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PDB: 458 results

3MA6
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Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1
Descriptor: 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Wernimont, A.K, Qiu, W, Amani, M, Artz, J.D, Hassani, A.A, Senisterra, G, Vedadi, M, Sibley, L.D, Lourido, S, Shokat, K, Zhang, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2010-03-23
Release date:2010-07-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1
To be Published
5W3N
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BU of 5w3n by Molmil
Molecular structure of FUS low sequence complexity domain protein fibrils
Descriptor: RNA-binding protein FUS
Authors:Murray, D.T, Kato, M, Lin, Y, Thurber, K, Hung, I, McKnight, S, Tycko, R.
Deposit date:2017-06-08
Release date:2017-09-27
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structure of FUS Protein Fibrils and Its Relevance to Self-Assembly and Phase Separation of Low-Complexity Domains.
Cell, 171, 2017
3MSE
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BU of 3mse by Molmil
Crystal structure of C-terminal domain of PF110239.
Descriptor: CALCIUM ION, Calcium-dependent protein kinase, putative, ...
Authors:Wernimont, A.K, Artz, J.D, Hutchinson, A, Sullivan, H, Weadge, J, Tempel, W, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Lin, Y.H, Neculai, A.M, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2010-04-29
Release date:2010-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of C-terminal domain of PF110239
To be Published
3L19
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BU of 3l19 by Molmil
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
3NIZ
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BU of 3niz by Molmil
Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with ADP bound.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rhodanese family protein
Authors:Wernimont, A.K, Dong, A, Lew, J, Lin, Y.H, Hassanali, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2010-06-16
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with ADP bound.
To be Published
5W8R
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BU of 5w8r by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
Descriptor: 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors: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)
Deposit date:2017-06-22
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
To be published
5W9E
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BU of 5w9e by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186
Descriptor: 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors: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.
Deposit date:2017-06-23
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186
To be published
5W80
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BU of 5w80 by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
Descriptor: 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors: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, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2017-06-21
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
To be published
5W9R
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BU of 5w9r by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138
Descriptor: 1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors: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.
Deposit date:2017-06-23
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138
To be published
5W91
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BU of 5w91 by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118
Descriptor: 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors: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)
Deposit date:2017-06-22
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118
To be published
5ULC
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BU of 5ulc by Molmil
PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
Descriptor: Bromodomain protein 1
Authors:Wernimont, A.K, Amaya, M.F, Lam, A, Ali, A, Zhang, A.Z, Kenzina, L, Lin, Y.H, MacKenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Hui, R, Walker, J.R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC)
Deposit date:2017-01-24
Release date:2017-02-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
To be published
3UOW
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BU of 3uow by Molmil
Crystal Structure of PF10_0123, a GMP Synthetase from Plasmodium Falciparum
Descriptor: CALCIUM ION, GMP synthetase, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Wernimont, A.K, Dong, A, Hills, T, Amani, M, Perieteanu, A, Lin, Y.H, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2011-11-17
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal Structure of PF10_0123, a GMP Synthetase from Plasmodium Falciparum
TO BE PUBLISHED
6BYA
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BU of 6bya by Molmil
Crystal structure of LdBPK_091320 with inhibitor bound
Descriptor: 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein
Authors:Dong, A, Lin, Y.H, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2017-12-20
