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4WIE
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BU of 4wie by Molmil
Crystal structure of apo-PEPCK from Mycobacterium tuberculosis with glycerol
分子名称: GLYCEROL, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase [GTP]
著者Kim, H.L, Sacchettini, J.C.
登録日2014-09-25
公開日2014-10-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal structure of apo-PEPCK from Mycobacterium tuberculosis with glycerol
To Be Published
4WIU
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BU of 4wiu by Molmil
Crystal Structure of PEPCK (Rv0211) from Mycobacterium tuberculosis in complex with oxalate and Mn2+
分子名称: GLYCEROL, MANGANESE (II) ION, OXALATE ION, ...
著者Kim, H.L, Sacchettini, J.C.
登録日2014-09-26
公開日2014-10-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal Structure of PEPCK (Rv0211) from Mycobacterium tuberculosis in complex with oxalate and Mn2+
to be published
4WPV
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BU of 4wpv by Molmil
Crystal Structure of E83A mutant of Mtb PEPCK in complex with Zn2+ and phosphate ion
分子名称: GLYCEROL, PHOSPHATE ION, Phosphoenolpyruvate carboxykinase [GTP], ...
著者Kim, H.L, Sacchettini, J.C.
登録日2014-10-21
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.672 Å)
主引用文献Crystal Structure of E83A from Mtb PEPCK in complex with Zn2+ and phosphate ion
To Be Published
4WPT
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BU of 4wpt by Molmil
Crystal Structure of Mtb PEPCK in complex with PEP
分子名称: GLYCEROL, PHOSPHATE ION, PHOSPHOENOLPYRUVATE, ...
著者Kim, H.L, Krieger, I.V, Sacchettini, J.C.
登録日2014-10-21
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Mtb PEPCK in complex with PEP
To Be Published
4WPU
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BU of 4wpu by Molmil
Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, PHOSPHOENOLPYRUVATE, ...
著者Kim, H.L, Sacchettini, J.C.
登録日2014-10-21
公開日2015-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP
To Be Published
4WL8
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BU of 4wl8 by Molmil
Crystal Structure of Mtb PEPCK in complex with non-hydrolyzable analog of GTP
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Kim, H.L, Sacchettini, J.C.
登録日2014-10-06
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal Structure of Mtb PEPCK in complex with non-hydrolyzable analog of GTP
to be published
4WOU
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BU of 4wou by Molmil
Crystal Structure of Mtb PEPCK in complex with GDP and metals
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
著者Kim, H.L, Sacchettini, J.C.
登録日2014-10-16
公開日2015-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.122 Å)
主引用文献Crystal Structure of Mtb PEPCK in complex with GDP and metals
To Be Published
3KT1
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BU of 3kt1 by Molmil
Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex
分子名称: FE (III) ION, GLYCEROL, PKHD-type hydroxylase TPA1, ...
著者Kim, H.S, Kim, H.L, Kim, K.H, Kim, D.J, Lee, S.J, Yoon, J.Y, Yoon, H.J, Lee, H.Y, Park, S.B, Kim, S.-J, Lee, J.Y, Suh, S.W.
登録日2009-11-24
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex
Nucleic Acids Res., 38, 2010
3KT4
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BU of 3kt4 by Molmil
Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex
分子名称: FE (III) ION, PKHD-type hydroxylase TPA1
著者Kim, H.S, Kim, H.L, Kim, K.H, Kim, D.J, Lee, S.J, Yoon, J.Y, Yoon, H.J, Lee, H.Y, Park, S.B, Kim, S.-J, Lee, J.Y, Suh, S.W.
登録日2009-11-24
公開日2010-01-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex
Nucleic Acids Res., 38, 2010
3KT7
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BU of 3kt7 by Molmil
Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, GLYCEROL, ...
著者Kim, H.S, Kim, H.L, Kim, K.H, Kim, D.J, Lee, S.J, Yoon, J.Y, Yoon, H.J, Lee, H.Y, Park, S.B, Kim, S.-J, Lee, J.Y, Suh, S.W.
登録日2009-11-24
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex
Nucleic Acids Res., 38, 2010
1Q1Y
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BU of 1q1y by Molmil
Crystal Structures of Peptide Deformylase from Staphylococcus aureus Complexed with Actinonin
分子名称: ACTINONIN, Peptide deformylase, ZINC ION
著者Yoon, H.J, Lee, S.K, Kim, H.L, Kim, H.W, Kim, H.W, Lee, J.Y, Mikami, B, Suh, S.W.
