8HIJ
 
 | | The 5-MTHF-bound BRIL-SLC19A1/Fab/Nb ternary complex | | Descriptor: | Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ... | | Authors: | Zhang, Z, Dang, Y. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-21 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
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8WKT
 | | Cryo-EM structure of DSR2-DSAD1 complex | | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | | Authors: | Gao, A, Huang, J, Zhu, K. | | Deposit date: | 2023-09-28 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
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8WKX
 | | Cryo-EM structure of DSR2 | | Descriptor: | SIR2-like domain-containing protein | | Authors: | Gao, A, Huang, J, Zhu, K. | | Deposit date: | 2023-09-28 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.15 Å) | | Cite: | Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
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8WKS
 | | Cryo-EM structure of DSR2-TUBE complex | | Descriptor: | SIR2-like domain-containing protein, TUBE | | Authors: | Gao, A, Huang, J, Zhu, K. | | Deposit date: | 2023-09-28 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
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8W9W
 | | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide/phosphoethanolamine | | Descriptor: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1, ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide | | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | | Deposit date: | 2023-09-06 | | Release date: | 2024-02-28 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 31, 2024
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8W9Y
 | | The cryo-EM structure of human sphingomyelin synthase-related protein | | Descriptor: | Sphingomyelin synthase-related protein 1 | | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | | Deposit date: | 2023-09-06 | | Release date: | 2024-02-28 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 31, 2024
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3W3C
 | | Crystal structure of VirB core domain complexed with the cis-acting site upstream icsb promoter | | Descriptor: | DNA (26-MER), Virulence regulon transcriptional activator VirB | | Authors: | Gao, X.P, Waltersperger, S, Wang, M.T, Cui, S. | | Deposit date: | 2012-12-19 | | Release date: | 2013-09-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.431 Å) | | Cite: | Structural insights into VirB-DNA complexes reveal mechanism of transcriptional activation of virulence genes
Nucleic Acids Res., 41, 2013
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3E5A
 | | Crystal structure of Aurora A in complex with VX-680 and TPX2 | | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SULFATE ION, Serine/threonine-protein kinase 6, ... | | Authors: | Zhao, B, Smallwood, A, Lai, Z. | | Deposit date: | 2008-08-13 | | Release date: | 2008-10-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Modulation of kinase-inhibitor interactions by auxiliary protein binding: crystallography studies on Aurora A interactions with VX-680 and with TPX2.
Protein Sci., 17, 2008
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1PSJ
 | | ACIDIC PHOSPHOLIPASE A2 FROM AGKISTRODON HALYS PALLAS | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Wang, X.Q, Lin, Z.J. | | Deposit date: | 1995-05-24 | | Release date: | 1996-07-11 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of an acidic phospholipase A2 from the venom of Agkistrodon halys pallas at 2.0 A resolution.
J.Mol.Biol., 255, 1996
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2KQB
 | | First PBZ domain of human APLF protein | | Descriptor: | Aprataxin and PNK-like factor, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | | Deposit date: | 2009-11-04 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
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2KQC
 | | Second PBZ domain of human APLF protein | | Descriptor: | Aprataxin and PNK-like factor, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | | Deposit date: | 2009-11-04 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
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2KQE
 | | Second PBZ domain of human APLF protein in complex with ribofuranosyladenosine | | Descriptor: | ADENOSINE, Aprataxin and PNK-like factor, ZINC ION, ... | | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | | Deposit date: | 2009-11-04 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
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4ZHQ
 | | Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, Y, Zhang, R. | | Deposit date: | 2015-04-26 | | Release date: | 2016-07-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
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4ZI7
 | | CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, Y, Zhang, R. | | Deposit date: | 2015-04-27 | | Release date: | 2016-07-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
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4IVB
 | | JAK1 kinase (JH1 domain) in complex with the inhibitor TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE | | Descriptor: | Tyrosine-protein kinase JAK1, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | | Authors: | Eigenbrot, C, Steffek, M. | | Deposit date: | 2013-01-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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5JYC
 | | Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 14,15-EET hydrolysis intermediate | | Descriptor: | (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid, CFTR inhibitory factor | | Authors: | Hvorecny, K.L, Madden, D.R. | | Deposit date: | 2016-05-13 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pseudomonas aeruginosa sabotages the generation of host proresolving lipid mediators.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4ZOL
 | | Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex | | Descriptor: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Zhang, R. | | Deposit date: | 2015-05-06 | | Release date: | 2016-07-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
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4GMB
 | | Crystal structure of human WD repeat domain 5 with compound MM-402 | | Descriptor: | MM-402, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
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6JBR
 | | Tps1/UDP/T6P complex | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE | | Authors: | Wang, S, Zhao, Y, Wang, D, Liu, J. | | Deposit date: | 2019-01-26 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
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4IVD
 | | JAK1 kinase (JH1 domain) in complex with compound 34 | | Descriptor: | 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1 | | Authors: | Eigenbrot, C, Steffek, M. | | Deposit date: | 2013-01-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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6IR8
 | | Rice WRKY/DNA complex | | Descriptor: | DNA (5'-D(P*GP*AP*TP*AP*TP*TP*TP*GP*AP*CP*CP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*GP*GP*TP*CP*AP*AP*AP*TP*AP*TP*C)-3'), OsWRKY45, ... | | Authors: | Liu, J, Cheng, X, Wang, D. | | Deposit date: | 2018-11-12 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of dimerization and dual W-box DNA recognition by rice WRKY domain.
Nucleic Acids Res., 47, 2019
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4I6L
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7KPT
 | | Crystal structure of CtdE in complex with FAD and substrate 4 | | Descriptor: | (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Zhao, B, Hu, L. | | Deposit date: | 2020-11-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
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7KPQ
 | | Crystal structure of CtdE in complex with FAD | | Descriptor: | FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Zhao, B, Hu, L. | | Deposit date: | 2020-11-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
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4IVA
 | | JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | | Descriptor: | Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2013-01-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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