5CP6
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![BU of 5cp6 by Molmil](/molmil-images/mine/5cp6) | Nucleosome Core Particle with Adducts from the Anticancer Compound, [(eta6-5,8,9,10-tetrahydroanthracene)Ru(ethylenediamine)Cl][PF6] | Descriptor: | (ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl, DNA (145-MER), Histone H2A, ... | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | Deposit date: | 2015-07-21 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode. Angew.Chem.Int.Ed.Engl., 55, 2016
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5UG7
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![BU of 5ug7 by Molmil](/molmil-images/mine/5ug7) | Calcium bound Perforin C2 Domain - T431D | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C. | Deposit date: | 2017-01-07 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin. Cell Death Differ., 25, 2018
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5CFL
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![BU of 5cfl by Molmil](/molmil-images/mine/5cfl) | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' c-di-GMP, c[G(3', 5')pG(3', 5')p] | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CITRATE ANION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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7ZUC
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![BU of 7zuc by Molmil](/molmil-images/mine/7zuc) | Human Major Histocompatibility Complex A2 allele presenting LLLGIGILV | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, LEU-LEU-LEU-GLY-ILE-GLY-ILE-LEU-VAL, ... | Authors: | Rizkallah, P.J, Wall, A, Sewell, A.K, Fuller, A. | Deposit date: | 2022-05-12 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy. Cell, 186, 2023
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5CFR
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![BU of 5cfr by Molmil](/molmil-images/mine/5cfr) | Crystal structure of anemone STING (Nematostella vectensis) in apo 'unrotated' closed conformation | Descriptor: | CALCIUM ION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5UFW
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![BU of 5ufw by Molmil](/molmil-images/mine/5ufw) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154 | Descriptor: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor | Authors: | Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | Deposit date: | 2017-01-06 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.583 Å) | Cite: | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity. Nat Commun, 9, 2018
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5UGT
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![BU of 5ugt by Molmil](/molmil-images/mine/5ugt) | Crystal structure of M. tuberculosis InhA inhibited by PT504 | Descriptor: | 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | Deposit date: | 2017-01-10 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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7ZPF
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![BU of 7zpf by Molmil](/molmil-images/mine/7zpf) | Three-dimensional structure of AIP56, a short-trip single chain AB toxin from Photobacterium damselae subsp. piscicida. | Descriptor: | Aip56, GLYCEROL, NICKEL (II) ION, ... | Authors: | Lisboa, J, Pereira, P.J.B, dos Santos, N.M.S. | Deposit date: | 2022-04-27 | Release date: | 2023-05-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Unconventional structure and mechanisms for membrane interaction and translocation of the NF-kappa B-targeting toxin AIP56. Nat Commun, 14, 2023
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7ZY3
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![BU of 7zy3 by Molmil](/molmil-images/mine/7zy3) | Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation | Descriptor: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F. | Deposit date: | 2022-05-23 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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5COQ
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![BU of 5coq by Molmil](/molmil-images/mine/5coq) | The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-20 | Release date: | 2015-08-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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5CP8
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![BU of 5cp8 by Molmil](/molmil-images/mine/5cp8) | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ... | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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5CFM
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![BU of 5cfm by Molmil](/molmil-images/mine/5cfm) | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' cGAMP, c[G(3', 5')pA(3', 5')p] | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CITRATE ANION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5CFQ
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![BU of 5cfq by Molmil](/molmil-images/mine/5cfq) | Crystal structure of anemone STING (Nematostella vectensis) in complex with 2',3' cGAMP, c[G(2',5')pA(3',5')p] | Descriptor: | SULFATE ION, Stimulator of Interferon Genes, cGAMP | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5CJX
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![BU of 5cjx by Molmil](/molmil-images/mine/5cjx) | |
5CPB
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![BU of 5cpb by Molmil](/molmil-images/mine/5cpb) | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and inhibition by ligand PT70 (TCU) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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8AEY
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![BU of 8aey by Molmil](/molmil-images/mine/8aey) | 3 A CRYO-EM STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FERRITIN FROM TIMEPIX3 detector | Descriptor: | Ferritin BfrB | Authors: | Zhang, Y, van Schayck, J.P, Knoops, K, Peters, P.J, Ravelli, R.B.G. | Deposit date: | 2022-07-14 | Release date: | 2023-01-18 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Integration of an Event-driven Timepix3 Hybrid Pixel Detector into a Cryo-EM Workflow Microsc Microanal, 2023
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5TIW
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![BU of 5tiw by Molmil](/molmil-images/mine/5tiw) | |
5D4K
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![BU of 5d4k by Molmil](/molmil-images/mine/5d4k) | |
6HS5
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![BU of 6hs5 by Molmil](/molmil-images/mine/6hs5) | N-terminal domain including the conserved ImpA_N region of the TssA component of the type VI secretion system from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TssA | Authors: | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | Deposit date: | 2018-09-28 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the function of type VI secretion system TssA subunits. Nat Commun, 9, 2018
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5TDN
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![BU of 5tdn by Molmil](/molmil-images/mine/5tdn) | |
6HJK
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![BU of 6hjk by Molmil](/molmil-images/mine/6hjk) | Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2 | Descriptor: | (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide, Aurora kinase A, CHLORIDE ION, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2018-09-04 | Release date: | 2018-10-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. ACS Chem. Biol., 13, 2018
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5D6D
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![BU of 5d6d by Molmil](/molmil-images/mine/5d6d) | Crystal structure of GASDALIE IgG1 Fc in complex with FcgRIIIa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, Low affinity immunoglobulin gamma Fc region receptor III-A, ... | Authors: | Ahmed, A.A, Bjorkman, P.J. | Deposit date: | 2015-08-12 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Structural characterization of GASDALIE Fc bound to the activating Fc receptor Fc gamma RIIIa. J.Struct.Biol., 194, 2016
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7ZRM
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![BU of 7zrm by Molmil](/molmil-images/mine/7zrm) | Cryo-EM map of the unphosphorylated KdpFABC complex in the E1-P_ADP conformation, under turnover conditions | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
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7ZRD
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![BU of 7zrd by Molmil](/molmil-images/mine/7zrd) | Cryo-EM map of the WT KdpFABC complex in the E1-P tight conformation, stabilised with the inhibitor orthovanadate | Descriptor: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
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7ZRL
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![BU of 7zrl by Molmil](/molmil-images/mine/7zrl) | Cryo-EM map of the unphosphorylated KdpFABC complex in the E2-P conformation, under turnover conditions | Descriptor: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
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