3ZNS
 
 | | 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
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3ZNR
 | | 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
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7T0O
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8HZ5
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8HZ4
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6NPE
 | | 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
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6NPV
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6NPU
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1OQD
 | | 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
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1OQE
 | | 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
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4K79
 | | 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
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4K5U
 | | 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
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4G34
 | | 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
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4G31
 | | 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
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6MEV
 | | 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
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6BTN
 | | BMP1 complexed with a reverse hydroxymate - compound 1 | | Descriptor: | (3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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6BSM
 | | BMP1 complexed with a reverse hydroxamate - compound 4 | | Descriptor: | Bone morphogenetic protein 1, N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide, ZINC ION | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-04 | | Release date: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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6BTO
 | | 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 | | Descriptor: | (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, ... | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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6BTP
 | | BMP1 complexed with a hydroxamate | | Descriptor: | (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, ... | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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6BSL
 | | BMP1 complexed with a reverse hydroxymate - compound 22 | | Descriptor: | 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, ... | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-04 | | Release date: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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6BTQ
 | | BMP1 complexed with a hydroxamate - compound 2 | | Descriptor: | 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, ... | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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8FKM
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7TUK
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7TUL
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7DCX
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