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PDB: 15 件

8T59
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BU of 8t59 by Molmil
Crystal structure of Para.09 bound to TREM2
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Para.09 heavy chain, ...
著者Wallweber, H, Hsu, P.L.
登録日2023-06-12
公開日2024-07-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining.
Nat Commun, 15, 2024
6W3B
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BU of 6w3b by Molmil
Structure of apo unphosphorylated IRE1
分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1
著者Wallweber, H, Mortara, K, Ferri, E, Rudolph, J, Wang, W.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6W3C
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BU of 6w3c by Molmil
Structure of phosphorylated apo IRE1
分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1
著者Wallweber, H, Mortara, K, Ferri, E, Wang, W, Rudolph, J.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6XDD
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BU of 6xdd by Molmil
Crystal structure of IRE1 in complex with G-3053
分子名称: 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Ackerly-Wallweber, H, Wang, W.
登録日2020-06-10
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
4K1B
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BU of 4k1b by Molmil
Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2013-04-04
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.082 Å)
主引用文献Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4K18
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BU of 4k18 by Molmil
Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2013-04-04
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4K0Y
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BU of 4k0y by Molmil
Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2013-04-04
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4OLI
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BU of 4oli by Molmil
The pseudokinase/kinase protein from JAK-family member TYK2
分子名称: 2-chloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Eigenbrot, C, Ultsch, M, Wallweber, H.
登録日2014-01-23
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the pseudokinase-kinase domains from protein kinase TYK2 reveals a mechanism for Janus kinase (JAK) autoinhibition.
Proc.Natl.Acad.Sci.USA, 111, 2014
5DGZ
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BU of 5dgz by Molmil
Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors
分子名称: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2015-08-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5DHJ
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BU of 5dhj by Molmil
PIM1 in complex with Cpd4 (3-methyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine)
分子名称: 3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H.
登録日2015-08-31
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.457 Å)
主引用文献Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5DIA
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BU of 5dia by Molmil
PIM1 in complex with Cpd36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)cyclohexane-1,3-diamine)
分子名称: (1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H.
登録日2015-08-31
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.964 Å)
主引用文献Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5V80
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BU of 5v80 by Molmil
PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one)
分子名称: 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H.
登録日2017-03-21
公開日2018-04-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
8T51
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BU of 8t51 by Molmil
Crystal structure of Fab 3.10C2 bound to TREM2
分子名称: 3.10C2 Fab heavy chain, 3.10C2 Fab light chain, ACETATE ION, ...
著者Hsu, P.L, Wallweber, H.
登録日2023-06-12
公開日2024-06-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining.
Nat Commun, 15, 2024
5V82
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BU of 5v82 by Molmil
PIM1 kinase in complex with Cpd17 (1-(6-(4,4-difluoropiperidin-3-yl)pyridin-2-yl)-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine)
分子名称: 1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H.
登録日2017-03-21
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.888 Å)
主引用文献Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
3T6P
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BU of 3t6p by Molmil
IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization
分子名称: Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dueber, E.C, Schoeffler, A.J, Lingel, A, Elliott, M, Fedorova, A.V, Giannetti, A.M, Zobel, K, Maurer, B, Varfolomeev, E, Wu, P, Wallweber, H, Hymowitz, S, Deshayes, K, Vucic, D, Fairbrother, W.J.
登録日2011-07-28
公開日2011-11-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Antagonists induce a conformational change in cIAP1 that promotes autoubiquitination.
Science, 334, 2011

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件を2024-10-09に公開中

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