7NRL
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![BU of 7nrl by Molmil](/molmil-images/mine/7nrl) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032 | Descriptor: | 14-3-3 protein sigma, 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-04 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7NSV
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![BU of 7nsv by Molmil](/molmil-images/mine/7nsv) | 14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046 | Descriptor: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, GLYCEROL, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7KDE
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7DXP
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![BU of 7dxp by Molmil](/molmil-images/mine/7dxp) | Influenza H5N1 nucleoprotein in complex with nucleotides | Descriptor: | 1,2-ETHANEDIOL, Nucleoprotein, RNA (5'-R(P*(OMU)P*(OMU)P*(OMU)P*(OMU))-3') | Authors: | Tang, Y.S, Xu, S, Chen, Y.W, Wang, J.H, Shaw, P.C. | Deposit date: | 2021-01-19 | Release date: | 2021-04-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of influenza nucleoprotein complexed with nucleic acid provide insights into the mechanism of RNA interaction. Nucleic Acids Res., 49, 2021
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5G2Y
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![BU of 5g2y by Molmil](/molmil-images/mine/5g2y) | Structure a of Group II Intron Complexed with its Reverse Transcriptase | Descriptor: | GROUP II INTRON | Authors: | Qu, G, Kaushal, P.S, Wang, J, Shigematsu, H, Piazza, C.L, Agrawal, R.K, Belfort, M, Wang, H.W. | Deposit date: | 2016-04-16 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structure of a Group II Intron in Complex with its Reverse Transcriptase. Nat.Struct.Mol.Biol., 23, 2016
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8CML
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4LOI
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![BU of 4loi by Molmil](/molmil-images/mine/4loi) | Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(2',5')p] | Descriptor: | 2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one, PHOSPHATE ION, Stimulator of interferon genes protein | Authors: | Gao, P, Patel, D.J. | Deposit date: | 2013-07-12 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA. Cell(Cambridge,Mass.), 154, 2013
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6STJ
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![BU of 6stj by Molmil](/molmil-images/mine/6stj) | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs | Descriptor: | Cystatin domain-containing protein, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Hobor, F, Miles, J.A, Trinh, C.H, Taylor, J, Tiede, C, Rowell, P.R, Jackson, B, Nadat, F, Kyle, H.F, Wicky, B.I.M, Clarke, J, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | Deposit date: | 2019-09-10 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*. Chembiochem, 22, 2021
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2WBD
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![BU of 2wbd by Molmil](/molmil-images/mine/2wbd) | FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR | Descriptor: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide | Authors: | Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E. | Deposit date: | 2009-02-26 | Release date: | 2009-12-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes. Bioorg.Med.Chem.Lett., 20, 2010
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4RC0
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6JAQ
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![BU of 6jaq by Molmil](/molmil-images/mine/6jaq) | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein R356A in complex with glucose | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | Deposit date: | 2019-01-24 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter. Febs J., 287, 2020
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6IXT
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![BU of 6ixt by Molmil](/molmil-images/mine/6ixt) | Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri in complex with NAD+ and Mg2+ | Descriptor: | GLYCEROL, Isocitrate dehydrogenase, MAGNESIUM ION, ... | Authors: | Zhu, G.P, Tang, W.G, Wang, P. | Deposit date: | 2018-12-12 | Release date: | 2019-12-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs. Arch.Biochem.Biophys., 708, 2021
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1NOI
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6YCZ
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![BU of 6ycz by Molmil](/molmil-images/mine/6ycz) | Plasmodium falciparum Myosin A delta-Nter, Post-Rigor state | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2020-03-19 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets. Elife, 9, 2020
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4RE8
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![BU of 4re8 by Molmil](/molmil-images/mine/4re8) | Crystal Structure of TR3 LBD in complex with Molecule 5 | Descriptor: | 1-(3,4,5-trihydroxyphenyl)dodecan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Weijia, W, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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7NUX
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![BU of 7nux by Molmil](/molmil-images/mine/7nux) | Crystal structure of the TIR domain of human TLR1 (crystallised without ZN2+ ions) | Descriptor: | Toll-like receptor 1 | Authors: | Vakhrameev, D.D, Luginina, A.P, Shevtsov, M.B, Lushpa, V.A, Mineev, K.S, Borshchevskiy, V.I. | Deposit date: | 2021-03-15 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions. Commun Biol, 4, 2021
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6R2A
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![BU of 6r2a by Molmil](/molmil-images/mine/6r2a) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD cocrystallized with succinylphosphonate phosphonoethyl ester (PESP) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid, MAGNESIUM ION, ... | Authors: | Wagner, T, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2019-03-15 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts. J.Struct.Biol., 208, 2019
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2VEV
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![BU of 2vev by Molmil](/molmil-images/mine/2vev) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | Descriptor: | MAGNESIUM ION, N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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6MUF
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6R2L
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![BU of 6r2l by Molmil](/molmil-images/mine/6r2l) | NYBR1-A2-SLSKILDTV | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Cole, D.K, Sami, M. | Deposit date: | 2019-03-18 | Release date: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NYBR1-A2-SLSKILDTV To Be Published
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6MTN
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6IZR
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![BU of 6izr by Molmil](/molmil-images/mine/6izr) | Whole structure of a 15-stranded ParM filament from Clostridium botulinum | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative plasmid segregation protein ParM | Authors: | Koh, F, Narita, A, Lee, L.J, Tan, Y.Z, Dandey, V.P, Tanaka, K, Popp, D, Robinson, R.C. | Deposit date: | 2018-12-20 | Release date: | 2019-06-19 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | The structure of a 15-stranded actin-like filament from Clostridium botulinum. Nat Commun, 10, 2019
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2GVB
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![BU of 2gvb by Molmil](/molmil-images/mine/2gvb) | REFINED SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT OF THE M13 GENE V PROTEIN. A COMPARISON WITH THE CRYSTAL STRUCTURE | Descriptor: | GENE V PROTEIN | Authors: | Folkers, P.J.M, Nilges, M, Folmer, R.H.A, Prompers, J.J, Konings, R.N.H, Hilbers, C.W. | Deposit date: | 1995-07-27 | Release date: | 1995-10-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Refined solution structure of the Tyr41-->His mutant of the M13 gene V protein. A comparison with the crystal structure. Eur.J.Biochem., 232, 1995
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2GVA
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![BU of 2gva by Molmil](/molmil-images/mine/2gva) | REFINED SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT OF THE M13 GENE V PROTEIN. A COMPARISON WITH THE CRYSTAL STRUCTURE | Descriptor: | GENE V PROTEIN | Authors: | Folkers, P.J.M, Nilges, M, Folmer, R.H.A, Prompers, J.J, Konings, R.N.H, Hilbers, C.W. | Deposit date: | 1995-07-27 | Release date: | 1995-10-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Refined solution structure of the Tyr41-->His mutant of the M13 gene V protein. A comparison with the crystal structure. Eur.J.Biochem., 232, 1995
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6R2D
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![BU of 6r2d by Molmil](/molmil-images/mine/6r2d) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester, followed by temperature increase | Descriptor: | (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2019-03-15 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts. J.Struct.Biol., 208, 2019
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