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of LdBPK_091320.1 with with inhibitor bound
to be published
2LKN
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BU of 2lkn by Molmil
Solution structure of the PPIase domain of human aryl-hydrocarbon receptor-interacting protein (AIP)
Descriptor: AH receptor-interacting protein
Authors:Linnert, M, Lin, Y, Manns, A, Haupt, K, Paschke, A, Fischer, G, Weiwad, M, Luecke, C.
Deposit date:2011-10-17
Release date:2012-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The FKBP-Type Domain of the Human Aryl Hydrocarbon Receptor-Interacting Protein Reveals an Unusual Hsp90 Interaction.
Biochemistry, 52, 2013
4LMY
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BU of 4lmy by Molmil
Structure of GAS PerR-Zn-Zn
Descriptor: Peroxide stress regulator PerR, FUR family, ZINC ION
Authors:Lin, C.S, Chao, S.Y, Nix, J.C, Tseng, H.L, Tsou, C.C, Fei, C.H, Ciou, H.S, Jeng, U.S, Lin, Y.S, Chuang, W.J, Wu, J.J, Wang, S.
Deposit date:2013-07-11
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Distinct structural features of the peroxide response regulator from group a streptococcus drive DNA binding
Plos One, 9, 2014
3OIP
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BU of 3oip by Molmil
Crystal structure of Yeast telomere protein Cdc13 OB1
Descriptor: Cell division control protein 13
Authors:Sun, J, Yang, Y, Wan, K, Mao, N, Yu, T.Y, Lin, Y.C, DeZwaan, D.C, Freeman, B.C, Lin, J.J, Lue, N.F, Lei, M.
Deposit date:2010-08-19
Release date:2010-11-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural bases of dimerization of yeast telomere protein Cdc13 and its interaction with the catalytic subunit of DNA polymerase alpha.
Cell Res., 21, 2011
1ZPA
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BU of 1zpa by Molmil
HIV Protease with Scripps AB-3 Inhibitor
Descriptor: Pol polyprotein, TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE
Authors:Brik, A, Alexandratos, J, Lin, Y.C, Elder, J.H, Olson, A.J, Wlodawer, A, Goodsell, D.S, Wong, C.H.
Deposit date:2005-05-16
Release date:2005-05-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors
Chembiochem, 6, 2005
3EX8
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BU of 3ex8 by Molmil
Complex structure of bacillus subtilis RibG reduction mechanism in riboflavin biosynthesis
Descriptor: Riboflavin biosynthesis protein ribD, ZINC ION, [(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Authors:Chen, S.C, Lin, Y.H, Yu, H.C, Liaw, S.H.
Deposit date:2008-10-16
Release date:2008-11-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Complex structure of Bacillus subtilis RibG: the reduction mechanism during riboflavin biosynthesis.
J.Biol.Chem., 284, 2009
5U6I
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BU of 5u6i by Molmil
Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity
Descriptor: 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W.
Deposit date:2016-12-08
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
7XQL
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BU of 7xql by Molmil
complex structure of LegA15 with GNP
Descriptor: Ankyrin repeat-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Chen, T.T, Lin, Y.L.
Deposit date:2022-05-07
Release date:2023-05-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.272 Å)
Cite:Atypical Legionella GTPase effector hijacks host vesicular transport factor p115 to regulate host lipid droplet.
Sci Adv, 8, 2022
4H5E
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BU of 4h5e by Molmil
Crystal structure of human FPPS in ternary complex with YS0470 and isopentenyl pyrophosphate
Descriptor: Farnesyl pyrophosphate synthase, ISOPENTYL PYROPHOSPHATE, MAGNESIUM ION, ...
Authors:Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2012-09-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure.
Bmc Struct.Biol., 12, 2012
4H5C
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BU of 4h5c by Molmil
Crystal structure of human FPPS in ternary complex with YS0470 and inorganic phosphate
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2012-09-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure.
Bmc Struct.Biol., 12, 2012
6KRF
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BU of 6krf by Molmil
An X-ray structure of ferric F43Y/F46S sperm whale myoglobin in complex with guaiacol
Descriptor: Guaiacol, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H, Lin, Y.W.
Deposit date:2019-08-21
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Catalytic Binding Site Together with a Distal Tyr in MyoglobinAffords Catalytic Efficiencies Similar to Natural Peroxidases.
Acs Catalysis, 10, 2020
7ZJJ
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BU of 7zjj by Molmil
CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379
Descriptor: CspZ, NITRATE ION
Authors:Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
7ZJM
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Crystal structure of a complex between CspZ from Borrelia burgdorferi strain B408 and human FH SCR domains 6-7
Descriptor: Complement factor H, CspZ, DI(HYDROXYETHYL)ETHER, ...
Authors:Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023

227561

数据于2024-11-20公开中

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