5EBK
 
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484D
 | | SOLUTION STRUCTURE OF HIV-1 REV PEPTIDE-RNA APTAMER COMPLEX | | Descriptor: | BASIC REV PEPTIDE, RNA APTAMER | | Authors: | Ye, X, Gorin, A.A, Frederick, R, Hu, W, Majumdar, A, Xu, W, Mclendon, G, Ellington, A, Patel, D.J. | | Deposit date: | 1999-08-02 | | Release date: | 1999-10-14 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | RNA architecture dictates the conformations of a bound peptide.
Chem.Biol., 6, 1999
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6TMM
 | | BIL2 domain from T.thermophila BUBL1 locus (C1A-N143A) | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Chiarini, V, Ilari, A. | | Deposit date: | 2019-12-04 | | Release date: | 2020-12-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Structural basis of ubiquitination mediated by protein splicing in early Eukarya.
Biochim Biophys Acta Gen Subj, 1865, 2021
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7C3N
 | | Crystal structure of JAK3 in complex with Delgocitinib | | Descriptor: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | | Authors: | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | | Deposit date: | 2020-05-13 | | Release date: | 2020-06-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020
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5XSV
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5XSX
 | | Crystal structure of an archaeal chitinase in the substrate-complex form (P212121) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, GLYCEROL, ... | | Authors: | Nishitani, Y, Miki, K. | | Deposit date: | 2017-06-15 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.642 Å) | | Cite: | Crystal structures of an archaeal chitinase ChiD and its ligand complexes.
Glycobiology, 28, 2018
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5Y95
 | | Haddock model of mSIN3B PAH1 domain | | Descriptor: | Paired amphipathic helix protein Sin3b, propan-2-yl (3R,6S,9aS)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate | | Authors: | Kurita, J, Hirao, Y, Nishimura, Y. | | Deposit date: | 2017-08-22 | | Release date: | 2017-10-04 | | Last modified: | 2025-03-12 | | Method: | SOLUTION NMR | | Cite: | A mimetic of the mSin3-binding helix of NRSF/REST ameliorates abnormal pain behavior in chronic pain models.
Bioorg. Med. Chem. Lett., 27, 2017
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4I4E
 | | Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound. | | Descriptor: | Focal adhesion kinase 1, [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone | | Authors: | Skene, R.J, Hosfield, D.J. | | Deposit date: | 2012-11-27 | | Release date: | 2013-03-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg.Med.Chem.Lett., 23, 2013
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4I4F
 | | Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding pyrazolobenzothiazine compound. | | Descriptor: | Focal adhesion kinase 1, ISOPROPYL ALCOHOL, N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide | | Authors: | Skene, R.J, Hosfield, D.J. | | Deposit date: | 2012-11-27 | | Release date: | 2013-02-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg.Med.Chem.Lett., 23, 2013
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8FVZ
 | | PiPT Y150A | | Descriptor: | CITRATE ANION, PHOSPHATE ION, Phosphate transporter | | Authors: | Gupta, M, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2023-01-20 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Roles of PiPT residues in phosphate binding and transport tested by mutagenesis
To be published
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8X7E
 | | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With JTE-151 | | Descriptor: | (4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | | Authors: | Akai, S, Nomura, A, Yamaguchi, K, Adachi, T. | | Deposit date: | 2023-11-24 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and SAR of JTE-151: A Novel ROR gamma Inhibitor for Clinical Development.
J.Med.Chem., 67, 2024
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6S74
 | | Crystal structure of CARM1 in complex with inhibitor UM305 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol, GLYCEROL, Histone-arginine methyltransferase CARM1 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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6Y0D
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6S71
 | | Crystal structure of CARM1 in complex with inhibitor WH5C | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.062 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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6S7B
 | | Crystal structure of CARM1 in complex with inhibitor UM249 | | Descriptor: | 1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine, Histone-arginine methyltransferase CARM1 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.659 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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6S70
 | | Crystal structure of CARM1 in complex with inhibitor UM251 | | Descriptor: | 1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine, GLYCEROL, Histone-arginine methyltransferase CARM1 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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6FTK
 | | Gp36-MPER | | Descriptor: | Envelope protein | | Authors: | D'Ursi, A.M, Grimaldi, M. | | Deposit date: | 2018-02-22 | | Release date: | 2019-03-20 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of the FIV gp36 C-Terminal Heptad Repeat and Membrane-Proximal External Region.
Int J Mol Sci, 21, 2020
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6S77
 | | Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183 | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid, Histone-arginine methyltransferase CARM1 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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6S7C
 | | Crystal structure of CARM1 in complex with inhibitor UM079 | | Descriptor: | 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine, Histone-arginine methyltransferase CARM1 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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6GQ3
 | | Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-OXO-L-NORLEUCINE, ... | | Authors: | Zhu, W, Radadiya, A, Bisson, C, Jin, Y, Nordin, B.E, Imasaki, T, Wenzel, S, Sedelnikova, S.E, Berry, A.H, Nomanbhoy, T.K, Kozarich, J.W, Takagi, Y, Rice, D.W, Richards, N.G.J. | | Deposit date: | 2018-06-07 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity.
Commun Biol, 2, 2019
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8T4A
 | | MD65 N332-GT5 SOSIP in complex with RM_N332_36 Fab and RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-05-08 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
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8T49
 | | MD65 N332-GT5 SOSIP in complex with RM_N332_03 Fab and RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-05-08 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
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8T4K
 | | MD64 N332-GT5 SOSIP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD64 N332-GT5 SOSIP gp120, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2023-06-09 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
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8T4L
 | | MD65 N332-GT5 SOSIP in complex with RM_N332_07 Fab and RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2023-06-09 | | Release date: | 2024-05-08 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
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8T4D
 | | MD65 N332-GT5 SOSIP in complex with RM_N332_08 Fab and RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2023-06-09 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
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