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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)
Descriptor: Azurin, COPPER (II) ION
Authors:Inampudi, K.K, Meng, W, Tobin, P.H, Wilson, C.J.
Deposit date:2013-05-11
Release date:2014-05-14
Method:X-RAY DIFFRACTION (1.738 Å)
Cite: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)
Descriptor: Azurin, COPPER (II) ION
Authors:Inampudi, K.K, Tobin, P.H, Wilson, C.J.
Deposit date:2013-05-11
Release date:2014-05-14
Method:X-RAY DIFFRACTION (1.459 Å)
Cite: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)
Descriptor: Azurin, COPPER (II) ION
Authors:Inampudi, K.K, Tobin, P.H, Wilson, C.J.
Deposit date:2013-05-11
Release date:2014-05-14
Method:X-RAY DIFFRACTION (2.054 Å)
Cite: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)
Descriptor: Azurin, COPPER (II) ION
Authors:Inampudi, K.K, Meng, W, Tobin, P.H, Wilson, C.J.
Deposit date:2013-05-11
Release date:2014-05-14
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite: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)
Descriptor: Azurin, COPPER (II) ION
Authors:Inampudi, K.K, Wang, Y, Meng, W, Tobin, P.H, Wilson, C.J.
Deposit date:2013-05-11
Release date:2014-05-14
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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)
Descriptor: Azurin, COPPER (II) ION
Authors:Inampudi, K.K, Meng, W, Tobin, P.H, Wilson, C.J.
Deposit date:2013-05-11
Release date:2014-05-14
Method:X-RAY DIFFRACTION (1.867 Å)
Cite: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
Descriptor: Peptidyl-tRNA hydrolase
Authors:Kulandaisamy, R, Das, U, Inampudi, K.K.
Deposit date:2022-02-04
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16s ribosomal RNA, 23s ribosomal RNA, ...
Authors: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.
Deposit date:2015-04-20
Release date:2015-05-20
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The proline-rich antimicrobial peptide Onc112 inhibits translation by blocking and destabilizing the initiation complex.
Nat.Struct.Mol.Biol., 22, 2015
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
Descriptor: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
to be published
4TZR
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BU of 4tzr by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
Descriptor: 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
Authors:Merritt, E.A.
Deposit date:2014-07-10
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
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
Descriptor: 1,2-ETHANEDIOL, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.988 Å)
Cite: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
Descriptor: 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2010-02-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 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
Descriptor: RNA-binding protein 3
Authors:Boral, S, Roy, S, Basak, A.J, Maiti, S, Lee, W, De, S.
Deposit date:2021-03-08
Release date:2021-12-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
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.
Descriptor: 12-mer DNA, Tumor protein p73, ZINC ION
Authors:Koley, T, Roy Chowdhury, S, Kumar, M, Kaur, P, Singh, T.P, Viadiu, H, Ethayathulla, A.S.
Deposit date:2021-06-01
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Descriptor: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2015-03-03
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
4JBV
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BU of 4jbv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268
Descriptor: 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2013-02-20
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of potent and selective Plasmodium falciparum calcium-dependent protein kinase 4 (PfCDPK4) inhibitors that block the transmission of malaria to mosquitoes.
Eur.J.Med.Chem., 74, 2014
3SXF
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BU of 3sxf by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89
Descriptor: 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
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
Descriptor: 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
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-25
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
Descriptor: 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, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-25
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
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
Descriptor: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding modes of non-specific inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from T. gondii and C. parvum
To be Published
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
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012

 

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