6HAX
 
 | | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | | Deposit date: | 2018-08-09 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
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7DHR
 | | Cryo-EM structure of the full agonist isoprenaline-bound beta2 adrenergic receptor-Gs protein complex. | | Descriptor: | Beta-2 adrenergic receptor, 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, ... | | Authors: | Yang, F, Ling, S.L, Zhou, Y.X, Zhang, Y.N, Lv, P, Liu, S.L, Fang, W, Sun, W.J, Hu, L.Y.A. | | Deposit date: | 2020-11-17 | | Release date: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Different Conformational Responses of the beta2-Adrenergic Receptor-Gs Complex upon Binding of the Partial Agonist Salbutamol or the Full Agonist Isoprenaline
Natl Sci Rev, 2020
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8TTW
 | | Cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with temsavir, 8ANC195, and 10-1074 | | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tolbert, W.D, Pozharski, E, Pazgier, M. | | Deposit date: | 2023-08-15 | | Release date: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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3LZJ
 | | RB69 DNA Polymerase (Y567A) ternary complex with dCTP Opposite 7,8-Dihydro-8-oxoguanine | | Descriptor: | CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... | | Authors: | Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H. | | Deposit date: | 2010-03-01 | | Release date: | 2010-05-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Substitution of Ala for Tyr567 in RB69 DNA polymerase allows dAMP to be inserted opposite 7,8-dihydro-8-oxoguanine .
Biochemistry, 49, 2010
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8G05
 | | Cryo-EM structure of an orphan GPCR-Gi protein signaling complex | | Descriptor: | 6-(octylamino)pyrimidine-2,4(3H,5H)-dione, CHOLESTEROL, G-protein coupled receptor 84, ... | | Authors: | Zhang, X, Wang, Y.J, Li, X, Liu, G.B, Gong, W.M, Zhang, C. | | Deposit date: | 2023-01-31 | | Release date: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Pro-phagocytic function and structural basis of GPR84 signaling.
Nat Commun, 14, 2023
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6DPD
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4B73
 | | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | | Descriptor: | (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3 | | Authors: | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | | Deposit date: | 2012-08-16 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
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4OGB
 | | Crystal structure of the catalytic domain of PDE4D2 with compound 2 | | Descriptor: | (2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Feil, S.C, Parker, M.W. | | Deposit date: | 2014-01-15 | | Release date: | 2015-01-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.032 Å) | | Cite: | The PDE inhibition profile of LY294002 and tetrahydropyranyl analogues reveals a chromone motif for the development of PDE inhibitors
To be Published
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7D1A
 | | cryo-EM structure of a group II intron RNP complexed with its reverse transcriptase | | Descriptor: | Group II intron-encoded protein LtrA, RNA (5'-R(P*CP*AP*CP*AP*UP*CP*CP*AP*UP*AP*AP*C)-3'), RNA (692-MER) | | Authors: | Liu, N, Dong, X.L, Hu, C.X, Zeng, J.W, Wang, J.W, Wang, J, Wang, H.W, Belfort, M. | | Deposit date: | 2020-09-14 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Exon and protein positioning in a pre-catalytic group II intron RNP primed for splicing.
Nucleic Acids Res., 48, 2020
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6D6W
 | | Bacteroides uniformis beta-glucuronidase 1 bound to glucuronate | | Descriptor: | Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Walton, W.G, Pellock, S.J, Redinbo, M.R. | | Deposit date: | 2018-04-23 | | Release date: | 2018-10-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
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4ASD
 | | Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with SORAFENIB (BAY 43-9006) | | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | | Authors: | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | | Deposit date: | 2012-04-30 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8AYS
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol | | Descriptor: | 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1 | | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2022-09-03 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
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6HQN
 | | Crystal structure of GcoA F169L bound to guaiacol | | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2018-09-25 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8AZ8
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol | | Descriptor: | 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1 | | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2022-09-05 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
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7UW9
 | | Citrus V-ATPase State 1, H in contact with subunit a | | Descriptor: | V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit AP1 fragment, V-type proton ATPase subunit AP2 fragment, ... | | Authors: | Keon, K.A, Abdelaziz, R.A, Schulze, W.X, Schumacher, K, Rubinstein, J.L. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of V-ATPase from citrus fruit.
Structure, 30, 2022
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2VCH
 | | Characterization and engineering of the bifunctional N- and O- glucosyltransferase involved in xenobiotic metabolism in plants | | Descriptor: | 1,2-ETHANEDIOL, HYDROQUINONE GLUCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | | Authors: | Brazier-Hicks, M, Offen, W.A, Gershater, M.C, Revett, T.J, Lim, E.K, Bowles, D.J, Davies, G.J, Edwards, R. | | Deposit date: | 2007-09-24 | | Release date: | 2007-10-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Characterization and Engineering of the Bifunctional N- and O-Glucosyltransferase Involved in Xenobiotic Metabolism in Plants.
