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4KO6
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BU of 4ko6 by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/V95K/Y108F)
分子名称: Azurin, COPPER (II) ION
著者Inampudi, K.K, Meng, W, Tobin, P.H, Wilson, C.J.
登録日2013-05-11
公開日2014-05-14
実験手法X-RAY DIFFRACTION (1.738 Å)
主引用文献Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/V95K/Y108F)
To be Published
4KOC
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BU of 4koc by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/V95I/Y108F)
分子名称: Azurin, COPPER (II) ION
著者Inampudi, K.K, Tobin, P.H, Wilson, C.J.
登録日2013-05-11
公開日2014-05-14
実験手法X-RAY DIFFRACTION (1.459 Å)
主引用文献Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/V95I/Y108F)
To be Published
4KO9
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BU of 4ko9 by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V95I/Y108F)
分子名称: Azurin, COPPER (II) ION
著者Inampudi, K.K, Tobin, P.H, Wilson, C.J.
登録日2013-05-11
公開日2014-05-14
実験手法X-RAY DIFFRACTION (2.054 Å)
主引用文献Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V95I/Y108F)
To be Published
4KO7
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BU of 4ko7 by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48F/V95I)
分子名称: Azurin, COPPER (II) ION
著者Inampudi, K.K, Meng, W, Tobin, P.H, Wilson, C.J.
登録日2013-05-11
公開日2014-05-14
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48F/V95I)
To be Published
4KO5
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BU of 4ko5 by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48L/V95I/Y108F)
分子名称: Azurin, COPPER (II) ION
著者Inampudi, K.K, Wang, Y, Meng, W, Tobin, P.H, Wilson, C.J.
登録日2013-05-11
公開日2014-05-14
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48L/V95I/Y108F)
To be Published
4KOB
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BU of 4kob by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/V95I)
分子名称: Azurin, COPPER (II) ION
著者Inampudi, K.K, Meng, W, Tobin, P.H, Wilson, C.J.
登録日2013-05-11
公開日2014-05-14
実験手法X-RAY DIFFRACTION (1.867 Å)
主引用文献Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/V95I)
To be Published
7WT6
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BU of 7wt6 by Molmil
Crystal structure of full-length peptidyl-tRNA hydrolase from Mycobacterium tuberculosis
分子名称: Peptidyl-tRNA hydrolase
著者Kulandaisamy, R, Das, U, Inampudi, K.K.
登録日2022-02-04
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of full-length peptidyl-tRNA hydrolase from Mycobacterium tuberculosis
To Be Published
4ZER
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BU of 4zer by Molmil
Crystal structure of the Onc112 antimicrobial peptide bound to the Thermus thermophilus 70S ribosome
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 16s ribosomal RNA, 23s ribosomal RNA, ...
著者Seefeldt, A.C, Nguyen, F, Antunes, S, Perebaskine, N, Graf, M, Arenz, S, Inampudi, K.K, Douat, C, Guichard, G, Wilson, D.N, Innis, C.A.
登録日2015-04-20
公開日2015-05-20
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The proline-rich antimicrobial peptide Onc112 inhibits translation by blocking and destabilizing the initiation complex.
Nat.Struct.Mol.Biol., 22, 2015
4TZR
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BU of 4tzr by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
分子名称: 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-07-10
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
分子名称: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
3I7B
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BU of 3i7b by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1
分子名称: 1,2-ETHANEDIOL, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3I7C
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BU of 3i7c by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NA-PP2
分子名称: 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2010-02-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3I79
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BU of 3i79 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)
分子名称: 1,2-ETHANEDIOL, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2009-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
分子名称: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2015-03-03
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
著者Merritt, E.A.
登録日2015-03-17
公開日2016-04-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
7EZJ
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BU of 7ezj by Molmil
Crystal structure of p73 DNA binding domain complex bound with 1 bp and 2 bp spacer DNA response elements.
分子名称: 12-mer DNA, Tumor protein p73, ZINC ION
著者Koley, T, Roy Chowdhury, S, Kumar, M, Kaur, P, Singh, T.P, Viadiu, H, Ethayathulla, A.S.
登録日2021-06-01
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Deciphering the mechanism of p73 recognition of p53 response elements using the crystal structure of p73-DNA complexes and computational studies.
Int.J.Biol.Macromol., 206, 2022
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
分子名称: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-01-28
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
3MWU
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BU of 3mwu by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95
分子名称: 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-05-06
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
7EB1
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BU of 7eb1 by Molmil
Solution NMR structure of the RRM domain of RNA binding protein RBM3 from homo sapiens
分子名称: RNA-binding protein 3
著者Boral, S, Roy, S, Basak, A.J, Maiti, S, Lee, W, De, S.
登録日2021-03-08
公開日2021-12-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and dynamic studies of the human RNA binding protein RBM3 reveals the molecular basis of its oligomerization and RNA recognition.
Febs J., 289, 2022
3N51
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BU of 3n51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor RM-1-95
分子名称: 1,2-ETHANEDIOL, 3-(naphthalen-1-ylmethyl)-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, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-05-24
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
分子名称: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published
4WG4
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BU of 4wg4 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
分子名称: 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
to be published
3NYV
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BU of 3nyv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with non-specific inhibitor WHI-P180
分子名称: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-07-15
公開日2010-07-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Binding modes of non-specific inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from T. gondii and C. parvum
To be Published
4MX9
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BU of 4mx9 by Molmil
CDPK1 from Neospora caninum in complex with inhibitor UW1294
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-09-26
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
4MXA
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CDPK1 from Neospora caninum in complex with inhibitor RM-1-132
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-09-26
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014

 

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