis
Nucleic Acids Res., 36, 2008
2ZB8
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BU of 2zb8 by Molmil
Crystal structure of human 15-ketoprostaglandin delta-13-reductase in complex with NADP and indomethacin
Descriptor: INDOMETHACIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 2, ...
Authors:Wu, Y.H, Wang, A.H.J, Ko, T.P, Guo, R.T, Hu, S.M, Chuang, L.M.
Deposit date:2007-10-16
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2.
Structure, 16, 2008
7C8T
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BU of 7c8t by Molmil
Complex Structure of SARS-CoV-2 3CL Protease with TG-0205221
Descriptor: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
Authors:Lee, C.C, Wang, A.H.J, Kuo, C.J, Liang, P.H.
Deposit date:2020-06-03
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Complex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
To Be Published
7C8R
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BU of 7c8r by Molmil
Complex Structure of SARS-CoV-2 3CL Protease with TG-0203770
Descriptor: 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Authors:Lee, C.C, Wang, A.H.J, Kuo, C.J, Liang, P.H.
Deposit date:2020-06-03
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
To Be Published
7CGA
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BU of 7cga by Molmil
Crystal structure of human unphosphorylated p38gamma
Descriptor: Mitogen-activated protein kinase 12
Authors:Lee, C.C, Hsu, S.F, Chen, K.E, Wang, A.H.J, Meng, T.C.
Deposit date:2020-06-30
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis for allosteric regulation of protein tyrosine phosphatase PTPN3 by unphosphorylated MAP kinase p38g
To be published
3A2Z
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BU of 3a2z by Molmil
E. coli Gsp amidase Cys59 sulfenic acid
Descriptor: Bifunctional glutathionylspermidine synthetase/amidase
Authors:Pai, C.-H, Ko, T.-P, Chiang, B.-Y, Lin, C.-H, Wang, A.H.-J.
Deposit date:2009-06-05
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein S-thiolation by Glutathionylspermidine (Gsp): the role of Escherichia coli Gsp synthetASE/amidase in redox regulation
J.Biol.Chem., 285, 2010
3A2Y
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BU of 3a2y by Molmil
E. coli Gsp amidase C59A complexed with Gsp
Descriptor: Bifunctional glutathionylspermidine synthetase/amidase, GLUTATHIONYLSPERMIDINE
Authors:Pai, C.-H, Ko, T.-P, Chiang, B.-Y, Lin, C.-H, Wang, A.H.-J.
Deposit date:2009-06-04
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and mechanism of Escherichia coli glutathionylspermidine amidase belonging to the family of cysteine; histidine-dependent amidohydrolases/peptidases
Protein Sci., 20, 2011
2ZWY
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BU of 2zwy by Molmil
alpha-L-fucosidase
Descriptor: Alpha-L-fucosidase, putative
Authors:Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J.
Deposit date:2008-12-18
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis of alpha-Fucosidase Inhibition by Iminocyclitols with Ki Ranging from Micro- to Picomolar
To be Published
2ZYA
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BU of 2zya by Molmil
Dimeric 6-phosphogluconate dehydrogenase complexed with 6-phosphogluconate
Descriptor: 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
Authors:Chen, Y.-Y, Ko, T.-P, Lo, L.-P, Lin, C.-H, Wang, A.H.-J.
Deposit date:2009-01-19
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational changes associated with cofactor/substrate binding of 6-phosphogluconate dehydrogenase from Escherichia coli and Klebsiella pneumoniae: Implications for enzyme mechanism
J.Struct.Biol., 169, 2010
2ZZC
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BU of 2zzc by Molmil
Crystal structure of NADP(H):human thioredoxin reductase I
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1, ...
Authors:Lo, Y.C, Ko, T.P, Wang, A.H.J.
Deposit date:2009-02-09
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Terpyridine-platinum(II) complexes are effective inhibitors of mammalian topoisomerases and human thioredoxin reductase 1.
J.Inorg.Biochem., 103, 2009
3A7I
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BU of 3a7i by Molmil
Human MST3 kinase in complex with adenine
Descriptor: ADENINE, Serine/threonine kinase 24 (STE20 homolog, yeast)
Authors:Ko, T.P, Jeng, W.Y, Liu, C.I, Lai, M.D, Wang, A.H.J.
Deposit date:2009-09-26
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structures of human MST3 kinase in complex with adenine, ADP and Mn2+.
Acta Crystallogr.,Sect.D, 66, 2010
3A7J
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BU of 3a7j by Molmil
Human MST3 kinase in complex with MnADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Serine/threonine kinase 24 (STE20 homolog, ...
Authors:Ko, T.P, Jeng, W.Y, Liu, C.I, Lai, M.D, Wang, A.H.J.
Deposit date:2009-09-27
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of human MST3 kinase in complex with adenine, ADP and Mn2+.
Acta Crystallogr.,Sect.D, 66, 2010
3A30
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BU of 3a30 by Molmil
E. coli Gsp amidase C59 acetate modification
Descriptor: ACETATE ION, Bifunctional glutathionylspermidine synthetase/amidase
Authors:Pai, C.-H, Ko, T.-P, Chiang, B.-Y, Lin, C.-H, Wang, A.H.-J.
Deposit date:2009-06-05
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein S-thiolation by Glutathionylspermidine (Gsp): the role of Escherichia coli Gsp synthetASE/amidase in redox regulation
J.Biol.Chem., 285, 2010
3A7H
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BU of 3a7h by Molmil
Human MST3 kinase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Serine/threonine kinase 24 (STE20 homolog, yeast)
Authors:Ko, T.P, Jeng, W.Y, Liu, C.I, Lai, M.D, Wang, A.H.J.
Deposit date:2009-09-26
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of human MST3 kinase in complex with adenine, ADP and Mn2+.
Acta Crystallogr.,Sect.D, 66, 2010

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