登録日2003-07-23
公開日2004-07-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of peptide deformylase from Staphylococcus aureus in complex with actinonin, a naturally occurring antibacterial agent
Proteins, 57, 2004
1YUN
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BU of 1yun by Molmil
Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Pseudomonas aeruginosa
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable nicotinate-nucleotide adenylyltransferase
著者Yoon, H.J, Kim, H.L, Mikami, B, Suh, S.W.
登録日2005-02-14
公開日2005-11-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of nicotinic acid mononucleotide adenylyltransferase from Pseudomonas aeruginosa in its Apo and substrate-complexed forms reveals a fully open conformation
J.Mol.Biol., 351, 2005
1YUM
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BU of 1yum by Molmil
Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Pseudomonas aeruginosa
分子名称: 'Probable nicotinate-nucleotide adenylyltransferase, CITRIC ACID, NICOTINATE MONONUCLEOTIDE
著者Yoon, H.J, Kim, H.L, Mikami, B, Suh, S.W.
登録日2005-02-14
公開日2005-11-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of nicotinic acid mononucleotide adenylyltransferase from Pseudomonas aeruginosa in its Apo and substrate-complexed forms reveals a fully open conformation
J.Mol.Biol., 351, 2005
1YUL
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BU of 1yul by Molmil
Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Pseudomonas aeruginosa
分子名称: CITRIC ACID, Probable nicotinate-nucleotide adenylyltransferase
著者Yoon, H.J, Kim, H.L, Mikami, B, Suh, S.W.
登録日2005-02-14
公開日2005-11-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of nicotinic acid mononucleotide adenylyltransferase from Pseudomonas aeruginosa in its Apo and substrate-complexed forms reveals a fully open conformation
J.Mol.Biol., 351, 2005
7CHT
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BU of 7cht by Molmil
Crystal structure of TTK kinase domain in complex with compound 30
分子名称: 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D.
登録日2020-07-06
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CHM
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BU of 7chm by Molmil
Crystal structure of TTK kinase domain in complex with compound 8
分子名称: 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-06
公開日2021-05-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CHN
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BU of 7chn by Molmil
Crystal structure of TTK kinase domain in complex with compound 9
分子名称: 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-06
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CLH
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BU of 7clh by Molmil
Crystal structure of TTK kinase domain in complex with compound 19
分子名称: 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-21
公開日2021-05-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CJA
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BU of 7cja by Molmil
Crystal structure of TTK kinase domain in complex with compound 28
分子名称: 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-09
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CIL
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BU of 7cil by Molmil
Crystal structure of TTK kinase domain in complex with compound 7
分子名称: 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-07
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
5Y7X
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BU of 5y7x by Molmil
Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist
分子名称: 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid, CHLORIDE ION, POTASSIUM ION, ...
著者Kim, H.L, Chin, J.W, Cho, S.J, Song, J.Y, Yoon, H.S, Bae, J.H.
登録日2017-08-18
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Design, synthesis, and the X-ray co-crystal structure of Highly Potent, Selective, and Orally Bioavailable, Novel Peroxisome Proliferator-Activated Receptor delta Agonists
To Be Published
1IX1
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BU of 1ix1 by Molmil
Crystal Structure of P.aeruginosa Peptide deformylase Complexed with Antibiotic Actinonin
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, ACTINONIN, ZINC ION, ...
著者Kim, H.-W, Yoon, H.-J, Lee, J.Y, Han, B.W, Yang, J.K, Lee, B.I, Ahn, H.J, Lee, H.H, Suh, S.W.
登録日2002-06-07
公開日2003-09-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of peptide deformylase from Staphylococcus aureus in complex with actinonin, a naturally occurring antibacterial agent
Proteins, 57, 2004
3ORF
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BU of 3orf by Molmil
Crystal Structure of Dihydropteridine Reductase from Dictyostelium discoideum
分子名称: Dihydropteridine reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Chen, C, Zhuang, N.N, Seo, K.H, Park, Y.S, Lee, K.H.
登録日2010-09-07
公開日2011-07-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural insights into the dual substrate specificities of mammalian and Dictyostelium dihydropteridine reductases toward two stereoisomers of quinonoid dihydrobiopterin
Febs Lett., 585, 2011
5ZXB
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BU of 5zxb by Molmil
Crystal structure of ACK1 with compound 10d
分子名称: Activated CDC42 kinase 1, N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
著者Hong, E.M, Kim, H.L, Sim, T.B.
登録日2018-05-18
公開日2018-09-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia.
J. Med. Chem., 61, 2018

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