Proc.Natl.Acad.Sci.USA, 104, 2007
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3MCB
 | | Crystal structure of NAC domains of human nascent polypeptide-associated complex (NAC) | | Descriptor: | IODIDE ION, Nascent polypeptide-associated complex subunit alpha, Transcription factor BTF3 | | Authors: | Wang, L.F, Zhang, W.C, Wang, L, Zhang, X.J.C, Li, X.M, Rao, Z. | | Deposit date: | 2010-03-29 | | Release date: | 2010-07-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of NAC domains of human nascent polypeptide-associated complex (NAC) and its alphaNAC subunit
Protein Cell, 1, 2010
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7UWA
 | | Citrus V-ATPase State 1, H in contact with subunits AB | | Descriptor: | V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit AP1 fragment, V-type proton ATPase subunit AP2 fragment, ... | | Authors: | Abdelaziz, R.A, Keon, K.A, Schulze, W.X, Schumacher, K, Rubinstein, J.L. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of V-ATPase from citrus fruit.
Structure, 30, 2022
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7UWB
 | | Citrus V-ATPase State 2, Highest-Resolution Class | | Descriptor: | V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit AP1 fragment, V-type proton ATPase subunit AP2 fragment, ... | | Authors: | Keon, K.A, Abdelaziz, R.A, Schulze, W.X, Schumacher, K, Rubinstein, J.L. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of V-ATPase from citrus fruit.
Structure, 30, 2022
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2VG9
 | | Crystal structure of Loop Swap mutant of Necallimastix patriciarum Xyn11A | | Descriptor: | ACETATE ION, BIFUNCTIONAL ENDO-1,4-BETA-XYLANASE A, CADMIUM ION | | Authors: | Vardakou, M, Dumon, C, Flint, J.E, Murray, J.W, Christakopoulos, P, Weiner, D.P, Juge, N, Lewis, R.J, Gilbert, H.J. | | Deposit date: | 2007-11-09 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Understanding the Structural Basis for Substrate and Inhibitor Recognition in Eukaryotic Gh11 Xylanases.
J.Mol.Biol., 375, 2008
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2VG8
 | | Characterization and engineering of the bifunctional N- and O- glucosyltransferase involved in xenobiotic metabolism in plants | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HYDROQUINONE GLUCOSYLTRANSFERASE, ... | | Authors: | Brazier-Hicks, M, Offen, W.A, Gershater, M.C, Revett, T.J, Lim, E.K, Bowles, D.J, Davies, G.J, Edwards, R. | | Deposit date: | 2007-11-09 | | Release date: | 2007-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization and Engineering of the Bifunctional N- and O-Glucosyltransferase Involved in Xenobiotic Metabolism in Plants.
Proc.Natl.Acad.Sci.USA, 104, 2007
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7CRR
 | | Native NSD3 bound to 187-bp nucleosome | | Descriptor: | DNA (168-MER), DNA(168-MER), Histone H2A, ... | | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | Deposit date: | 2020-08-14 | | Release date: | 2020-10-21 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7UTI
 | | ALTERNATIVE MODELING OF TROPOMYOSIN IN HUMAN CARDIAC THIN FILAMENT IN THE CALCIUM BOUND STATE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Rynkiewicz, M.J, Pavadai, E, Lehman, W. | | Deposit date: | 2022-04-27 | | Release date: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Protein-Protein Docking Reveals Dynamic Interactions of Tropomyosin on Actin Filaments.
Biophys J, 119, 2020
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7UWD
 | | Citrus V-ATPase State 2, H in contact with subunits AB | | Descriptor: | V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit, V-type proton ATPase subunit AP1 fragment, ... | | Authors: | Keon, K.A, Abdelaziz, R.A, Schulze, W.X, Schumacher, K, Rubinstein, J.L. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of V-ATPase from citrus fruit.
Structure, 30, 2022
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7CV0
 | | Crystal structure of B. halodurans NiaR in apo form | | Descriptor: | Transcriptional regulator NiaR, ZINC ION | | Authors: | Lee, J.Y, Lee, D.W, Park, Y.W, Lee, M.Y, Jeong, K.H. | | Deposit date: | 2020-08-25 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Structural analysis and insight into effector binding of the niacin-responsive repressor NiaR from Bacillus halodurans.
Sci Rep, 10, 2020
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