6XNR
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![BU of 6xnr by Molmil](/molmil-images/mine/6xnr) | Crystal structure of Rhagium Mordax antifreeze protein | Descriptor: | 1,2-ETHANEDIOL, Antifreeze protein | Authors: | Ye, Q, Eves, R, Campbell, R.L, Davies, P.L. | Deposit date: | 2020-07-04 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of an insect antifreeze protein reveals ordered waters on the ice-binding surface. Biochem.J., 477, 2020
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8EL1
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![BU of 8el1 by Molmil](/molmil-images/mine/8el1) | Structure of MBP-Mcl-1 in complex with ABBV-467 | Descriptor: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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8EL3
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![BU of 8el3 by Molmil](/molmil-images/mine/8el3) | Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 in a loose interface filament | Descriptor: | DiCys-(15,16)-Dihydrobiliverdin, PHYCOERYTHROBILIN, Phycoerythrin alpha-1 subunit, ... | Authors: | Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G. | Deposit date: | 2022-09-23 | Release date: | 2023-10-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii. Commun Biol, 6, 2023
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8ESF
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![BU of 8esf by Molmil](/molmil-images/mine/8esf) | |
8OZ8
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![BU of 8oz8 by Molmil](/molmil-images/mine/8oz8) | Crystal Structure of an Hydroxynitrile lyase variant (H96A) from Granulicella tundricola | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, BROMIDE ION, ... | Authors: | Bento, I, Coloma, J, Hagedoorn, P.-L, Hanefeld, U. | Deposit date: | 2023-05-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Can a Hydroxynitrile Lyase Catalyze an Oxidative Cleavage? Acs Catalysis, 13, 2023
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8EI4
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![BU of 8ei4 by Molmil](/molmil-images/mine/8ei4) | Crystal structure of the WWP1 HECT domain in complex with H302, a Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, H302, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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8OVV
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![BU of 8ovv by Molmil](/molmil-images/mine/8ovv) | |
8EIA
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![BU of 8eia by Molmil](/molmil-images/mine/8eia) | Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H333, a Helicon Polypeptide | Descriptor: | Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H333, ... | Authors: | Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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8ETY
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![BU of 8ety by Molmil](/molmil-images/mine/8ety) | |
8EL6
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![BU of 8el6 by Molmil](/molmil-images/mine/8el6) | Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 with an altered helix hA/hY conformation | Descriptor: | DiCys-(15,16)-Dihydrobiliverdin, PHYCOERYTHROBILIN, Phycoerythrin alpha-1 subunit, ... | Authors: | Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G. | Deposit date: | 2022-09-23 | Release date: | 2023-10-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii. Commun Biol, 6, 2023
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5LCV
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![BU of 5lcv by Molmil](/molmil-images/mine/5lcv) | |
8ON5
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![BU of 8on5 by Molmil](/molmil-images/mine/8on5) | |
5LMA
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![BU of 5lma by Molmil](/molmil-images/mine/5lma) | |
8ORC
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![BU of 8orc by Molmil](/molmil-images/mine/8orc) | Mus Musculus Acetylcholinesterase in complex with AL237 | Descriptor: | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea, 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Ekstrom, F.E, Linusson, A. | Deposit date: | 2023-04-13 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enzyme Dynamics Determine Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes To Be Published
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5LFK
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![BU of 5lfk by Molmil](/molmil-images/mine/5lfk) | Crystal structure of CpxAHDC (hemiphosphorylated form) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Mechaly, A.E, Alzari, P.M. | Deposit date: | 2016-07-01 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.094 Å) | Cite: | Structural Coupling between Autokinase and Phosphotransferase Reactions in a Bacterial Histidine Kinase. Structure, 25, 2017
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5LGK
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![BU of 5lgk by Molmil](/molmil-images/mine/5lgk) | Crystal structure of the human IgE-Fc bound to its B cell receptor derCD23 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ig epsilon chain C region, Low affinity immunoglobulin epsilon Fc receptor, ... | Authors: | Dhaliwal, B, Pang, M.O.Y, Sutton, B.J. | Deposit date: | 2016-07-07 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | IgE binds asymmetrically to its B cell receptor CD23. Sci Rep, 7, 2017
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8P5A
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![BU of 8p5a by Molmil](/molmil-images/mine/8p5a) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer R. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P55
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![BU of 8p55 by Molmil](/molmil-images/mine/8p55) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar MG-132. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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5LHE
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![BU of 5lhe by Molmil](/molmil-images/mine/5lhe) | |
8OUQ
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![BU of 8ouq by Molmil](/molmil-images/mine/8ouq) | Clr-11 from Rattus norvegicus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D11 | Authors: | Skalova, T, Blaha, J, Kalouskova, B, Skorepa, O, Vanek, O, Dohnalek, J. | Deposit date: | 2023-04-24 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Clr-11 from Rattus norvegicus To Be Published
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5LHW
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![BU of 5lhw by Molmil](/molmil-images/mine/5lhw) | Central Coiled-Coil Domain of Human STIL | Descriptor: | HEXAETHYLENE GLYCOL, SCL-interrupting locus protein | Authors: | Cottee, M.A, Lea, S.M. | Deposit date: | 2016-07-13 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies. Biol Open, 6, 2017
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8P57
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![BU of 8p57 by Molmil](/molmil-images/mine/8p57) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8OSV
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![BU of 8osv by Molmil](/molmil-images/mine/8osv) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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8P5C
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![BU of 8p5c by Molmil](/molmil-images/mine/8p5c) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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5LKE
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![BU of 5lke by Molmil](/molmil-images/mine/5lke) | |