6TWA
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![BU of 6twa by Molmil](/molmil-images/mine/6twa) | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state | Descriptor: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | Authors: | Pippel, J, Strater, N. | Deposit date: | 2020-01-12 | Release date: | 2020-02-19 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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6Q7I
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![BU of 6q7i by Molmil](/molmil-images/mine/6q7i) | GH3 exo-beta-xylosidase (XlnD) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes. Acs Cent.Sci., 5, 2019
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7JJM
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![BU of 7jjm by Molmil](/molmil-images/mine/7jjm) | Crystal structure of Importin alpha 2 in complex with LSD1 NLS | Descriptor: | CHLORIDE ION, Importin subunit alpha-1, Lysine-specific histone demethylase 1A | Authors: | Tu, W.J, McGuaig, R, Tan, H.Y.A, Hardy, C, Seddiki, N, Ali, S, Dahlstrom, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K.M, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S. | Deposit date: | 2020-07-27 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch. Front Immunol, 11, 2020
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1GK2
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7RQC
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![BU of 7rqc by Molmil](/molmil-images/mine/7rqc) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site aminoacyl-tRNA analog ACC-PMN, and P-site MFI-tripeptidyl-tRNA analog ACCA-IFM at 2.50A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Syroegin, E.A, Flemmich, L, Klepacki, D, Vazquez-Laslop, N, Micura, R, Polikanov, Y.S. | Deposit date: | 2021-08-06 | Release date: | 2022-01-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the context-specific action of the classic peptidyl transferase inhibitor chloramphenicol. Nat.Struct.Mol.Biol., 29, 2022
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6BM8
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![BU of 6bm8 by Molmil](/molmil-images/mine/6bm8) | Crystal structure of glycoprotein B from Herpes Simplex Virus type I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, ... | Authors: | Cooper, R.S, Heldwein, E.E. | Deposit date: | 2017-11-13 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Structural basis for membrane anchoring and fusion regulation of the herpes simplex virus fusogen gB. Nat. Struct. Mol. Biol., 25, 2018
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6G9I
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![BU of 6g9i by Molmil](/molmil-images/mine/6g9i) | Crystal structure of Ebolavirus glycoprotein in complex with clomipramine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, Envelope glycoprotein,Envelope glycoprotein, ... | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | Deposit date: | 2018-04-10 | Release date: | 2018-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs. J. Med. Chem., 61, 2018
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7UPJ
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![BU of 7upj by Molmil](/molmil-images/mine/7upj) | HIV-1 PROTEASE/U101935 COMPLEX | Descriptor: | HIV-1 PROTEASE, N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE | Authors: | Watenpaugh, K.D, Janakiraman, M.N. | Deposit date: | 1996-12-05 | Release date: | 1997-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones. J.Med.Chem., 40, 1997
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1GKY
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4TRF
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7RQB
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![BU of 7rqb by Molmil](/molmil-images/mine/7rqb) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site aminoacyl-tRNA analog ACC-PMN, and P-site MAI-tripeptidyl-tRNA analog ACCA-IAM at 2.45A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Syroegin, E.A, Flemmich, L, Klepacki, D, Vazquez-Laslop, N, Micura, R, Polikanov, Y.S. | Deposit date: | 2021-08-06 | Release date: | 2022-01-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for the context-specific action of the classic peptidyl transferase inhibitor chloramphenicol. Nat.Struct.Mol.Biol., 29, 2022
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1GYE
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![BU of 1gye by Molmil](/molmil-images/mine/1gye) | Structure of Cellvibrio cellulosa alpha-L-arabinanase complexed with Arabinohexaose | Descriptor: | ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A, CHLORIDE ION, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose | Authors: | Nurizzo, D, Turkenburg, J.P, Charnock, S.J, Roberts, S.M, Dodson, E.J, McKie, V.A, Taylor, E.J, Gilbert, H.J, Davies, G.J. | Deposit date: | 2002-04-23 | Release date: | 2002-08-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cellvibrio japonicus alpha-L-arabinanase 43A has a novel five-blade beta-propeller fold. Nat. Struct. Biol., 9, 2002
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7LL0
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5IY0
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![BU of 5iy0 by Molmil](/molmil-images/mine/5iy0) | PfMCM N-terminal domain double hexamer | Descriptor: | Cell division control protein 21, ZINC ION | Authors: | Meagher, M, Enemark, E.J. | Deposit date: | 2016-03-23 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of a double hexamer of the Pyrococcus furiosus minichromosome maintenance protein N-terminal domain. Acta Crystallogr.,Sect.F, 72, 2016
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5CRF
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![BU of 5crf by Molmil](/molmil-images/mine/5crf) | Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis | Descriptor: | PHOSPHATE ION, Penicillin-binding protein 1A | Authors: | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2015-07-22 | Release date: | 2016-05-04 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance. Febs J., 283, 2016
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7MEU
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7A18
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![BU of 7a18 by Molmil](/molmil-images/mine/7a18) | 50S Deinococcus radiodurans ribosome bounded with mycinamicin IV | Descriptor: | 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L15, ... | Authors: | Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A. | Deposit date: | 2020-08-12 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida. Nucleic Acids Res., 49, 2021
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6G4F
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7O19
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![BU of 7o19 by Molmil](/molmil-images/mine/7o19) | Cryo-EM structure of an Escherichia coli TnaC-ribosome complex stalled in response to L-tryptophan | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | van der Stel, A.X, Gordon, E.R, Sengupta, A, Martinez, A.K, Klepacki, D, Perry, T.N, Herrero del Valle, A, Vazquez-Laslop, N, Sachs, M.S, Cruz-Vera, L.R, Innis, C.A. | Deposit date: | 2021-03-29 | Release date: | 2021-09-01 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the tryptophan sensitivity of TnaC-mediated ribosome stalling. Nat Commun, 12, 2021
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1GRZ
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6OI0
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![BU of 6oi0 by Molmil](/molmil-images/mine/6oi0) | Crystal structure of human WDR5 in complex with L-arginine | Descriptor: | ARGININE, GLYCEROL, SULFATE ION, ... | Authors: | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | Deposit date: | 2019-04-08 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
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7R9V
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![BU of 7r9v by Molmil](/molmil-images/mine/7r9v) | Structure of PIK3CA with covalent inhibitor 19 | Descriptor: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Burke, J.E, McPhail, J.A. | Deposit date: | 2021-06-29 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha. J.Am.Chem.Soc., 144, 2022
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6TZH
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![BU of 6tzh by Molmil](/molmil-images/mine/6tzh) | ADC-7 in complex with boronic acid transition state inhibitor S06015 | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION, ... | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
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7R9Y
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![BU of 7r9y by Molmil](/molmil-images/mine/7r9y) | Structure of PIK3CA with covalent inhibitor 22 | Descriptor: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Burke, J.E, McPhail, J.A. | Deposit date: | 2021-06-29 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha. J.Am.Chem.Soc., 144, 2022
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5EKI
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