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5DVR
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BU of 5dvr by Molmil
Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
分子名称: 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION
著者Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC)
登録日2015-09-21
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
to be published
5FG8
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BU of 5fg8 by Molmil
Drosophila CaMKII-wt in complex with a fragment of the Eag potassium channel and Mg2+/ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II alpha chain, GLYCEROL, ...
著者Castro-Rodrigues, A.F, Morais-Cabral, J.H.
登録日2015-12-20
公開日2016-12-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.955 Å)
主引用文献The Interaction between the Drosophila EAG Potassium Channel and the Protein Kinase CaMKII Involves an Extensive Interface at the Active Site of the Kinase.
J.Mol.Biol., 430, 2018
6BAB
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BU of 6bab by Molmil
The structure of human CamKII with bound inhibitor
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit delta, L(+)-TARTARIC ACID, N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
著者Somoza, J.R, Villasenor, A.G.
登録日2017-10-12
公開日2017-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献TBD
To Be Published
6BQP
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BU of 6bqp by Molmil
Crystal Structure of the Human CAMKK2B in complex with Crenolanib
分子名称: 1,2-ETHANEDIOL, 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, Calcium/calmodulin-dependent protein kinase kinase 2
著者Counago, R.M, de Souza, G.P, dos Reis, C.V, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-11-28
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the Human CAMKK2B in complex with Crenolanib
To Be Published
6BQQ
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BU of 6bqq by Molmil
Crystal Structure of the Human CAMKK2B in complex with BI2526
分子名称: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Calcium/calmodulin-dependent protein kinase kinase 2
著者Counago, R.M, de Souza, G.P, dos Reis, C.V, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-11-28
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Human CAMKK2B in complex with BI2526
To Be Published
6BQL
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BU of 6bql by Molmil
Crystal Structure of the Human CAMKK2B in complex with TAE-226
分子名称: 1,2-ETHANEDIOL, 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, ACETATE ION, ...
著者Counago, R.M, de Souza, G.P, dos Reis, C.V, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-11-28
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Human CAMKK2B in complex with TAE-226
To Be Published
6BLE
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BU of 6ble by Molmil
Crystal Structure of the Human CAMKK2B in complex with CP673451
分子名称: 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine, Calcium/calmodulin-dependent protein kinase kinase 2, GLYCEROL
著者Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-11-10
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Human CAMKK2B in complex with CP673451
To Be Published
6BRC
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BU of 6brc by Molmil
Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1)
分子名称: 5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine, Calcium/calmodulin-dependent protein kinase kinase 2, SODIUM ION
著者Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-11-30
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1)
To Be Published
6BKU
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BU of 6bku by Molmil
Crystal Structure of the Human CAMKK2B bound to GSK650394
分子名称: 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, FORMIC ACID
著者Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-11-09
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Human CAMKK2B bound to GSK650394
To Be Published
8GLV
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BU of 8glv by Molmil
96-nm repeat unit of doublet microtubules from Chlamydomonas reinhardtii flagella
分子名称: 28 kDa inner dynein arm light chain, axonemal, AAA+ ATPase domain-containing protein, ...
著者Walton, T, Brown, A.
登録日2023-03-23
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Axonemal structures reveal mechanoregulatory and disease mechanisms.
Nature, 618, 2023
6TJ7
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BU of 6tj7 by Molmil
T. gondii myosin A trimeric complex
分子名称: 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Pazicky, S, Loew, C.
登録日2019-11-25
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural role of essential light chains in the apicomplexan glideosome.
Commun Biol, 3, 2020
3MFT
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BU of 3mft by Molmil
CASK-4M CaM Kinase Domain, Mn2+
分子名称: Peripheral plasma membrane protein CASK
著者Wahl, M.C, Mukherjee, K.
登録日2010-04-03
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution of CASK into a Mg2+-sensitive kinase.
Sci.Signal., 3, 2010
3MFS
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BU of 3mfs by Molmil
CASK-4M CaM Kinase Domain, AMPPNP
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Peripheral plasma membrane protein CASK
著者Wahl, M.C, Mukherjee, K.
登録日2010-04-03
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolution of CASK into a Mg2+-sensitive kinase.
Sci.Signal., 3, 2010
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
3MFU
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BU of 3mfu by Molmil
CASK-4M CaM Kinase Domain, AMPPNP-Mn2+
分子名称: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Peripheral plasma membrane protein CASK
著者Wahl, M.C, Mukherjee, K.
登録日2010-04-03
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evolution of CASK into a Mg2+-sensitive kinase.
Sci.Signal., 3, 2010
3MFR
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BU of 3mfr by Molmil
CASK-4M CaM Kinase Domain, native
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Peripheral plasma membrane protein CASK
著者Wahl, M.C, Mukherjee, K.
登録日2010-04-03
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of CASK into a Mg2+-sensitive kinase.
Sci.Signal., 3, 2010
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
8SIK
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BU of 8sik by Molmil
KCNQ1 with voltage sensor in the up conformation
分子名称: CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1
著者Mandala, V.S, MacKinnon, R.
登録日2023-04-16
公開日2023-05-31
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The membrane electric field regulates the PIP 2 -binding site to gate the KCNQ1 channel.
Proc.Natl.Acad.Sci.USA, 120, 2023
8SIM
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BU of 8sim by Molmil
KCNQ1 with voltage sensor in the intermediate conformation
分子名称: CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1
著者Mandala, V.S, MacKinnon, R.
登録日2023-04-16
公開日2023-05-31
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献The membrane electric field regulates the PIP 2 -binding site to gate the KCNQ1 channel.
Proc.Natl.Acad.Sci.USA, 120, 2023
4JYS
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BU of 4jys by Molmil
Crystal structure of FKBP25 from Plasmodium Vivax
分子名称: CHLORIDE ION, IMIDAZOLE, Peptidyl-prolyl cis-trans isomerase
著者Sreekanth, R, Yoon, H.S.
登録日2013-04-01
公開日2014-02-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Plasmodium vivax FK506-binding protein 25 reveals conformational changes responsible for its noncanonical activity
Proteins, 82, 2014
5W6E
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BU of 5w6e by Molmil
PDE1b complexed with compound 3S
分子名称: 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
著者Vajdos, F.F.
登録日2017-06-16
公開日2018-05-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1.
J. Med. Chem., 61, 2018
5W8R
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BU of 5w8r by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
分子名称: 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2017-06-22
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
To be published
5VLO
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BU of 5vlo by Molmil
The structure of human CamKII with bound inhibitor
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium/calmodulin-dependent protein kinase type II subunit delta, N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
著者Somoza, J.R, Villasenor, A.G.
登録日2017-04-25
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Inhibitors of CamKII
To Be Published
7N6G
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BU of 7n6g by Molmil
C1 of central pair
分子名称: CPC1, Calmodulin, DPY30, ...
著者Han, L, Zhang, K.
登録日2021-06-08
公開日2022-05-18
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of an active central apparatus.
Nat.Struct.Mol.Biol., 29, 2022
7KL2
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BU of 7kl2 by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, NMDA 2B
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2020-10-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
To Be Published

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