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1WNO
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BU of 1wno by Molmil
Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
著者Hu, H, Wang, G, Yang, H, Zhou, J, Mo, L, Yang, K, Jin, C, Jin, C, Rao, Z.
登録日2004-08-07
公開日2005-03-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
To be Published
5EU8
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BU of 5eu8 by Molmil
Structure of FIPV main protease in complex with dual inhibitors
分子名称: 1,2-ETHANEDIOL, 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, ZINC ION, ...
著者Wang, F, Chen, C, Liu, X, Yang, K, Xu, X, Yang, H.
登録日2015-11-18
公開日2015-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors
J.Virol., 90, 2015
5GWY
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BU of 5gwy by Molmil
Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design
分子名称: 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, main protease
著者Wang, F, Chen, C, Tan, W, Yang, K, Yang, H.
登録日2016-09-14
公開日2017-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.852 Å)
主引用文献Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design.
Sci Rep, 6, 2016
5GWZ
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BU of 5gwz by Molmil
The structure of Porcine epidemic diarrhea virus main protease in complex with an inhibitor
分子名称: 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, PEDV main protease
著者Wang, F, Chen, C, Yang, K, Liu, X, Liu, H, Xu, Y, Chen, X, Liu, X, Cai, Y, Yang, H.
登録日2016-09-14
公開日2017-03-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Michael Acceptor-Based Peptidomimetic Inhibitor of Main Protease from Porcine Epidemic Diarrhea Virus
J. Med. Chem., 60, 2017
5GXJ
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BU of 5gxj by Molmil
Zika Virus NS2B-NS3 protease
分子名称: FLAVIVIRUS_NS2B,LINKER,Peptidase S7
著者Yang, H, Chen, X, Ji, X, Xiong, Y, Yang, K.
登録日2016-09-18
公開日2017-05-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Viral protease activation mechanism
To Be Published
2P8R
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BU of 2p8r by Molmil
Crystal structure of the C-terminal domain of C. elegans pre-mRNA splicing factor Prp8 carrying R2303K mutant
分子名称: Pre-mRNA-splicing factor Prp8
著者Zhang, L, Shen, J, Guarnieri, M.T, Heroux, A, Yang, K, Zhao, R.
登録日2007-03-22
公開日2007-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the C-terminal domain of splicing factor Prp8 carrying retinitis pigmentosa mutants
Protein Sci., 16, 2007
2P87
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BU of 2p87 by Molmil
Crystal structure of the C-terminal domain of C. elegans pre-mRNA splicing factor Prp8
分子名称: Pre-mRNA-splicing factor Prp8
著者Zhang, L, Shen, J, Guarnieri, M.T, Heroux, A, Yang, K, Zhao, R.
登録日2007-03-21
公開日2007-05-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the C-terminal domain of splicing factor Prp8 carrying retinitis pigmentosa mutants
Protein Sci., 16, 2007
1WOF
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BU of 1wof by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
登録日2004-08-18
公開日2005-08-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
3V3E
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BU of 3v3e by Molmil
Crystal Structure of the Human Nur77 Ligand-binding Domain
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-13
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
3V3Q
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BU of 3v3q by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-14
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
1RKU
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BU of 1rku by Molmil
Crystal Structure of ThrH gene product of Pseudomonas Aeruginosa
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, homoserine kinase
著者Singh, S.K, Yang, K, Subramanian, K, Karthikeyan, S, Huynh, T, Zhang, X, Phillips, M.A, Zhang, H.
登録日2003-11-23
公開日2004-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity.
J.Biol.Chem., 279, 2004
1RKV
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BU of 1rkv by Molmil
Structure of Phosphate complex of ThrH from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Singh, S.K, Yang, K, Subramanian, K, Karthikeyan, S, Huynh, T, Zhang, X, Phillips, M.A, Zhang, H.
登録日2003-11-23
公開日2004-03-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity.
J.Biol.Chem., 279, 2004
1S17
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BU of 1s17 by Molmil
Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors
分子名称: 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE, GLYCEROL, NICKEL (II) ION, ...
著者Molteni, V, He, X, Nabakka, J, Yang, K, Kreusch, A, Gordon, P, Bursulaya, B, Ryder, N.S, Goldberg, R, He, Y.
登録日2004-01-05
公開日2004-03-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of novel potent bicyclic peptide deformylase inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
2AMD
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BU of 2amd by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9
分子名称: 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-09
公開日2005-09-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMQ
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BU of 2amq by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3
分子名称: 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
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-10
公開日2005-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMP
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BU of 2amp by Molmil
Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-10
公開日2005-09-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
5Z0V
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BU of 5z0v by Molmil
Structural insight into the Zika virus capsid encapsulating the viral genome
分子名称: Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H.
登録日2017-12-21
公開日2018-04-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.913 Å)
主引用文献Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
5Z0R
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BU of 5z0r by Molmil
Structural insight into the Zika virus capsid encapsulating the viral genome
分子名称: Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H.
登録日2017-12-20
公開日2018-04-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
2HBX
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BU of 2hbx by Molmil
Crystal Structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase (ACMSD)
分子名称: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION
著者Martynowski, D, Eyobo, Y, Li, T, Yang, K, Liu, A, Zhang, H.
登録日2006-06-14
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of alpha-Amino-beta-carboxymuconate-epsilon-semialdehyde Decarboxylase: Insight into the Active Site and Catalytic Mechanism of a Novel Decarboxylation Reaction.
Biochemistry, 45, 2006
2HBV
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BU of 2hbv by Molmil
Crystal Structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase (ACMSD)
分子名称: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, MAGNESIUM ION, ZINC ION
著者Martynowski, D, Eyobo, Y, Li, T, Yang, K, Liu, A, Zhang, H.
登録日2006-06-14
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of alpha-Amino-beta-carboxymuconate-epsilon-semialdehyde Decarboxylase: Insight into the Active Site and Catalytic Mechanism of a Novel Decarboxylation Reaction.
Biochemistry, 45, 2006
4ICY
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BU of 4icy by Molmil
Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kallio, P, Patrikainen, P, Belogurov, G, Mantsala, P, Yang, K, Niemi, J, Metsa-Ketela, M.
登録日2012-12-11
公開日2013-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE.
Biochemistry, 52, 2013
4KJL
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BU of 4kjl by Molmil
Room Temperature N23PPS148A DHFR
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
登録日2013-05-03
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
4KJJ
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BU of 4kjj by Molmil
Cryogenic WT DHFR
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
登録日2013-05-03
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
4KJK
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BU of 4kjk by Molmil
Room Temperature WT DHFR
分子名称: CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ...
著者van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
登録日2013-05-03
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.351 Å)
主引用文献Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
3AKB
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BU of 3akb by Molmil
Structural basis for prokaryotic calcium-mediated regulation by a Streptomyces coelicolor calcium-binding protein
分子名称: CALCIUM ION, Putative calcium binding protein
著者Zhao, X, Pang, H, Wang, S, Zhou, W, Yang, K, Bartlam, M.
登録日2010-07-09
公開日2011-01-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for prokaryotic calciummediated regulation by a Streptomyces coelicolor calcium binding protein
Protein Cell, 1, 2010

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