6IV9
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![BU of 6iv9 by Molmil](/molmil-images/mine/6iv9) | the Cas13d binary complex | Descriptor: | Cas13d, MAGNESIUM ION, crRNA (50-MER) | Authors: | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | Deposit date: | 2018-12-02 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d. Nat Commun, 10, 2019
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8G8C
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![BU of 8g8c by Molmil](/molmil-images/mine/8g8c) | Crystal structure of DH1322.1 Fab in complex with HIV proximal MPER peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1322.1 heavy chain, DH1322.1 light chain, ... | Authors: | Niyongabo, A, Janus, B.M, Ofek, G. | Deposit date: | 2023-02-17 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
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8HDS
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![BU of 8hds by Molmil](/molmil-images/mine/8hds) | Cyanophage Pam3 portal-adaptor | Descriptor: | Pam3 adaptor protein, Pam3 portal protein | Authors: | Yang, F, Jiang, Y.L, Zhou, C.Z. | Deposit date: | 2022-11-06 | Release date: | 2023-01-18 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Fine structure and assembly pattern of a minimal myophage Pam3. Proc.Natl.Acad.Sci.USA, 120, 2023
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8HAW
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![BU of 8haw by Molmil](/molmil-images/mine/8haw) | An auto-activation mechanism of plant non-specific phospholipase C | Descriptor: | CALCIUM ION, GLYCEROL, Non-specific phospholipase C4, ... | Authors: | Zhao, F, Fan, R.Y, Guan, Z.Y, Guo, L, Yin, P. | Deposit date: | 2022-10-26 | Release date: | 2023-01-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into the mechanism of phospholipid hydrolysis by plant non-specific phospholipase C. Nat Commun, 14, 2023
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4ZS3
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![BU of 4zs3 by Molmil](/molmil-images/mine/4zs3) | Structural complex of 5-aminofluorescein bound to the FTO protein | Descriptor: | 2-OXOGLUTARIC ACID, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | Authors: | Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X. | Deposit date: | 2015-05-13 | Release date: | 2015-11-04 | Last modified: | 2015-11-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein J.Am.Chem.Soc., 137, 2015
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8HDT
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![BU of 8hdt by Molmil](/molmil-images/mine/8hdt) | |
8HDW
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![BU of 8hdw by Molmil](/molmil-images/mine/8hdw) | Cyanophage Pam3 Sheath-tube | Descriptor: | Pam3 sheath protein, pam3 tube | Authors: | Yang, F, Jiang, Y.L, Zhou, C.Z. | Deposit date: | 2022-11-06 | Release date: | 2023-01-18 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Fine structure and assembly pattern of a minimal myophage Pam3. Proc.Natl.Acad.Sci.USA, 120, 2023
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8HAV
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![BU of 8hav by Molmil](/molmil-images/mine/8hav) | An auto-activation mechanism of plant non-specific phospholipase C | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-specific phospholipase C4 | Authors: | Zhao, F, Fan, R.Y, Guan, Z.Y, Guo, L, Yin, P. | Deposit date: | 2022-10-26 | Release date: | 2023-01-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into the mechanism of phospholipid hydrolysis by plant non-specific phospholipase C. Nat Commun, 14, 2023
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8HDR
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![BU of 8hdr by Molmil](/molmil-images/mine/8hdr) | Cyanophage Pam3 neck | Descriptor: | Pam3 adaptor protein, Pam3 connector protein, Pam3 sheath protein, ... | Authors: | Yang, F, Jiang, Y.L, Zhou, C.Z. | Deposit date: | 2022-11-06 | Release date: | 2023-02-01 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Fine structure and assembly pattern of a minimal myophage Pam3. Proc.Natl.Acad.Sci.USA, 120, 2023
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6LNL
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![BU of 6lnl by Molmil](/molmil-images/mine/6lnl) | ASFV core shell protein p15 | Descriptor: | 60 kDa polyprotein | Authors: | Guo, F, Shi, Y, Peng, G. | Deposit date: | 2019-12-30 | Release date: | 2020-12-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9286 Å) | Cite: | The structural basis of African swine fever virus core shell protein p15 binding to DNA. Faseb J., 35, 2021
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4QDJ
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![BU of 4qdj by Molmil](/molmil-images/mine/4qdj) | |
4QDK
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8HJ5
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![BU of 8hj5 by Molmil](/molmil-images/mine/8hj5) | Cryo-EM structure of Gq-coupled MRGPRX1 bound with Compound-16 | 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(q) subunit alpha, ... | Authors: | Gan, B, Yu, L.Y, Ren, R.B. | Deposit date: | 2022-11-22 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of agonist-induced activation of the human itch receptor MRGPRX1. Plos Biol., 21, 2023
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6IV8
