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3ZNS
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BU of 3zns by Molmil
HDAC7 bound with TFMO inhibitor tmp942
分子名称: HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
著者Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
登録日2013-02-15
公開日2013-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
3ZNR
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BU of 3znr by Molmil
HDAC7 bound with inhibitor TMP269
分子名称: HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
著者Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m.
登録日2013-02-15
公開日2013-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
7T0O
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BU of 7t0o by Molmil
cryoEM reconstruction of the HIV gp140 in complex with the extracellular domains of CD4 and the adnectin domain of Combinectin. The gp140 and CD4 coordinates from entry 6EDU were rigid body fitted to the EM map along withe the crystal structure of CD4+adnectin
分子名称: Adnectin, BG505 SOSIP.664 gp140, T-cell surface glycoprotein CD4
著者Concha, N.O, William, S.P, Wenzel, D.L.
登録日2021-11-30
公開日2022-01-12
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
8HZ5
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BU of 8hz5 by Molmil
The homodimer of a biotin carboxylase isoform from chloroflexus aurantiacus
分子名称: Biotin carboxylase
著者Shen, J, Wu, W, Xu, X.
登録日2023-01-08
公開日2024-01-10
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Chloroflexus aurantiacus acetyl-CoA carboxylase evolves fused biotin carboxylase and biotin carboxyl carrier protein to complete carboxylation activity.
Mbio, 15, 2024
8HZ4
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BU of 8hz4 by Molmil
The tetrameric structure of biotin carboxylase from Chloroflexus aurantiacus in complex with bicarbonate
分子名称: Biotin carboxylase
著者Shen, J, Wu, W, Xu, X.
登録日2023-01-08
公開日2024-01-10
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Chloroflexus aurantiacus acetyl-CoA carboxylase evolves fused biotin carboxylase and biotin carboxyl carrier protein to complete carboxylation activity.
Mbio, 15, 2024
6NPE
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BU of 6npe by Molmil
C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide
分子名称: 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ...
著者campobasso, N.
登録日2019-01-17
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPV
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BU of 6npv by Molmil
C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
1OQD
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BU of 1oqd by Molmil
Crystal structure of sTALL-1 and BCMA
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
1OQE
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BU of 1oqe by Molmil
Crystal structure of sTALL-1 with BAFF-R
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
4K79
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BU of 4k79 by Molmil
Recognition of the Thomsen-Friedenreich Antigen by a Lamprey Variable Lymphocyte Receptor
分子名称: Variable lymphocyte receptor, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
著者Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A.
登録日2013-04-16
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
4K5U
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BU of 4k5u by Molmil
Recognition of the BG-H Antigen by a Lamprey Variable Lymphocyte Receptor
分子名称: Variable lymphocyte receptor, beta-D-galactopyranose
著者Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A.
登録日2013-04-15
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
4G34
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BU of 4g34 by Molmil
Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution
分子名称: 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3
著者Gampe, R.T, Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
4G31
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BU of 4g31 by Molmil
Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution
分子名称: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL
著者Gampe, R.T, Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
6MEV
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BU of 6mev by Molmil
Structure of JMJD6 bound to Mono-Methyl Arginine.
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ...
著者Lee, S, Zhang, G.
登録日2018-09-07
公開日2019-09-18
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
6BTN
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BU of 6btn by Molmil
BMP1 complexed with a reverse hydroxymate - compound 1
分子名称: (3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ...
著者Gampe, R, Shewchuk, L.
登録日2017-12-07
公開日2018-08-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
6BSM
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BU of 6bsm by Molmil
BMP1 complexed with a reverse hydroxamate - compound 4
分子名称: Bone morphogenetic protein 1, N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide, ZINC ION
著者Gampe, R, Shewchuk, L.
登録日2017-12-04
公開日2018-08-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
6BTO
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BU of 6bto by Molmil
BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid
分子名称: (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ...
著者Gampe, R, Shewchuk, L.
登録日2017-12-07
公開日2018-08-08
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
6BTP
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BU of 6btp by Molmil
BMP1 complexed with a hydroxamate
分子名称: (1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-N-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide, Bone morphogenetic protein 1, THIOCYANATE ION, ...
著者Gampe, R, Shewchuk, L.
登録日2017-12-07
公開日2018-08-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
6BSL
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BU of 6bsl by Molmil
BMP1 complexed with a reverse hydroxymate - compound 22
分子名称: 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid, ...
著者Gampe, R, Shewchuk, L.
登録日2017-12-04
公開日2018-08-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
6BTQ
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BU of 6btq by Molmil
BMP1 complexed with a hydroxamate - compound 2
分子名称: 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-D-alaninamide, ...
著者Gampe, R, Shewchuk, L.
登録日2017-12-07
公開日2018-08-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
8FKM
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BU of 8fkm by Molmil
Human Atg3 with deletions of residues 1 to 25 and 90 to 190
分子名称: Ubiquitin-like-conjugating enzyme ATG3
著者Ye, Y.S, Tian, F.
登録日2022-12-21
公開日2023-09-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Multifaceted membrane interactions of human Atg3 promote LC3-phosphatidylethanolamine conjugation during autophagy.
Nat Commun, 14, 2023
7TUK
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BU of 7tuk by Molmil
Small hepatitis B virus surface protein without cytosolic and antigenic loops
分子名称: SAg protein
著者Liu, H, Wang, J.C.Y.
登録日2022-02-02
公開日2022-08-24
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Cryo-EM structures of human hepatitis B and woodchuck hepatitis virus small spherical subviral particles.
Sci Adv, 8, 2022
7TUL
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BU of 7tul by Molmil
Woodchuck hepatitis small surface protein without cytosolic and antigenic loops
分子名称: Large envelope protein
著者Liu, H, Wang, J.C.Y.
登録日2022-02-02
公開日2022-08-24
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献Cryo-EM structures of human hepatitis B and woodchuck hepatitis virus small spherical subviral particles.
Sci Adv, 8, 2022
7DCX
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BU of 7dcx by Molmil
S-3C1-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 3C1 fab.
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab that binds with the up RBD, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-27
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021

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