5ZQI
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![BU of 5zqi by Molmil](/molmil-images/mine/5zqi) | Alginate lyase AlgAT5 from Polysaccharide Lyase family 7 | Descriptor: | Alginate lyase AlgAT5, SULFATE ION | Authors: | Su, H, Dong, S, Feng, Y.G, Ji, S.Q, Lu, M, Li, F.L. | Deposit date: | 2018-04-19 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Alginate lyase AlgAT5 from Polysaccharide Lyase family 7 To Be Published
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7VL3
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![BU of 7vl3 by Molmil](/molmil-images/mine/7vl3) | The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with phenyl alpha-D-glucoside | Descriptor: | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol, CALCIUM ION, beta-1,2-glucosyltransferase | Authors: | Kobayashi, K, Shimizu, H, Tanaka, N, Kuramochi, K, Nakai, H, Nakajima, M, Taguchi, H. | Deposit date: | 2021-10-01 | Release date: | 2022-03-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages. J.Biol.Chem., 298, 2022
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8PDI
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![BU of 8pdi by Molmil](/molmil-images/mine/8pdi) | The phosphatase and C2 domains of SHIP1 with covalent Z1763271112 | Descriptor: | (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | Authors: | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | Deposit date: | 2023-06-12 | Release date: | 2023-07-26 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
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7SI5
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![BU of 7si5 by Molmil](/molmil-images/mine/7si5) | CRYSTAL STRUCTURE OF EED WITH MRTX-1919 | Descriptor: | (4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, 1,2-ETHANEDIOL, FORMIC ACID, ... | Authors: | Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A. | Deposit date: | 2021-10-12 | Release date: | 2022-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | CRYSTAL STRUCTURE OF EED WITH MRTX-1919 TO BE PUBLISHED
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6U0D
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![BU of 6u0d by Molmil](/molmil-images/mine/6u0d) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590 | Descriptor: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea | Authors: | Leonard, P.G, Joseph, S. | Deposit date: | 2019-08-14 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site J. Med. Chem., 2022
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5ZQP
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![BU of 5zqp by Molmil](/molmil-images/mine/5zqp) | Tankyrase-2 in complex with compound 12 | Descriptor: | 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one, GLYCEROL, PHOSPHATE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | Deposit date: | 2018-04-19 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. J. Med. Chem., 62, 2019
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6OBR
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![BU of 6obr by Molmil](/molmil-images/mine/6obr) | PP1 Y134A in complex with Microcystin LR | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Microcystin LR, ... | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | Deposit date: | 2019-03-21 | Release date: | 2019-09-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1. Proc.Natl.Acad.Sci.USA, 116, 2019
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7VL0
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![BU of 7vl0 by Molmil](/molmil-images/mine/7vl0) | The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with p-nitrophenyl-alpha-D-glucopyranoside | Descriptor: | 4-nitrophenyl alpha-D-glucopyranoside, Beta-galactosidase, CALCIUM ION | Authors: | Kobayashi, K, Shimizu, H, Tanaka, N, Kuramochi, K, Nakai, H, Nakajima, M, Taguchi, H. | Deposit date: | 2021-10-01 | Release date: | 2022-03-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages. J.Biol.Chem., 298, 2022
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8OU1
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![BU of 8ou1 by Molmil](/molmil-images/mine/8ou1) | |
4ZX5
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![BU of 4zx5 by Molmil](/molmil-images/mine/4zx5) | |
7NFQ
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![BU of 7nfq by Molmil](/molmil-images/mine/7nfq) | Fujian capmidlink domain in complex with Nb8193 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Nb8193, ... | Authors: | Keown, J.R, Grimes, J.M, Fodor, E. | Deposit date: | 2021-02-07 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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6OB6
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7NIZ
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![BU of 7niz by Molmil](/molmil-images/mine/7niz) | Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065 | Descriptor: | 14-3-3 protein sigma, Estrogen receptor, FUSICOCCIN, ... | Authors: | Roversi, P, Falcicchio, M, Doveston, R. | Deposit date: | 2021-02-14 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification. Chem Sci, 12, 2021
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8OT8
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7VDP
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![BU of 7vdp by Molmil](/molmil-images/mine/7vdp) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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6LQB
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![BU of 6lqb by Molmil](/molmil-images/mine/6lqb) | A third intermediate state of L,D-transpeptidase LdtMt2-ertapenem adduct | Descriptor: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, ACETIC ACID, GLYCEROL, ... | Authors: | Li, D.F, Qin, Y.L. | Deposit date: | 2020-01-13 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A New State I-plus Observed for the L,D-transpeptidase LdtMt2-ertapenem Adduct Prog.Biochem.Biophys., 47, 2020
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7RYW
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![BU of 7ryw by Molmil](/molmil-images/mine/7ryw) | Crystal structure of Ferritin grown by the microbatch method in the presence of Agarose | Descriptor: | CADMIUM ION, Ferritin light chain, SULFATE ION | Authors: | Aditya, S, Priyadharshine, R, Maham, I, Miller, D.J, Stojanoff, V. | Deposit date: | 2021-08-26 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of Ferritin grown by microbatch method in the presence of agarose To Be Published
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7N43
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6OB7
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![BU of 6ob7 by Molmil](/molmil-images/mine/6ob7) | Human equilibrative nucleoside transporter-1, dilazep bound | Descriptor: | (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate), (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Equilibrative nucleoside transporter 1 | Authors: | Wright, N.J, Lee, S.-Y. | Deposit date: | 2019-03-19 | Release date: | 2019-07-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of human ENT1 in complex with adenosine reuptake inhibitors. Nat.Struct.Mol.Biol., 26, 2019
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6U6L
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![BU of 6u6l by Molmil](/molmil-images/mine/6u6l) | BRD4-BD2 in complex with the cyclic peptide 3.1_2 | Descriptor: | AMINO GROUP, Bromodomain-containing protein 4, Cyclic peptide 3.1_2, ... | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-08-30 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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7S6V
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7RZX
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![BU of 7rzx by Molmil](/molmil-images/mine/7rzx) | Crystal Structure of Ferritin grown by microbatch method in presence of agarose and electric field 4.3KV | Descriptor: | CADMIUM ION, Ferritin light chain, SULFATE ION | Authors: | Aditya, S, Priyadharshine, R, Maham, I, Miller, J.D, Stojanoff, V. | Deposit date: | 2021-08-27 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal Structure of Ferritin grown by microbatch method in presence of agarose and electric field 4.3KV To Be Published
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6OC7
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![BU of 6oc7 by Molmil](/molmil-images/mine/6oc7) | HMP42 Fab in complex with Protein G | Descriptor: | Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab | Authors: | Bernard, S.M, Wilson, I.A. | Deposit date: | 2019-03-22 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.296 Å) | Cite: | A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses. Science, 366, 2019
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4ZRW
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![BU of 4zrw by Molmil](/molmil-images/mine/4zrw) | Structure of cow mincle complexed with trehalose | Descriptor: | CALCIUM ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, mincle protein | Authors: | Feinberg, H, Rambaruth, N.D.S, Taylor, M.E, Drickamer, K, Weis, W.I. | Deposit date: | 2015-05-12 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle. J.Biol.Chem., 291, 2016
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7SDC
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![BU of 7sdc by Molmil](/molmil-images/mine/7sdc) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MI-09 | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2021-09-29 | Release date: | 2022-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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