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7JH6
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BU of 7jh6 by Molmil
De novo designed two-domain di-Zn(II) and porphyrin-binding protein
分子名称: NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ...
著者Schmidt, N, Liu, L, DeGrado, W.F.
登録日2020-07-20
公開日2020-12-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Allosteric cooperation in a de novo-designed two-domain protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
8BR7
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BU of 8br7 by Molmil
Discovery of IRAK4 Inhibitors BAY1834845 and BAY1830839
分子名称: 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide, Interleukin-1 receptor-associated kinase 4
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-11-22
公開日2024-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.119 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8BR5
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BU of 8br5 by Molmil
Discovery of IRAK4 Inhibitor 41
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-11-22
公開日2024-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8BR6
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BU of 8br6 by Molmil
Discovery of IRAK4 Inhibitor 40
分子名称: ACETATE ION, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wengner, A.M, Guimond, N, Thaler, T, Platzek, J, Ewerspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-11-22
公開日2024-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.167 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8ATL
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BU of 8atl by Molmil
Discovery of IRAK4 Inhibitor 23
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-08-23
公開日2023-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.464 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8ATN
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BU of 8atn by Molmil
Discovery of IRAK4 Inhibitor 38
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-08-23
公開日2023-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.171 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8ATB
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BU of 8atb by Molmil
Discovery of IRAK4 Inhibitor 16
分子名称: GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-08-22
公開日2023-11-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8ORY
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BU of 8ory by Molmil
Solution NMR structure of Notch1 L1740-1743 TMD
分子名称: Notch 1 extracellular truncation
著者Guschtschin-Schmidt, N, Muhle-Goll, C.
登録日2023-04-17
公開日2023-08-16
最終更新日2023-08-23
実験手法SOLUTION NMR
主引用文献Permissive Conformations of a Transmembrane Helix Allow Intramembrane Proteolysis by gamma-Secretase.
J.Mol.Biol., 435, 2023
8OS0
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BU of 8os0 by Molmil
Solution NMR structure of Notch3 WT TMD
分子名称: Notch 3 extracellular truncation
著者Guschtschin-Schmidt, N, Muhle-Goll, C.
登録日2023-04-17
公開日2023-08-16
最終更新日2023-08-23
実験手法SOLUTION NMR
主引用文献Permissive Conformations of a Transmembrane Helix Allow Intramembrane Proteolysis by gamma-Secretase.
J.Mol.Biol., 435, 2023
8ORZ
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BU of 8orz by Molmil
Solution NMR structure of Notch1 G1740-1743 TMD
分子名称: Notch 1 extracellular truncation
著者Guschtschin-Schmidt, N, Muhle-Goll, C.
登録日2023-04-17
公開日2023-08-16
最終更新日2023-08-23
実験手法SOLUTION NMR
主引用文献Permissive Conformations of a Transmembrane Helix Allow Intramembrane Proteolysis by gamma-Secretase.
J.Mol.Biol., 435, 2023
8OR5
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BU of 8or5 by Molmil
Solution NMR structure of Notch1 TMD
分子名称: Notch 1 extracellular truncation
著者Guschtschin-Schmidt, N, Muhle-Goll, C.
登録日2023-04-13
公開日2023-08-16
最終更新日2023-08-23
実験手法SOLUTION NMR
主引用文献Permissive Conformations of a Transmembrane Helix Allow Intramembrane Proteolysis by gamma-Secretase.
J.Mol.Biol., 435, 2023
7AT7
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BU of 7at7 by Molmil
Transmembrane helix of tumor necrosis factor alpha in trifluorethanol, S34P mutant
分子名称: Tumor necrosis factor
著者Guschtschin-Schmidt, N, Muhle-Goll, C.
登録日2020-10-29
公開日2020-12-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Non-canonical Shedding of TNF alpha by SPPL2a Is Determined by the Conformational Flexibility of Its Transmembrane Helix.
Iscience, 23, 2020
7ATB
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BU of 7atb by Molmil
Transmembrane helix of tumor necrosis factor alpha in trifluorethanol, AGALLL mutant
分子名称: Tumor necrosis factor
著者Guschtschin-Schmidt, N, Muhle-Goll, C.
登録日2020-10-29
公開日2020-12-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Non-canonical Shedding of TNF alpha by SPPL2a Is Determined by the Conformational Flexibility of Its Transmembrane Helix.
Iscience, 23, 2020
7ASY
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BU of 7asy by Molmil
Transmembrane helix of tumor necrosis factor alpha in trifluorethanol
分子名称: Tumor necrosis factor
著者Guschtschin-Schmidt, N, Muhle-Goll, C.
登録日2020-10-28
公開日2020-12-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Non-canonical Shedding of TNF alpha by SPPL2a Is Determined by the Conformational Flexibility of Its Transmembrane Helix.
Iscience, 23, 2020
6M3C
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BU of 6m3c by Molmil
hAPC-h1573 Fab complex
分子名称: Vitamin K-dependent protein C heavy chain, Vitamin K-dependent protein C light chain, h1573 Fab H chain, ...
著者Wang, X, Wang, D, Zhao, X, Egner, U.
登録日2020-03-03
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Targeted inhibition of activated protein C by a non-active-site inhibitory antibody to treat hemophilia.
Nat Commun, 11, 2020
6M3B
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BU of 6m3b by Molmil
hAPC-c25k23 Fab complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Vitamin K-dependent protein C heavy chain, Vitamin K-dependent protein C light chain, ...
著者Wang, X, Li, L, Zhao, X, Egner, U.
登録日2020-03-03
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeted inhibition of activated protein C by a non-active-site inhibitory antibody to treat hemophilia.
Nat Commun, 11, 2020
6QNN
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BU of 6qnn by Molmil
CLATHRIN HEAVY CHAIN N-TERMINAL DOMAIN BOUND TO GTSE1 LIDL MOTIF
分子名称: Clathrin heavy chain 1, G2 and S phase-expressed protein 1
著者Porfetye, A.T, Lin, Y, Vetter, I.R.
登録日2019-02-11
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Clathrin's adaptor interaction sites are repurposed to stabilize microtubules during mitosis.
J.Cell Biol., 219, 2020
6QNP
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BU of 6qnp by Molmil
CLATHRIN HEAVY CHAIN N-TERMINAL DOMAIN BOUND TO GTSE1 LIDL MOTIF
分子名称: Clathrin heavy chain 1, G2 and S phase-expressed protein 1
著者Porfetye, A.T, Lin, Y, Vetter, I.R.
登録日2019-02-11
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Clathrin's adaptor interaction sites are repurposed to stabilize microtubules during mitosis.
J.Cell Biol., 219, 2020
4JFN
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BU of 4jfn by Molmil
Crystal structure of the N-terminal, growth factor-like domain of the amyloid precursor protein bound to copper
分子名称: Amyloid beta A4 protein, COPPER (II) ION, GLYCEROL
著者Wild, K, Baumkotter, F, Kins, S.
登録日2013-02-28
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Amyloid precursor protein dimerization and synaptogenic function depend on copper binding to the growth factor-like domain
J.Neurosci., 34, 2014

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