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4EZ1
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BU of 4ez1 by Molmil
Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with alpha-conotoxin BuIA
分子名称: Alpha-conotoxin BuIA, MANGANESE (II) ION, Soluble acetylcholine receptor
著者Talley, T.T, Reger, A.S, Kim, C, Sankaran, B, Ho, K, Taylor, P, McIntosh, J.M.
登録日2012-05-02
公開日2013-05-08
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Pairwise interaction of alpha-conotoxin BuIA Pro6 with the beta subunit of nicotinic acetylcholine receptor
To be Published
2JN9
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BU of 2jn9 by Molmil
NMR solution structure of YkvR protein from Bacillus subtilis: NESG target SR358
分子名称: YkvR protein
著者Gurla, S.V.T, Aramini, J.M, Chi Ho, K, Cunningham, K, Ma, L.-C, Xiao, R, Baran, M.C, Acton, T.B, Liu, J, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2006-12-29
公開日2007-05-01
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献NMR solution structure of YkvR protein from Bacillus subtilis: NESG target SR358
To be Published
6L7V
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BU of 6l7v by Molmil
Crystal structure of Cet1 from Trypanosoma cruzi in complex with tripolyphosphate, manganese and iodide ions.
分子名称: IODIDE ION, MANGANESE (II) ION, TRIPHOSPHATE, ...
著者Kuwabara, N, Ho, K.
登録日2019-11-03
公開日2020-06-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate.
J.Biol.Chem., 295, 2020
6L7X
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BU of 6l7x by Molmil
Crystal structure of Cet1 from Trypanosoma cruzi in complex with #951 ligand
分子名称: 1,3-dimethyl-7-propyl-purine-2,6-dione, SULFATE ION, mRNA_triPase domain-containing protein
著者Kuwabara, N, Ho, K.
登録日2019-11-03
公開日2020-06-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate.
J.Biol.Chem., 295, 2020
6L7W
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BU of 6l7w by Molmil
Crystal structure of Cet1 from Trypanosoma cruzi in complex with manganese ion.
分子名称: MANGANESE (II) ION, mRNA_triPase domain-containing protein
著者Kuwabara, N, Ho, K.
登録日2019-11-03
公開日2020-06-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate.
J.Biol.Chem., 295, 2020
6L7Y
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BU of 6l7y by Molmil
Crystal structure of Cet1 from Trypanosoma cruzi in complex with #466 ligand.
分子名称: 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione, SULFATE ION, mRNA_triPase domain-containing protein
著者Kuwabara, N, Ho, K.
登録日2019-11-03
公開日2020-06-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate.
J.Biol.Chem., 295, 2020
8BJT
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BU of 8bjt by Molmil
Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
分子名称: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
著者Musil, D, Liu-Bujalski, L.
登録日2022-11-06
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.188 Å)
主引用文献Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
8BJU
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BU of 8bju by Molmil
HUMAN WEE1 KINASE IN COMPLEX WITH INHIBITOR 1-[6-(1-Hydroxy-1-methyl-ethyl)-pyridin-2-yl]-2-(2-methoxy-phenyl)-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
分子名称: 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase
著者Musil, D, Lan, R.
登録日2022-11-06
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
8T3X
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BU of 8t3x by Molmil
TNA polymerase, closed ternary
分子名称: 10-92, TNA polymerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Maola, V, Chaput, J, Chim, N.
登録日2023-06-07
公開日2024-08-28
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Directed Evolution of a Highly Efficient TNA Polymerase Achieved by Homologous Recombination
To Be Published
8CIJ
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BU of 8cij by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one
分子名称: 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1
著者Musil, D, Toure, M.
登録日2023-02-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
8CDW
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BU of 8cdw by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 7-(1-methyl-1H-pyrazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinazolin-2-amine
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
著者Musil, D, Toure, M.
登録日2023-02-01
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023

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件を2024-09-04に公開中

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