7WRX
 
 | | Structure of Deinococcus radiodurans HerA-ADP complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HerA, MAGNESIUM ION | | Authors: | Cheng, K. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.40003562 Å) | | Cite: | Structural and DNA end resection study of the bacterial NurA-HerA complex.
Bmc Biol., 21, 2023
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7WRW
 | | Structure of Deinococcus radiodurans HerA | | Descriptor: | HerA | | Authors: | Cheng, K. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.00008273 Å) | | Cite: | Structural and DNA end resection study of the bacterial NurA-HerA complex.
Bmc Biol., 21, 2023
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6H1Q
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4TOY
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5X7U
 | | Trehalose synthase from Thermobaculum terrenum | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Trehalose synthase | | Authors: | Su, J, Wang, F. | | Deposit date: | 2017-02-27 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural Characteristics and Function of a New Kind of Thermostable Trehalose Synthase from Thermobaculum terrenum.
J. Agric. Food Chem., 65, 2017
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7V69
 | | Cryo-EM structure of a class A GPCR-G protein complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T. | | Deposit date: | 2021-08-20 | | Release date: | 2022-05-11 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
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7V6A
 | | Cry-EM structure of M4-c110-G protein complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T. | | Deposit date: | 2021-08-20 | | Release date: | 2022-05-11 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
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7V68
 | | An Agonist and PAM-bound Class A GPCR with Gi protein complex structure | | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, J.J, Wu, L.J, Wu, M, Hua, T, Liu, Z.J, Wang, T. | | Deposit date: | 2021-08-20 | | Release date: | 2022-05-11 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
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5I23
 | | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF022 | | Descriptor: | 1,2-ETHANEDIOL, 1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium, Oligosaccharide 4-alpha-D-glucosyltransferase, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2016-02-08 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
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6LVP
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5I24
 | | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF021 | | Descriptor: | (1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2016-02-08 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
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6S35
 | | LSD1/CoREST1 complex with macrocyclic peptide inhibitor | | Descriptor: | ALA-ARG-(D)LYS-MET-GLN-GLU-ALA-ARG-LYS-SER-THR, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | Authors: | Talibov, V.O, Dobritzsch, D. | | Deposit date: | 2019-06-24 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1.
Acs Omega, 5, 2020
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8SE6
 | | NKG2D complexed with inhibitor 36 | | Descriptor: | N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, TETRAETHYLENE GLYCOL, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2023-04-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
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8SE5
 | | NKG2D complexed with inhibitor 14 | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2023-04-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
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3K5V
 | | Structure of Abl kinase in complex with imatinib and GNF-2 | | Descriptor: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | | Deposit date: | 2009-10-08 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors.
Nature, 463, 2010
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5DFN
 | | Structure of Tetrahymena Telomerase P45 C-terminal domain | | Descriptor: | Telomerase associated protein p45 | | Authors: | Chan, H, Cascio, D, Sawaya, M.R, Feigon, J. | | Deposit date: | 2015-08-27 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.382 Å) | | Cite: | Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
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5DFM
 | | Structure of Tetrahymena telomerase p19 fused to MBP | | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Telomerase-associated protein 19, SULFATE ION, ... | | Authors: | Chan, H, Cascio, D, Sawaya, M.R, Feigon, J. | | Deposit date: | 2015-08-27 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
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8TGP
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5Y0A
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3ILQ
 | | Structure of mCD1d with bound glycolipid BbGL-2c from Borrelia burgdorferi | | Descriptor: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M. | | Deposit date: | 2009-08-07 | | Release date: | 2010-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3ILP
 | | Structure of mCD1d with bound glycolipid BbGL-2f from Borrelia burgdorferi | | Descriptor: | (2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M. | | Deposit date: | 2009-08-07 | | Release date: | 2010-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
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7UUU
 | | First bromodomain of BRDT liganded with compound 2c | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain testis-specific protein, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | | Authors: | Schonbrunn, E, Chan, A. | | Deposit date: | 2022-04-29 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains.
Arch Pharm, 355, 2022
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7UTY
 | | First bromodomain of BRD4 liganded with compound 2c | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | | Authors: | Schonbrunn, E, Chan, A. | | Deposit date: | 2022-04-28 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains.
Arch Pharm, 355, 2022
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5TUQ
 | | Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase | | Descriptor: | 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION | | Authors: | Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2016-11-07 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase.
Eur J Med Chem, 128, 2017
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5WPA
 | | Structure of human SFPQ/PSPC1 heterodimer | | Descriptor: | Paraspeckle component 1, Splicing factor, proline- and glutamine-rich | | Authors: | Lee, M. | | Deposit date: | 2017-08-04 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of a SFPQ/PSPC1 heterodimer provides insights into preferential heterodimerization of human DBHS family proteins.
J. Biol. Chem., 293, 2018
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