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4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
著者Merritt, E.A.
登録日2015-03-17
公開日2016-04-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4JBV
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BU of 4jbv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268
分子名称: 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
著者Merritt, E.A, Larson, E.T.
登録日2013-02-20
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
6BFA
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BU of 6bfa by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553
分子名称: 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2017-10-26
公開日2017-12-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
2WMO
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BU of 2wmo by Molmil
Structure of the complex between DOCK9 and Cdc42.
分子名称: CELL DIVISION CONTROL PROTEIN 42 HOMOLOG, DEDICATOR OF CYTOKINESIS PROTEIN 9, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Yang, J, Roe, S.M, Barford, D.
登録日2009-07-02
公開日2009-09-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Activation of Rho Gtpases by Dock Exchange Factors is Mediated by a Nucleotide Sensor.
Science, 325, 2009
2WMN
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BU of 2wmn by Molmil
Structure of the complex between DOCK9 and Cdc42-GDP.
分子名称: CELL DIVISION CONTROL PROTEIN 42 HOMOLOG, DEDICATOR OF CYTOKINESIS PROTEIN 9, GUANOSINE-5'-DIPHOSPHATE
著者Yang, J, Roe, S.M, Barford, D.
登録日2009-07-02
公開日2009-09-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Activation of Rho Gtpases by Dock Exchange Factors is Mediated by a Nucleotide Sensor.
Science, 325, 2009
2WM9
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Structure of the complex between DOCK9 and Cdc42.
分子名称: CELL DIVISION CONTROL PROTEIN 42 HOMOLOG, DEDICATOR OF CYTOKINESIS PROTEIN 9, GLYCEROL
著者Yang, J, Roe, S.M, Barford, D.
登録日2009-06-30
公開日2009-09-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Activation of Rho Gtpases by Dock Exchange Factors is Mediated by a Nucleotide Sensor.
Science, 325, 2009
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
分子名称: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-04-13
公開日2018-05-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
6ASG
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BU of 6asg by Molmil
Crystal structure of Thermus thermophilus RNA polymerase core enzyme
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Liu, Y, Lin, W, Ying, R, Ebright, R.H.
登録日2017-08-24
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
分子名称: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-27
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
7C00
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BU of 7c00 by Molmil
Crystal structure of the SRCR domain of human SCARA5.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5
著者Yu, B, He, Y.
登録日2020-04-29
公開日2020-09-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interactions of ferritin with scavenger receptor class A members.
J.Biol.Chem., 295, 2020
7BV5
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BU of 7bv5 by Molmil
Crystal structure of the yeast heterodimeric ADAT2/3
分子名称: ZINC ION, tRNA-specific adenosine deaminase subunit TAD2, tRNA-specific adenosine deaminase subunit TAD3
著者Xie, W, Liu, X, Chen, R, Sun, Y, Chen, R, Zhou, J, Tian, Q.
登録日2020-04-09
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the yeast heterodimeric ADAT2/3 deaminase.
Bmc Biol., 18, 2020
7BZZ
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BU of 7bzz by Molmil
Crystal structure of the SRCR domain of mouse SCARA5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5
著者Yu, B, He, Y.
登録日2020-04-29
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Interactions of ferritin with scavenger receptor class A members.
J.Biol.Chem., 295, 2020
7BPH
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BU of 7bph by Molmil
Crystal structure of GppNHp-bound GNAS in complex with the cyclic peptide inhibitor GN13
分子名称: CHLORIDE ION, GLYCEROL, GN13, ...
著者Hu, Q, Dai, S, Shokat, K.M.
登録日2020-03-22
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides.
Cell, 2022
7TP3
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BU of 7tp3 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2
分子名称: CACODYLATE ION, K288.2 heavy chain, K288.2 light chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2022-01-24
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
7TLX
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BU of 7tlx by Molmil
Crystal Structure of cytochrome c from Pseudomonas putida S16
分子名称: C-type cytochrome, HEME C
著者Wu, K, Dulchavsky, M, Stull, F, Bardwell, J.C.A.
登録日2022-01-19
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The enzyme pseudooxynicotine amine oxidase from Pseudomonas putida S16 is not an oxidase, but a dehydrogenase.
J.Biol.Chem., 298, 2022
7U5K
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BU of 7u5k by Molmil
Cryo-EM Structure of DPYSL2
分子名称: Dihydropyrimidinase-related protein 2
著者Morgan, C.E, Yu, E.W.
登録日2022-03-02
公開日2022-12-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Toward structural-omics of the bovine retinal pigment epithelium.
Cell Rep, 41, 2022
7U0R
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BU of 7u0r by Molmil
Crystal structure of Methanomethylophilus alvus PylRS(N166A/V168A) complexed with meta-trifluoromethyl-2-benzylmalonate and AMP-PNP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Swenson, C.V, Roe, L.T, Fricke, R.C.B, Smaga, S.S, Gee, C.L, Schepartz, A.
登録日2022-02-18
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Expanding the substrate scope of pyrrolysyl-transfer RNA synthetase enzymes to include non-alpha-amino acids in vitro and in vivo.
Nat.Chem., 15, 2023
4JPW
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BU of 4jpw by Molmil
Crystal structure of broadly and potently neutralizing antibody 12a21 in complex with hiv-1 strain 93th057 gp120 mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY 12A21, ...
著者Acharya, P, Luongo, T, Zhou, T, Kwong, P.D.
登録日2013-03-19
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.904 Å)
主引用文献Somatic mutations of the immunoglobulin framework are generally required for broad and potent HIV-1 neutralization.
Cell(Cambridge,Mass.), 153, 2013
7U6L
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BU of 7u6l by Molmil
Pseudooxynicotine amine oxidase
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Choudhary, V, Stull, F, Wu, K.
登録日2022-03-04
公開日2022-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The enzyme pseudooxynicotine amine oxidase from Pseudomonas putida S16 is not an oxidase, but a dehydrogenase.
J.Biol.Chem., 298, 2022
8K9U
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BU of 8k9u by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 2 (ADKI2)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ...
著者Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
登録日2023-08-01
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
2OBT
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BU of 2obt by Molmil
Crystal Structures of P Domain of Norovirus VA387 in Complex with Blood Group Trisaccharides type B
分子名称: Capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose
著者Cao, S, Li, X, Rao, Z.
登録日2006-12-20
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Recognition of Blood Group Trisaccharides by Norovirus
J.Virol., 81, 2007
8K9W
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Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 4 (ADKI4)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase, ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
著者Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
登録日2023-08-01
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9V
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Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 3 (ADKI3)
分子名称: GLYCEROL, LYSINE, Lysine--tRNA ligase, ...
著者Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
登録日2023-08-01
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9S
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BU of 8k9s by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ...
著者Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
登録日2023-08-01
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9X
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Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 5 (ADKI5)
分子名称: (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase
著者Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
登録日2023-08-01
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024

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