4ZEG
 
 | | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dual specificity protein kinase TTK, ... | | Authors: | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Battaile, K, Chirgadze, N.Y. | | Deposit date: | 2015-04-20 | | Release date: | 2016-04-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor.
To Be Published
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3L19
 | | Crystal structure of calcium binding domain of CpCDPK3, cgd5_820 | | Descriptor: | CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL, ... | | Authors: | 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) | | Deposit date: | 2009-12-11 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal structure of calcium binding domain of CpCDPK3, cgd5_820
To be Published
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3LIJ
 | | Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP | | Descriptor: | CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, MAGNESIUM ION, ... | | Authors: | 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) | | Deposit date: | 2010-01-25 | | Release date: | 2010-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP
To be Published
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3MES
 | | Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Choline kinase, DECAMETHONIUM ION, ... | | Authors: | Qiu, W, Wernimont, A, Hills, T, Lew, J, Artz, J.D, Xiao, T, Allali-Hassani, A, Vedadi, M, Kozieradzki, I, Cossar, D, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Hui, R, Ma, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
TO BE PUBLISHED
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1XF0
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) complexed with delta4-androstene-3,17-dione and NADP | | Descriptor: | 4-ANDROSTENE-3-17-DIONE, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | | Authors: | Qiu, W, Zhou, M, Labrie, F, Lin, S.-X. | | Deposit date: | 2004-09-13 | | Release date: | 2004-10-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the multispecific 17beta-hydroxysteroid dehydrogenase type 5: critical androgen regulation in human peripheral tissues
Mol.Endocrinol., 18, 2004
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3B7P
 | | Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMINE, Spermidine synthase | | Authors: | Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-10-31 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine.
To be Published
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4NWF
 | | Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y. | | Deposit date: | 2013-12-06 | | Release date: | 2014-12-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
To be Published
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4O6L
 | | Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide) | | Descriptor: | Dual specificity protein kinase TTK, GLYCEROL, N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide | | Authors: | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. | | Deposit date: | 2013-12-22 | | Release date: | 2014-12-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal Structure of TTK kinase domain with an inhibitor: 401498
TO BE PUBLISHED
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4PNS
 | | Crystal Structure of human Tankyrase 2 in complex with INH2BP. | | Descriptor: | 6-amino-5-iodo-2H-chromen-2-one, GLYCEROL, Tankyrase-2, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-25 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4PNN
 | | Crystal Structure of human Tankyrase 2 in complex with 4HQN. | | Descriptor: | Tankyrase-2, ZINC ION, quinazolin-4(1H)-one | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4PML
 | | Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide. | | Descriptor: | 1,2-ETHANEDIOL, 3-aminobenzamide, DIMETHYL SULFOXIDE, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4PNL
 | | Crystal structure of TNKS-2 in complex with DR2313. | | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-23 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4PNQ
 | | Crystal Structure of human Tankyrase 2 in complex with 5AIQ. | | Descriptor: | 5-aminoisoquinolin-1(4H)-one, ISOPROPYL ALCOHOL, Tankyrase-2, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4NWG
 | | Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y. | | Deposit date: | 2013-12-06 | | Release date: | 2014-12-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
To be Published
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4PNM
 | | Crystal Structure of human Tankyrase 2 in complex with Nu1025. | | Descriptor: | 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, Tankyrase-2, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-23 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4PNR
 | | Crystal Structure of human Tankyrase 2 in complex with TIQ-A. | | Descriptor: | 4H-thieno[2,3-c]isoquinolin-5-one, ETHANOL, GLYCEROL, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4PNT
 | | Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD. | | Descriptor: | 5-hydroxyisoquinolin-1(4H)-one, Tankyrase-2, ZINC ION | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-25 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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2PWP
 | | Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermidine | | Descriptor: | GLYCEROL, SPERMIDINE, SULFATE ION, ... | | Authors: | Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-05-11 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermidine.
To be Published
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2PWQ
 | | Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii | | Descriptor: | Ubiquitin conjugating enzyme | | Authors: | Qiu, W, Dong, A, Hassanali, A, Lin, L, Brokx, S, Altamentova, S, Hills, T, Lew, J, Ravichandran, M, Kozieradzki, I, Zhao, Y, Schapira, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-05-11 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii.
To be Published
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4TJW
 | | Crystal Structure of human Tankyrase 2 in complex with PJ-34. | | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Tankyrase-2, ZINC ION | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-25 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4TKG
 | | Crystal Structure of human Tankyrase 2 in complex with AZD2281. | | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Tankyrase-2, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-26 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4TK5
 | | Crystal Structure of human Tankyrase 2 in complex with EB47. | | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Tankyrase-2, ZINC ION | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-25 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4TJY
 | | Crystal Structure of human Tankyrase 2 in complex with ABT-888. | | Descriptor: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Tankyrase-2, ZINC ION | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-25 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4TKI
 | | Crystal Structure of human Tankyrase 2 in complex with BSI-201. | | Descriptor: | 4-iodo-3-nitrobenzamide, ISOPROPYL ALCOHOL, Tankyrase-2, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-26 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4TKF
 | | Crystal Structure of human Tankyrase 2 in complex with IWR-1. | | Descriptor: | 3-aminobenzamide, 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-2, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-26 | | Release date: | 2014-11-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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