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![BU of 6iv8 by Molmil](/molmil-images/mine/6iv8) | the selenomethionine(SeMet)-derived Cas13d binary complex | Descriptor: | MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ... | Authors: | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | Deposit date: | 2018-12-02 | Release date: | 2019-06-19 | Last modified: | 2019-06-26 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d. Nat Commun, 10, 2019
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4HHY
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![BU of 4hhy by Molmil](/molmil-images/mine/4hhy) | Crystal structure of PARP catalytic domain in complex with novel inhibitors | Descriptor: | (9aR)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one, DI(HYDROXYETHYL)ETHER, Poly [ADP-ribose] polymerase 1, ... | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-10-10 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3637 Å) | Cite: | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors. J.Med.Chem., 56, 2013
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4HHZ
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![BU of 4hhz by Molmil](/molmil-images/mine/4hhz) | Crystal structure of PARP catalytic domain in complex with novel inhibitors | Descriptor: | N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-10-10 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7199 Å) | Cite: | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors. J.Med.Chem., 56, 2013
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8HLK
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![BU of 8hlk by Molmil](/molmil-images/mine/8hlk) | Structure of McyB-C1A1 complexed with L-Leu and AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, LEUCINE, Microcystin synthetase B (Fragment) | Authors: | Peng, Y.J. | Deposit date: | 2022-11-30 | Release date: | 2023-12-13 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Modular catalytic activity of nonribosomal peptide synthetases depends on the dynamic interaction between adenylation and condensation domains. Structure, 32, 2024
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6SJV
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![BU of 6sjv by Molmil](/molmil-images/mine/6sjv) | Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif | Descriptor: | Maltodextrin-binding protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G. | Deposit date: | 2019-08-14 | Release date: | 2019-09-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | Cellular target recognition by HPV18 and HPV49 oncoproteins To be published
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1OIY
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![BU of 1oiy by Molmil](/molmil-images/mine/1oiy) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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6B88
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![BU of 6b88 by Molmil](/molmil-images/mine/6b88) | E. coli LepB in complex with GNE0775 ((4S,7S,10S)-10-((S)-4-amino-2-(2-(4-(tert-butyl)phenyl)-4-methylpyrimidine-5-carboxamido)-N-methylbutanamido)-16,26-bis(2-aminoethoxy)-N-(2-iminoethyl)-7-methyl-6,9-dioxo-5,8-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-carboxamide) | Descriptor: | (8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide, PENTAETHYLENE GLYCOL, Signal peptidase I | Authors: | Murray, J.M, Rouge, L. | Deposit date: | 2017-10-05 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.407 Å) | Cite: | Optimized arylomycins are a new class of Gram-negative antibiotics. Nature, 561, 2018
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1OI9
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![BU of 1oi9 by Molmil](/molmil-images/mine/1oi9) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-10 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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4RFM
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![BU of 4rfm by Molmil](/molmil-images/mine/4rfm) | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | Descriptor: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | Deposit date: | 2014-09-26 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. J.Med.Chem., 58, 2015
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4I5X
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![BU of 4i5x by Molmil](/molmil-images/mine/4i5x) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y. | Deposit date: | 2012-11-29 | Release date: | 2013-10-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111) Febs Lett., 587, 2013
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1OIU
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![BU of 1oiu by Molmil](/molmil-images/mine/1oiu) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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6J76
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![BU of 6j76 by Molmil](/molmil-images/mine/6j76) | Structure of 3,6-anhydro-L-galactose Dehydrogenase in Complex with NAP | Descriptor: | Aldehyde dehydrogenase A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, P.Y, Wang, Y, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2019-01-17 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.368 Å) | Cite: | 3,6-Anhydro-L-Galactose Dehydrogenase VvAHGD is a Member of a New Aldehyde Dehydrogenase Family and Catalyzes by a Novel Mechanism with Conformational Switch of Two Catalytic Residues Cysteine 282 and Glutamate 248. J.Mol.Biol., 432, 2020
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