8VKP
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![BU of 8vkp by Molmil](/molmil-images/mine/8vkp) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with human ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | Deposit date: | 2024-01-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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8VKK
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![BU of 8vkk by Molmil](/molmil-images/mine/8vkk) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | Deposit date: | 2024-01-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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8VKO
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![BU of 8vko by Molmil](/molmil-images/mine/8vko) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | Deposit date: | 2024-01-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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6SGO
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![BU of 6sgo by Molmil](/molmil-images/mine/6sgo) | NMR structure of MLP124017 | Descriptor: | Secreted protein | Authors: | Barthe, P, de Guillen, K, Padilla, A, Hecker, A. | Deposit date: | 2019-08-05 | Release date: | 2019-12-18 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural genomics applied to the rust fungus Melampsora larici-populina reveals two candidate effector proteins adopting cystine knot and NTF2-like protein folds. Sci Rep, 9, 2019
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5DEF
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![BU of 5def by Molmil](/molmil-images/mine/5def) | Crystal structure of B*27:04 complex bound to the pVIPR peptide | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | Authors: | Loll, B, Fabian, H, Huser, H, Hee, C.S, Uchanska-Ziegler, B, Ziegler, A. | Deposit date: | 2015-08-25 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Increased Conformational Flexibility of HLA-B*27 Subtypes Associated With Ankylosing Spondylitis. Arthritis Rheumatol, 68, 2016
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8VKM
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![BU of 8vkm by Molmil](/molmil-images/mine/8vkm) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | Deposit date: | 2024-01-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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1I8J
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![BU of 1i8j by Molmil](/molmil-images/mine/1i8j) | CRYSTAL STRUCTURE OF PORPHOBILINOGEN SYNTHASE COMPLEXED WITH THE INHIBITOR 4,7-DIOXOSEBACIC ACID | Descriptor: | 4,7-DIOXOSEBACIC ACID, MAGNESIUM ION, PORPHOBILINOGEN SYNTHASE, ... | Authors: | Kervinen, J, Jaffe, E.K, Stauffer, F, Neier, R, Wlodawer, A, Zdanov, A. | Deposit date: | 2001-03-14 | Release date: | 2001-06-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic basis for suicide inactivation of porphobilinogen synthase by 4,7-dioxosebacic acid, an inhibitor that shows dramatic species selectivity. Biochemistry, 40, 2001
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2JAM
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![BU of 2jam by Molmil](/molmil-images/mine/2jam) | Crystal structure of human calmodulin-dependent protein kinase I G | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, CALCIUM ION, ... | Authors: | Debreczeni, J.E, Bullock, A, Keates, T, Niesen, F.H, Salah, E, Shrestha, L, Smee, C, Sobott, F, Pike, A.C.W, Bunkoczi, G, von Delft, F, Turnbull, A, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S. | Deposit date: | 2006-11-29 | Release date: | 2007-03-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Human Calmodulin-Dependent Protein Kinase I G To be Published
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5CZ1
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![BU of 5cz1 by Molmil](/molmil-images/mine/5cz1) | |
8VKN
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![BU of 8vkn by Molmil](/molmil-images/mine/8vkn) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (focused refinement of RBD and mouse ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | Deposit date: | 2024-01-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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8VQ3
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![BU of 8vq3 by Molmil](/molmil-images/mine/8vq3) | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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8VKL
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![BU of 8vkl by Molmil](/molmil-images/mine/8vkl) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | Deposit date: | 2024-01-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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9C47
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![BU of 9c47 by Molmil](/molmil-images/mine/9c47) | TRRAP module of the human TIP60 complex | Descriptor: | E1A-binding protein p400, Transformation/transcription domain-associated protein | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | Deposit date: | 2024-06-03 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex. Science, 2024
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9C4B
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![BU of 9c4b by Molmil](/molmil-images/mine/9c4b) | Second BAF53a of the human TIP60 complex | Descriptor: | Actin-like protein 6A | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | Deposit date: | 2024-06-03 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex. Science, 2024
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5NB1
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![BU of 5nb1 by Molmil](/molmil-images/mine/5nb1) | |
5AFN
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![BU of 5afn by Molmil](/molmil-images/mine/5afn) | alpha7-AChBP in complex with lobeline and fragment 5 | Descriptor: | (4R)-4-(2-phenylethyl)pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, ... | Authors: | Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C. | Deposit date: | 2015-01-22 | Release date: | 2015-05-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor. Proc.Natl.Acad.Sci.USA, 112, 2015
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8PI3
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![BU of 8pi3 by Molmil](/molmil-images/mine/8pi3) | Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ... | Authors: | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | Deposit date: | 2023-06-21 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins. Nat.Chem.Biol., 2024
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5NCD
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![BU of 5ncd by Molmil](/molmil-images/mine/5ncd) | Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2-amino-5-(diaminomethylideneamino)-N-hydroxypentanamide | Descriptor: | ACETATE ION, CITRIC ACID, N-HYDROXY-L-ARGININAMIDE, ... | Authors: | Giastas, P, Andreou, A, Eliopoulos, E.E. | Deposit date: | 2017-03-03 | Release date: | 2018-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.447 Å) | Cite: | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors. Biochemistry, 57, 2018
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5N4R
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![BU of 5n4r by Molmil](/molmil-images/mine/5n4r) | |
5N4Z
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![BU of 5n4z by Molmil](/molmil-images/mine/5n4z) | |
1URC
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![BU of 1urc by Molmil](/molmil-images/mine/1urc) | Cyclin A binding groove inhibitor Ace-Arg-Lys-Leu-Phe-Gly | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, PEPTIDE INHIBITOR | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-10-28 | Release date: | 2003-10-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis, biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes. Org. Biomol. Chem., 2, 2004
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4BNH
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![BU of 4bnh by Molmil](/molmil-images/mine/4bnh) | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-phenoxyphenol | Descriptor: | 5-hexyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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1KJN
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![BU of 1kjn by Molmil](/molmil-images/mine/1kjn) | |
4BNL
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![BU of 4bnl by Molmil](/molmil-images/mine/4bnl) | Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-(2-propenyl)phenol | Descriptor: | 2-PHENOXY-5-(2-PROPENYL)PHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C.F. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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8RCQ
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![BU of 8rcq by Molmil](/molmil-images/mine/8rcq) | Structural flexibility of Nucleoprotein of the Toscana virus in the presence of a nanobody. | Descriptor: | Nucleoprotein, VHH | Authors: | Papageorgiou, N, Ferron, F, Coutard, B, Lichiere, J, Baklouti, A. | Deposit date: | 2023-12-06 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural flexibility of Toscana virus nucleoprotein in the presence of a single-chain camelid antibody. Acta Crystallogr D Struct Biol, 80, 2024
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