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PDB: 44 件
6DRE
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ADP-ribosyltransferase toxin/immunity pair
分子名称: ADP-ribosyl-(Dinitrogen reductase) hydrolase, MAGNESIUM ION, PAAR repeat-containing protein
著者Bosch, D.E, Ting, S, Allaire, M, Mougous, J.D.
登録日2018-06-11
公開日2018-10-31
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bifunctional Immunity Proteins Protect Bacteria against FtsZ-Targeting ADP-Ribosylating Toxins.
Cell, 175, 2018
7ZYN
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BU of 7zyn by Molmil
Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
著者Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D.
登録日2022-05-25
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
7ZYP
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Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
著者Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D.
登録日2022-05-25
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
7ZYM
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BU of 7zym by Molmil
Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib
分子名称: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor
著者Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D.
登録日2022-05-25
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
8PQC
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BU of 8pqc by Molmil
c-KIT kinase domain in complex with avapritinib derivative 9
分子名称: (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit
著者Teuber, A, Kleinboelting, S.B, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQH
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PDGFRA T674I mutant kinase domain in complex with avapritinib
分子名称: (1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha
著者Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQI
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PDGFRA T674I mutant kinase domain in complex with avapritinib derivative 9
分子名称: (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha
著者Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQ9
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c-KIT kinase domain in complex with avapritinib
分子名称: (1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit, SULFATE ION
著者Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
6E4H
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BU of 6e4h by Molmil
Solution NMR Structure of the Colied-coil PALB2 Homodimer
分子名称: Partner and localizer of BRCA2
著者Song, F, Li, M, Liu, G, Swapna, G.V.T, Xia, B, Bunting, S.F, Montelione, G.T.
登録日2018-07-17
公開日2018-10-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Antiparallel Coiled-Coil Interactions Mediate the Homodimerization of the DNA Damage-Repair Protein PALB2.
Biochemistry, 57, 2018
7K3S
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BU of 7k3s by Molmil
Solution NMR Structure of the Coiled-coil BRCA1-PALB2 Heterodimer
分子名称: Breast cancer type 1 susceptibility protein homolog, Partner and localizer of BRCA2
著者Daigham, N.S, Liu, G, Bunting, S.F, Montelione, G.T.
登録日2020-09-13
公開日2021-09-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Structural Basis for Interactions Between PALB2 and BRCA1 that Mediate the Homologous Recombination DNA Damage Repair Process
To Be Published
3LB9
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BU of 3lb9 by Molmil
Crystal structure of the B. circulans cpA123 circular permutant
分子名称: Endo-1,4-beta-xylanase
著者D'Angelo, I, Reitinger, S, Ludwiczek, M, Strynadka, N, Withers, S.G, Mcintosh, L.P.
登録日2010-01-08
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Circular permutation of Bacillus circulans xylanase: a kinetic and structural study.
Biochemistry, 49, 2010
6UQR
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BU of 6uqr by Molmil
Complex of IgE and Ligelizumab
分子名称: IgE, Ligelizumab, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Tarchevskaya, S.S, Kleinboelting, S, Jardetzky, T.S.
登録日2019-10-21
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.6502912 Å)
主引用文献The mechanistic and functional profile of the therapeutic anti-IgE antibody ligelizumab differs from omalizumab.
Nat Commun, 11, 2020
7SHU
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BU of 7shu by Molmil
IgE-Fc in complex with omalizumab variant C02
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant epsilon, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-11
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SHZ
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BU of 7shz by Molmil
IgE-Fc in complex with HAE
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-11
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SHY
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BU of 7shy by Molmil
IgE-Fc in complex with omalizumab scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IgE Fc, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-11
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SI0
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BU of 7si0 by Molmil
IgE-Fc in complex with 813
分子名称: 813 Variable fragment Heavy chain, 813 Variable fragment Light chain, IgE Fc, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-12
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
5AHW
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BU of 5ahw by Molmil
Crystal structure of universal stress protein MSMEG_3811 in complex with cAMP
分子名称: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, ...
著者Adolph, R.S, Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2015-02-10
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Universal Stress Protein (Usp) in Mycobacteria Binds Camp
J.Biol.Chem., 290, 2015
1YGC
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BU of 1ygc by Molmil
Short Factor VIIa with a small molecule inhibitor
分子名称: (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ...
著者Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D.
登録日2005-01-04
公開日2005-01-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo.
J.Biol.Chem., 280, 2005
2BW2
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BofC from Bacillus subtilis
分子名称: BYPASS OF FORESPORE C
著者Patterson, H.M, Brannigan, J.A, Cutting, S.M, Wilson, K.S, Wilkinson, A.J, Ab, E, Diercks, T, Folkers, G.E, de Jong, R.N, Truffault, V, Kaptein, R.
登録日2005-07-08
公開日2005-09-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structure of bypass of forespore C, an intercompartmental signaling factor during sporulation in Bacillus.
J. Biol. Chem., 280, 2005
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