5CQT
 
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-22 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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5CRZ
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-23 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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6J6M
 | | Co-crystal structure of BTK kinase domain with Zanubrutinib | | Descriptor: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | | Authors: | Zhou, X, Hong, Y. | | Deposit date: | 2019-01-15 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
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3VAX
 | | Crystal structure of DndA from streptomyces lividans | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Putative uncharacterized protein dndA | | Authors: | Zhang, Z, Chen, F, Lin, K, Wu, G. | | Deposit date: | 2011-12-30 | | Release date: | 2013-01-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the cysteine desulfurase DndA from Streptomyces lividans which is involved in DNA phosphorothioation
Plos One, 7, 2012
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2V59
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2V58
 | | CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1 | | Descriptor: | 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION | | Authors: | Mochalkin, I, Miller, J.R. | | Deposit date: | 2008-10-02 | | Release date: | 2009-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2V5A
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7L0R
 | | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, noncanonical state, without AHD | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | | Deposit date: | 2020-12-12 | | Release date: | 2021-01-06 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
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7L0P
 | | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, without AHD | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | | Deposit date: | 2020-12-12 | | Release date: | 2021-01-06 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
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7L0S
 | | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, noncanonical state, with AHD | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | | Deposit date: | 2020-12-12 | | Release date: | 2021-01-06 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
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7L0Q
 | | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, with AHD | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | | Deposit date: | 2020-12-12 | | Release date: | 2021-01-06 | | Last modified: | 2021-03-31 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
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3CYO
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3CP1
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4OEW
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Chen, T.T, Ren, J, Xu, Y.C. | | Deposit date: | 2014-01-14 | | Release date: | 2015-04-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
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4OEX
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Chen, T.T, Ren, J, Xu, Y.C. | | Deposit date: | 2014-01-14 | | Release date: | 2015-04-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
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4KQE
 | | The mutant structure of the human glycyl-tRNA synthetase E71G | | Descriptor: | GLYCEROL, Glycine--tRNA ligase | | Authors: | Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W. | | Deposit date: | 2013-05-15 | | Release date: | 2014-05-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.739 Å) | | Cite: | Large Conformational Changes of Insertion 3 in Human Glycyl-tRNA Synthetase (hGlyRS) during Catalysis
J.Biol.Chem., 291, 2016
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4LVG
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4M6Q
 | | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-08-10 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4M6P
 | | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-08-10 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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8GU4
 | | Poly(ethylene terephthalate) hydrolase (IsPETase)-linker | | Descriptor: | Poly(ethylene terephthalate) hydrolase | | Authors: | Xiao, Y.J, Wang, Z.F. | | Deposit date: | 2022-09-09 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
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8GU5
 | | Wild type poly(ethylene terephthalate) hydrolase | | Descriptor: | Poly(ethylene terephthalate) hydrolase | | Authors: | Xiao, Y.J, Wang, Z.F. | | Deposit date: | 2022-09-09 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
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5WXH
 | | Crystal structure of TAF3 PHD finger bound to H3K4me3 | | Descriptor: | Histone H3K4me3, Transcription initiation factor TFIID subunit 3, ZINC ION | | Authors: | Zhao, S, Huang, J, Li, H. | | Deposit date: | 2017-01-07 | | Release date: | 2017-08-16 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (1.297 Å) | | Cite: | Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WXG
 | | Structure of TAF PHD finger domain binds to H3(1-15)K4ac | | Descriptor: | Histone H3K4ac, MAGNESIUM ION, Transcription initiation factor TFIID subunit 3, ... | | Authors: | Zhao, S, Li, H. | | Deposit date: | 2017-01-07 | | Release date: | 2017-08-16 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5CQR
 | | Dimerization of Elp1 is essential for Elongator complex assembly | | Descriptor: | Elongator complex protein 1 | | Authors: | Lin, Z, Xu, H, Li, F, Diao, W, Long, J, Shen, Y. | | Deposit date: | 2015-07-22 | | Release date: | 2015-08-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.015 Å) | | Cite: | Dimerization of elongator protein 1 is essential for Elongator complex assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5CQS
 | | Dimerization of Elp1 is essential for Elongator complex assembly | | Descriptor: | Elongator complex protein 1 | | Authors: | Lin, Z, Xu, H, Li, F, Diao, W, Long, J, Shen, Y. | | Deposit date: | 2015-07-22 | | Release date: | 2015-08-19 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Dimerization of elongator protein 1 is essential for Elongator complex assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
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