4WAB
 
 | | Crystal structure of mPGES1 solved by native-SAD phasing | | Descriptor: | 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase | | Authors: | Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M. | | Deposit date: | 2014-08-29 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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4W63
 | | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Pesaresi, A, Samez, S, Lamba, D. | | Deposit date: | 2014-08-20 | | Release date: | 2015-09-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.
J.Med.Chem., 59, 2016
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7FJO
 | | Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with three T6 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, T6 heavy chain, ... | | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | | Deposit date: | 2021-08-04 | | Release date: | 2022-04-13 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
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7FJS
 | | Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ... | | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | | Deposit date: | 2021-08-04 | | Release date: | 2022-04-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
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7FJN
 | | Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ... | | Authors: | Wang, X, Zhang, L, Zhang, S, Liang, Q. | | Deposit date: | 2021-08-04 | | Release date: | 2022-04-27 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
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1D8F
 | | CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR. | | Descriptor: | CALCIUM ION, N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-4-BENZYLOXYCARBONYL-PIPERAZINE-2-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ... | | Authors: | Cheng, M.Y, De, B, Pikul, S, Almstead, N.G, Natchus, M.G, Anastasio, M.V, McPhail, S.J, Snider, C.E, Taiwo, Y.O, Chen, L.Y. | | Deposit date: | 1999-10-22 | | Release date: | 2000-10-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of piperazine-based matrix metalloproteinase inhibitors.
J.Med.Chem., 43, 2000
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9UDE
 | | Crystal structure of MonCI in complex with diepoxidized farnesyl acetate | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Xiao, H.L, Guan, Y.Z, Chen, X. | | Deposit date: | 2025-04-06 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Mechanistic and molecular insights into iterative triepoxidation catalyzed by monooxygenase MonCI using a natural substrate analog.
Int.J.Biol.Macromol., 311, 2025
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9UDB
 | | Crystal structure of MonCI in complex with farnesyl acetate | | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Deng, Y.M, Chen, X. | | Deposit date: | 2025-04-06 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic and molecular insights into iterative triepoxidation catalyzed by monooxygenase MonCI using a natural substrate analog.
Int.J.Biol.Macromol., 311, 2025
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9UDD
 | | Crystal structure of MonCI in complex with monoepoxidized farnesyl acetate | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Xiao, H.L, Guan, Y.Z, Chen, X. | | Deposit date: | 2025-04-06 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanistic and molecular insights into iterative triepoxidation catalyzed by monooxygenase MonCI using a natural substrate analog.
Int.J.Biol.Macromol., 311, 2025
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5V7J
 | | Crystal Structure at 3.7 A Resolution of Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer with Four Glycans (N197, N276, N362, and N462) removed in Complex with Neutralizing Antibodies 3H+109L and 35O22. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 35O22 Fab heavy chain, ... | | Authors: | Stewart-Jones, G.B.E, Zhou, T, Kwong, P.D. | | Deposit date: | 2017-03-20 | | Release date: | 2017-06-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.907 Å) | | Cite: | Quantification of the Impact of the HIV-1-Glycan Shield on Antibody Elicitation.
Cell Rep, 19, 2017
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6L6L
 | | Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements | | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*GP*TP*CP*AP*AP*AP*CP*TP*GP*TP*GP*AP*CP*CP*TP*AP*T)-3'), DNA (5'-D(P*TP*AP*TP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*TP*TP*GP*AP*CP*CP*TP*T)-3'), Nuclear receptor related 1, ... | | Authors: | Jiang, L, Chen, Y. | | Deposit date: | 2019-10-29 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Structural basis of binding of homodimers of the nuclear receptor NR4A2 to selective Nur-responsive DNA elements.
J.Biol.Chem., 294, 2019
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6L6Q
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6LBI
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6WJ5
 | | Structure of human TRPA1 in complex with inhibitor GDC-0334 | | Descriptor: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | | Authors: | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | | Deposit date: | 2020-04-11 | | Release date: | 2021-02-17 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
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6LHD
 | | Crystal structure of p53/BCL-xL fusion complex | | Descriptor: | ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53 | | Authors: | Wei, H, Chen, Y. | | Deposit date: | 2019-12-07 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021
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6L8L
 | | C-Src in complex with ibrutinib | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Guo, M, Dai, S, Chen, L, Chen, Y. | | Deposit date: | 2019-11-06 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.888 Å) | | Cite: | Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases.
Bioorg.Med.Chem.Lett., 34, 2020
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6LBM
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5XK6
 | | Structure of a prenyltransferase soaked with IPP | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, SULFATE ION, ... | | Authors: | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | | Deposit date: | 2017-05-05 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5XHS
 | | Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | | Descriptor: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... | | Authors: | Yu, Y, Li, B, Chen, Q. | | Deposit date: | 2017-04-24 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
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5XK3
 | | Crystal structure of apo form Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 | | Descriptor: | SULFATE ION, Undecaprenyl diphosphate synthase | | Authors: | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | | Deposit date: | 2017-05-05 | | Release date: | 2018-01-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6QBY
 | | Crystal structure of VASH 2 in complex with SVBP | | Descriptor: | Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 2 | | Authors: | Choi, S.R, Olieric, V, Steinmetz, M.O, Olieric, N. | | Deposit date: | 2018-12-24 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis of tubulin detyrosination by the vasohibin-SVBP enzyme complex.
Nat.Struct.Mol.Biol., 26, 2019
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4XHQ
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4X8X
 | | Crystal structure of Dscam1 isoform 1.9, N-terminal four Ig domains | | Descriptor: | Down Syndrome cell adhesion molecule isoform 1.9, GLYCEROL, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, Q. | | Deposit date: | 2014-12-11 | | Release date: | 2015-12-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition
Sci Adv, 2, 2016
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4X9H
 | | Crystal structure of Dscam1 isoform 8.4, N-terminal four Ig domains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Down syndrome cell adhesion molecule, isoform AP, ... | | Authors: | Chen, Q. | | Deposit date: | 2014-12-11 | | Release date: | 2015-12-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition
Sci Adv, 2, 2016
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7F7W
 | | JAK2-JH2 | | Descriptor: | 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Tyrosine-protein kinase JAK2 | | Authors: | Niu, L. | | Deposit date: | 2021-06-30 | | Release date: | 2022-03-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms.
Blood Cancer J, 12, 2022
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