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3LD8
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BU of 3ld8 by Molmil
Structure of JMJD6 and Fab Fragments
Descriptor: Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ...
Authors:Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
Deposit date:2010-01-12
Release date:2010-08-04
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LDB
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BU of 3ldb by Molmil
Structure of JMJD6 complexd with ALPHA-KETOGLUTARATE and Fab Fragment.
Descriptor: 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, ...
Authors:Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
Deposit date:2010-01-12
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
7T0R
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BU of 7t0r by Molmil
Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ...
Authors:Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X.
Deposit date:2021-11-30
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
1NM7
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BU of 1nm7 by Molmil
Solution structure of the ScPex13p SH3 domain
Descriptor: Peroxisomal Membrane Protein PAS20
Authors:Pires, J.R, Hong, X, Brockmann, C, Volkmer-Engert, R, Schneider-Mergener, J, Oschkinat, H, Erdmann, R.
Deposit date:2003-01-09
Release date:2003-03-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The ScPex13p SH3 Domain Exposes Two Distinct Binding Sites for Pex5p and Pex14p
J.Mol.Biol., 326, 2003
3WYD
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BU of 3wyd by Molmil
C-terminal esterase domain of LC-Est1
Descriptor: LC-Est1C
Authors:Okano, H, Hong, X, Angkawidjaja, C, Kanaya, S.
Deposit date:2014-08-26
Release date:2014-11-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural and biochemical characterization of a metagenome-derived esterase with a long N-terminal extension.
Protein Sci., 24, 2015
3PYY
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BU of 3pyy by Molmil
Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site
Descriptor: (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ...
Authors:Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B.
Deposit date:2010-12-13
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
3O2D
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BU of 3o2d by Molmil
Crystal structure of HIV-1 primary receptor CD4 in complex with a potent antiviral antibody
Descriptor: T-cell surface glycoprotein CD4, ibalizumab heavy chain, ibalizumab light chain
Authors:Freeman, M.M, Seaman, M.S, Rits-Volloch, S, Hong, X, Ho, D.D, Chen, B.
Deposit date:2010-07-22
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of HIV-1 Primary Receptor CD4 in Complex with a Potent Antiviral Antibody.
Structure, 18, 2010
2GP5
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BU of 2gp5 by Molmil
Crystal structure of catalytic core domain of jmjd2A complexed with alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, Jumonji domain-containing protein 2A, ...
Authors:Chen, Z, Zang, J, Whetstine, J, Hong, X, Davrazou, F, Kutateladze, T.G, Simpson, M, Dai, S, Hagman, J, Shi, Y, Zhang, G.
Deposit date:2006-04-16
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural insights into histone demethylation by JMJD2 family members
Cell(Cambridge,Mass.), 125, 2006
2GP3
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BU of 2gp3 by Molmil
Crystal structure of the catalytic core domain of jmjd2a
Descriptor: FE (II) ION, Jumonji domain-containing protein 2A, ZINC ION
Authors:Chen, Z, Zang, J, Whetstine, J, Hong, X, Davrazou, F, Kutateladze, T.G, Simpson, M, Dai, S, Hagman, J, Shi, Y, Zhang, G.
Deposit date:2006-04-16
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into histone demethylation by JMJD2 family members
Cell(Cambridge,Mass.), 125, 2006
2P5B
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BU of 2p5b by Molmil
The complex structure of JMJD2A and trimethylated H3K36 peptide
Descriptor: FE (II) ION, Histone H3, JmjC domain-containing histone demethylation protein 3A, ...
Authors:Zhang, G, Chen, Z, Zang, J, Hong, X, Shi, Y.
Deposit date:2007-03-14
Release date:2007-06-12
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis of the recognition of a methylated histone tail by JMJD2A.
Proc.Natl.Acad.Sci.USA, 104, 2007
2PXJ
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BU of 2pxj by Molmil
The complex structure of JMJD2A and monomethylated H3K36 peptide
Descriptor: FE (II) ION, JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, ...
Authors:Chen, Z, Zang, J, Kappler, J, Hong, X, Crawford, F, Zhang, G.
Deposit date:2007-05-14
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the recognition of a methylated histone tail by JMJD2A
Proc.Natl.Acad.Sci.Usa, 104, 2007
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
Descriptor: Adnectin, BG505 SOSIP.664 gp140, T-cell surface glycoprotein CD4
Authors:Concha, N.O, William, S.P, Wenzel, D.L.
Deposit date:2021-11-30
Release date:2022-01-12
Method:ELECTRON MICROSCOPY (8.7 Å)
Cite:Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
1OQD
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BU of 1oqd by Molmil
Crystal structure of sTALL-1 and BCMA
Descriptor: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17
Authors:Zhang, G.
Deposit date:2003-03-07
Release date:2003-05-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C
Authors:Zhang, G.
Deposit date:2003-03-07
Release date:2003-05-13
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
3ZNR
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BU of 3znr by Molmil
HDAC7 bound with inhibitor TMP269
Descriptor: 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, ...
Authors:Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
3ZNS
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BU of 3zns by Molmil
HDAC7 bound with TFMO inhibitor tmp942
Descriptor: 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, ...
Authors:Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
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
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
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
Descriptor: 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, ...
Authors:campobasso, N.
Deposit date:2019-01-17
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6MEV
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BU of 6mev by Molmil
Structure of JMJD6 bound to Mono-Methyl Arginine.
Descriptor: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ...
Authors:Lee, S, Zhang, G.
Deposit date:2018-09-07
Release date:2019-09-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
4K5U
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BU of 4k5u by Molmil
Recognition of the BG-H Antigen by a Lamprey Variable Lymphocyte Receptor
Descriptor: Variable lymphocyte receptor, beta-D-galactopyranose
Authors:Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A.
Deposit date:2013-04-15
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
4K79
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BU of 4k79 by Molmil
Recognition of the Thomsen-Friedenreich Antigen by a Lamprey Variable Lymphocyte Receptor
Descriptor: Variable lymphocyte receptor, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A.
Deposit date:2013-04-16
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Gampe, R.T, Axten, J.M.
Deposit date:2012-07-13
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 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
Authors:Gampe, R.T, Axten, J.M.
Deposit date:2012-07-13
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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
7TUK
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BU of 7tuk by Molmil
Small hepatitis B virus surface protein without cytosolic and antigenic loops
Descriptor: SAg protein
Authors:Liu, H, Wang, J.C.Y.
Deposit date:2022-02-02
Release date:2022-08-24
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Cryo-EM structures of human hepatitis B and woodchuck hepatitis virus small spherical subviral particles.
Sci Adv, 8, 2022

 

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