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5E26
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BU of 5e26 by Molmil
Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者DONG, A, LOPPNAU, P, RAVICHANDRAN, M, CHENG, C, TEMPEL, W, SEITOVA, A, HUTCHINSON, A, HONG, B.S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC)
登録日2015-09-30
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
to be published
8SHJ
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BU of 8shj by Molmil
Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279
分子名称: N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-04-14
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
6BW4
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BU of 6bw4 by Molmil
Crystal structure of RBBP4 in complex with PRDM16 N-terminal peptide
分子名称: Histone-binding protein RBBP4, PR domain zinc finger protein 16, UNKNOWN ATOM OR ION
著者Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-12-14
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
4NWG
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BU of 4nwg by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
登録日2013-12-06
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
To be Published
4YY8
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BU of 4yy8 by Molmil
Crystal Structure Analysis of Kelch protein from Plasmodium falciparum
分子名称: GLYCEROL, Kelch protein, UNKNOWN ATOM OR ION
著者Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, El Bakkouri, M, Senisterra, G, Osman, K.T, Lovato, D.V, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2015-03-23
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal Structure Analysis of Kelch protein from Plasmodium falciparum.
to be published
6BW3
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BU of 6bw3 by Molmil
Crystal structure of RBBP4 in complex with PRDM3 N-terminal peptide
分子名称: Histone-binding protein RBBP4, MDS1 and EVI1 complex locus protein MDS1, UNKNOWN ATOM OR ION
著者Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-12-14
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
3LIJ
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BU of 3lij by Molmil
Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP
分子名称: CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, MAGNESIUM ION, ...
著者Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2010-01-25
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP
To be Published
4ZGC
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BU of 4zgc by Molmil
Crystal Structure Analysis of Kelch protein (with disulfide bond) from Plasmodium falciparum
分子名称: Kelch protein, UNKNOWN ATOM OR ION
著者Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, El Bakkouri, M, Senisterra, G, Osman, K.T, Lovato, D.V, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2015-04-22
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of kelch protein with disulfide bond from Plasmodium falciparum.
to be published
3L19
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BU of 3l19 by Molmil
Crystal structure of calcium binding domain of CpCDPK3, cgd5_820
分子名称: CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL, ...
著者Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2009-12-11
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of calcium binding domain of CpCDPK3, cgd5_820
To be Published
3KHD
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BU of 3khd by Molmil
Crystal Structure of PFF1300w.
分子名称: Pyruvate kinase
著者Wernimont, A.K, Hutchinson, A, Hassanali, A, Mackenzie, F, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J.C, Bakszt, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2009-10-30
公開日2010-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of PFF1300w.
To be Published
4NWF
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BU of 4nwf by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
登録日2013-12-06
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
To be Published
4NXJ
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BU of 4nxj by Molmil
Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
分子名称: Bromodomain protein
著者Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC)
登録日2013-12-09
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
TO BE PUBLISHED
5DYK
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BU of 5dyk by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form
分子名称: 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ...
著者Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-09-24
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5F0A
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BU of 5f0a by Molmil
CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine INHIBITOR
分子名称: 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, cGMP-dependent protein kinase, putative
著者Walker, J.R, Wernimont, A.K, He, H, Seitova, A, Loppnau, P, Sibley, L.D, Graslund, S, Hutchinson, A, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Hui, R, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-11-27
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND INHIBITOR
To be published
5FET
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BU of 5fet by Molmil
Crystal Structure of PVX_084705 in presence of Compound 2
分子名称: 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative
著者Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-12-17
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Crystal Structure of PVX_084705 in presence of Compound 2
To be published
5DZC
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BU of 5dzc by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound
分子名称: CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ...
著者Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, He, H, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2015-09-25
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5DYL
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BU of 5dyl by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form
分子名称: cGMP-dependent protein kinase, putative
著者Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-09-24
公開日2015-11-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
3Q5J
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BU of 3q5j by Molmil
Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin
分子名称: (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, Heat shock protein 83-1
著者Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-12-28
公開日2011-02-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin.
To be Published
3OZ6
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BU of 3oz6 by Molmil
Crystal structure of MapK from Cryptosporidium Parvum, cgd2_1960
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, serine/threonine protein kinase
著者Wernimont, A.K, Lew, J, Lin, Y.H, Sullivan, H, Hassanali, A, Kozieradzki, I, Cossar, D, Arrowsmith, C.H, Bochkarev, A, Bountra, C, Edwards, A.M, Weigelt, J, Hui, R, Neculai, A.M, Hutchinson, A, Structural Genomics Consortium (SGC)
登録日2010-09-24
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of MapK from Cryptosporidium Parvum, cgd2_1960
To be Published
3Q5I
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BU of 3q5i by Molmil
Crystal Structure of PBANKA_031420
分子名称: CALCIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Wernimont, A.K, Hutchinson, A, Sullivan, H, Panico, E, Crombet, L, Cossar, D, Hassani, A, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Neculai, A.M, Amani, M, Structural Genomics Consortium (SGC)
登録日2010-12-28
公開日2011-06-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of CDPK1 from Plasmodium Bergheii, PBANKA_031420
To be Published
3MA8
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BU of 3ma8 by Molmil
Crystal structure of CGD1_2040, a pyruvate kinase from cryptosporidium Parvum
分子名称: CITRIC ACID, Pyruvate kinase, SULFATE ION
著者Wernimont, A.K, Hutchinson, A, Hassanali, A, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Pizarro, J.C, Structural Genomics Consortium (SGC)
登録日2010-03-23
公開日2010-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Crystal structure of CGD1_2040, a pyruvate kinase from cryptosporidium Parvum
To be Published
3N72
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BU of 3n72 by Molmil
Crystal Structure of Aha-1 from plasmodium falciparum, PFC0270w
分子名称: THIOCYANATE ION, putative activator of HSP90
著者Wernimont, A.K, Dong, A, Hutchinson, A, Sullivan, H, Mackenzie, F, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-05-26
公開日2010-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal Structure of Aha-1 from plasmodium falciparum, PFC0270w
To be Published
3IED
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BU of 3ied by Molmil
Crystal structure of N-terminal domain of Plasmodium falciparum Hsp90 (PF14_0417) in complex with AMPPN
分子名称: AMP PHOSPHORAMIDATE, Heat shock protein
著者Pizarro, J.C, Wernimont, A.K, Lew, J, Hutchinson, A, Artz, J.D, Amaya, M.F, Plotnikova, O, Vedadi, M, Kozieradzki, I, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Botchkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2009-07-22
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of N-terminal domain of Plasmodium falciparum Hsp90 (PF14_0417) in complex with AMPPN
TO BE PUBLISHED
3IS5
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BU of 3is5 by Molmil
Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720
分子名称: CALCIUM ION, Calcium-dependent protein kinase, GLYCEROL, ...
著者Wernimont, A.K, Artz, J.D, Senisterra, G, MacKenzie, F, Hutchinson, A, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2009-08-25
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720
To be Published
5U9N
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BU of 5u9n by Molmil
Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine
分子名称: Bromo domain containing protein, Bromosporine, SULFATE ION
著者Hou, C.F.D, Lin, Y.H, Loppnau, P, Hutchinson, A, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2016-12-16
公開日2017-01-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine
To be published

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