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2JN9
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BU of 2jn9 by Molmil
NMR solution structure of YkvR protein from Bacillus subtilis: NESG target SR358
Descriptor: YkvR protein
Authors: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)
Deposit date:2006-12-29
Release date:2007-05-01
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:NMR solution structure of YkvR protein from Bacillus subtilis: NESG target SR358
To be Published
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
Descriptor: Alpha-conotoxin BuIA, MANGANESE (II) ION, Soluble acetylcholine receptor
Authors:Talley, T.T, Reger, A.S, Kim, C, Sankaran, B, Ho, K, Taylor, P, McIntosh, J.M.
Deposit date:2012-05-02
Release date:2013-05-08
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Pairwise interaction of alpha-conotoxin BuIA Pro6 with the beta subunit of nicotinic acetylcholine receptor
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.
Descriptor: IODIDE ION, MANGANESE (II) ION, TRIPHOSPHATE, ...
Authors:Kuwabara, N, Ho, K.
Deposit date:2019-11-03
Release date:2020-06-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 1,3-dimethyl-7-propyl-purine-2,6-dione, SULFATE ION, mRNA_triPase domain-containing protein
Authors:Kuwabara, N, Ho, K.
Deposit date:2019-11-03
Release date:2020-06-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite: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.
Descriptor: MANGANESE (II) ION, mRNA_triPase domain-containing protein
Authors:Kuwabara, N, Ho, K.
Deposit date:2019-11-03
Release date:2020-06-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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.
Descriptor: 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione, SULFATE ION, mRNA_triPase domain-containing protein
Authors:Kuwabara, N, Ho, K.
Deposit date:2019-11-03
Release date:2020-06-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite: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
Descriptor: 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, ...
Authors:Musil, D, Liu-Bujalski, L.
Deposit date:2022-11-06
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.188 Å)
Cite: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
Descriptor: 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
Authors:Musil, D, Lan, R.
Deposit date:2022-11-06
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
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
Descriptor: 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
Authors:Musil, D, Toure, M.
Deposit date:2023-02-09
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.821 Å)
Cite: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
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
Authors:Musil, D, Toure, M.
Deposit date:2023-02-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023

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数据于2024-07-31公开中

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