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4CCK
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BU of 4cck by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II) and N-oxalylglycine (NOG)
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, MANGANESE (II) ION, ...
著者Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCJ
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BU of 4ccj by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in apo form
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66
著者Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
3C6H
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BU of 3c6h by Molmil
Crystal Structure of the RB49 gp17 nuclease domain
分子名称: MAGNESIUM ION, Terminase large subunit
著者Sun, S, Rossmann, M.G.
登録日2008-02-04
公開日2009-01-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces.
Cell(Cambridge,Mass.), 135, 2008
3P0I
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BU of 3p0i by Molmil
Leishmania major Tyrosyl-tRNA synthetase in complex with tyrosinol, cubic crystal form
分子名称: 4-[(2S)-2-amino-3-hydroxypropyl]phenol, Tyrosyl-tRNA synthetase
著者Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-09-28
公開日2011-03-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer.
J.Mol.Biol., 409, 2011
3CCC
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BU of 3ccc by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile, ...
著者Wallace, M.B, Skene, R.J.
登録日2008-02-25
公開日2008-10-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DPC
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BU of 3dpc by Molmil
Structure of E.coli Alkaline Phosphatase Mutant in Complex with a Phosphorylated Peptide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, PHOSPHATE ION, ...
著者Wang, W.H, Jiang, T.
登録日2008-07-07
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Biosens.Bioelectron., 24, 2009
7E35
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BU of 7e35 by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
分子名称: N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION
著者Liu, J, Wang, Y, Xu, X, Pan, L.
登録日2021-02-08
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
4CCO
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BU of 4cco by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66 S373C) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G214C) peptide fragment (complex-3)
分子名称: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCM
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BU of 4ccm by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-1)
分子名称: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
3T3V
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BU of 3t3v by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87
分子名称: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A.
登録日2011-07-25
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3T3U
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BU of 3t3u by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130
分子名称: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者Larson, E.T, Merritt, E.A.
登録日2011-07-25
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3NEG
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BU of 3neg by Molmil
Pyrabactin-bound PYL1 structure in the open and close forms
分子名称: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1, BROMIDE ION
著者Yan, N.
登録日2010-06-08
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
3C6A
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BU of 3c6a by Molmil
Crystal Structure of the RB49 gp17 nuclease domain
分子名称: MAGNESIUM ION, Terminase large subunit
著者Sun, S, Rossmann, M.G.
登録日2008-02-04
公開日2009-01-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces.
Cell(Cambridge,Mass.), 135, 2008
3NEF
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BU of 3nef by Molmil
High-resolution pyrabactin-bound PYL1 structure
分子名称: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1
著者Yan, N.
登録日2010-06-08
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
3CCB
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BU of 3ccb by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
分子名称: 1-biphenyl-2-ylmethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wallace, M.B, Skene, R.J.
登録日2008-02-25
公開日2008-10-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
6IZQ
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BU of 6izq by Molmil
PRMT4 bound with a bicyclic compound
分子名称: (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1
著者Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K.
登録日2018-12-20
公開日2019-12-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia.
J.Med.Chem., 62, 2019
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-11-18
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UQF
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BU of 3uqf by Molmil
c-SRC kinase domain in complex with BKI RM-1-89
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Merritt, E.A, Larson, E.T.
登録日2011-11-20
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
1Z5M
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BU of 1z5m by Molmil
Crystal Structure Of N1-[3-[[5-bromo-2-[[3-[(1-pyrrolidinylcarbonyl)amino]phenyl]amino]-4-pyrimidinyl]amino]propyl]-2,2-dimethylpropanediamide Complexed with Human PDK1
分子名称: 3-phosphoinositide dependent protein kinase-1, CHLORIDE ION, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2005-03-18
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1.
J.Biol.Chem., 280, 2005
3UQG
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BU of 3uqg by Molmil
c-SRC kinase domain in complex with bumpless BKI analog UW1243
分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Merritt, E.A, Larson, E.T.
登録日2011-11-20
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
分子名称: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3CPE
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BU of 3cpe by Molmil
Crystal Structure of T4 gp17
分子名称: DNA packaging protein Gp17, PHOSPHATE ION, SODIUM ION
著者Sun, S, Rossmann, M.G.
登録日2008-03-31
公開日2009-01-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces
Cell(Cambridge,Mass.), 135, 2008
3V51
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BU of 3v51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
分子名称: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-15
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5P
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BU of 3v5p by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
分子名称: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UPX
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BU of 3upx by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300
分子名称: Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone
著者Merritt, E.A, Larson, E.T.
登録日2011-11-18
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012

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