5LVH
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3N9S
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![BU of 3n9s by Molmil](/molmil-images/mine/3n9s) | Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(4-hydroxybutyl)- glycolohydroxamic acid bis-phosphate, a competitive inhibitor | Descriptor: | 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, CALCIUM ION, Fructose-bisphosphate aldolase, ... | Authors: | Coincon, M, Sygusch, S. | Deposit date: | 2010-05-31 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Rational Design, Synthesis, and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases. J.Med.Chem., 53, 2010
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3NBZ
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![BU of 3nbz by Molmil](/molmil-images/mine/3nbz) | Crystal structure of the HIV-1 Rev NES-CRM1-RanGTP nuclear export complex (crystal I) | Descriptor: | Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D. | Deposit date: | 2010-06-04 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1. Nat.Struct.Mol.Biol., 17, 2010
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5NY8
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![BU of 5ny8 by Molmil](/molmil-images/mine/5ny8) | The structure of the thermobifida fusca guanidine III riboswitch with aminoguanidine | Descriptor: | AMINOGUANIDINE, MAGNESIUM ION, RNA (41-MER), ... | Authors: | Huang, L, Wang, J, Lilley, D.M.J. | Deposit date: | 2017-05-11 | Release date: | 2017-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure of the Guanidine III Riboswitch. Cell Chem Biol, 24, 2017
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5LWQ
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![BU of 5lwq by Molmil](/molmil-images/mine/5lwq) | CeuE (H227L variant) a periplasmic protein from Campylobacter jejuni | Descriptor: | BROMIDE ION, Enterochelin uptake periplasmic binding protein, SODIUM ION | Authors: | Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2016-09-19 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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6W3V
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![BU of 6w3v by Molmil](/molmil-images/mine/6w3v) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-phenylalanine | Descriptor: | CHLORIDE ION, Methyl-accepting chemotaxis protein, PHENYLALANINE, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
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7BCZ
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![BU of 7bcz by Molmil](/molmil-images/mine/7bcz) | Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa | Descriptor: | 4'-phosphopantetheinyl transferase EntD, COENZYME A, MAGNESIUM ION, ... | Authors: | Carivenc, C, Mourey, L, Pedelacq, J.D. | Deposit date: | 2020-12-21 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds. Sci Rep, 11, 2021
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5LYU
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![BU of 5lyu by Molmil](/molmil-images/mine/5lyu) | The native crystal structure of 7SK 5'-hairpin | Descriptor: | 7SK RNA, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Martinez-Zapien, D, Legrand, P, McEwen, A.C, Pasquali, S, Dock-Bregeon, A.-C. | Deposit date: | 2016-09-28 | Release date: | 2017-01-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of the 5 functional domain of the transcription riboregulator 7SK. Nucleic Acids Res., 45, 2017
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5M4L
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![BU of 5m4l by Molmil](/molmil-images/mine/5m4l) | Crystal Structure of Wild-Type Human Prolidase with Mg ions and LeuPro ligand | Descriptor: | GLYCEROL, HYDROXIDE ION, LEUCINE, ... | Authors: | Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H. | Deposit date: | 2016-10-18 | Release date: | 2017-07-12 | Last modified: | 2020-04-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Substrate specificity and reaction mechanism of human prolidase. FEBS J., 284, 2017
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5OCV
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![BU of 5ocv by Molmil](/molmil-images/mine/5ocv) | A Rare Lysozyme Crystal Form Solved Using High-Redundancy 3D Electron Diffraction Data from Micron-Sized Needle Shaped Crystals | Descriptor: | Lysozyme C, SODIUM ION | Authors: | Xu, H, Lebrette, H, Yang, T, Srinivas, V, Hovmoller, S, Hogbom, M, Zou, X. | Deposit date: | 2017-07-03 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | ELECTRON CRYSTALLOGRAPHY (2.2 Å) | Cite: | A Rare Lysozyme Crystal Form Solved Using Highly Redundant Multiple Electron Diffraction Datasets from Micron-Sized Crystals. Structure, 26, 2018
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5ODL
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![BU of 5odl by Molmil](/molmil-images/mine/5odl) | Single-stranded DNA-binding protein from bacteriophage Enc34 in complex with ssDNA | Descriptor: | GLYCEROL, SODIUM ION, oligo(T), ... | Authors: | Cernooka, E, Rumnieks, J, Kazaks, A, Tars, K. | Deposit date: | 2017-07-05 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural Basis for DNA Recognition of a Single-stranded DNA-binding Protein from Enterobacter Phage Enc34. Sci Rep, 7, 2017
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5NZD
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![BU of 5nzd by Molmil](/molmil-images/mine/5nzd) | The structure of the thermobifida fusca guanidine III riboswitch in space group P212121. | Descriptor: | ACETATE ION, MAGNESIUM ION, SODIUM ION, ... | Authors: | Huang, L, Wang, J, Lilley, D.M.J. | Deposit date: | 2017-05-13 | Release date: | 2017-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Structure of the Guanidine III Riboswitch. Cell Chem Biol, 24, 2017
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5LTS
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![BU of 5lts by Molmil](/molmil-images/mine/5lts) | Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease Mutant D118A | Descriptor: | CHLORIDE ION, GLYCEROL, RNA-directed RNA polymerase L, ... | Authors: | Saez-Ayala, M, Yekwa, E.L, Canard, B, Alvarez, K, Ferron, F. | Deposit date: | 2016-09-07 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal structures ofLymphocytic choriomeningitis virusendonuclease domain complexed with diketo-acid ligands. IUCrJ, 5, 2018
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5M5A
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![BU of 5m5a by Molmil](/molmil-images/mine/5m5a) | Crystal structure of MELK in complex with an inhibitor | Descriptor: | CHLORIDE ION, K-252A, Maternal embryonic leucine zipper kinase, ... | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | Deposit date: | 2016-10-21 | Release date: | 2017-12-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The target landscape of clinical kinase drugs. Science, 358, 2017
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5MAH
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![BU of 5mah by Molmil](/molmil-images/mine/5mah) | Crystal structure of MELK in complex with an inhibitor | Descriptor: | CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | Deposit date: | 2016-11-03 | Release date: | 2017-12-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The target landscape of clinical kinase drugs. Science, 358, 2017
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5NXF
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![BU of 5nxf by Molmil](/molmil-images/mine/5nxf) | Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, residues 795 to 1289, at 1.9 Angstrom. | Descriptor: | ACETATE ION, GLYCEROL, Long-tail fiber proximal subunit, ... | Authors: | Namura, M, van Raaij, M.J, Kanamaru, S. | Deposit date: | 2017-05-10 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34. Viruses, 9, 2017
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6W7G
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![BU of 6w7g by Molmil](/molmil-images/mine/6w7g) | Structure of EED bound to inhibitor 1056 | Descriptor: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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7F6E
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![BU of 7f6e by Molmil](/molmil-images/mine/7f6e) | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to Mg2+-citrate complex (Form I) | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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5M6F
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![BU of 5m6f by Molmil](/molmil-images/mine/5m6f) | Small Molecule inhibitors of IAP | Descriptor: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | Authors: | Williams, P.A. | Deposit date: | 2016-10-25 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
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5NI7
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![BU of 5ni7 by Molmil](/molmil-images/mine/5ni7) | Ligand complex of RORg LBD | Descriptor: | DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2017-03-23 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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5NJ1
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5NM2
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![BU of 5nm2 by Molmil](/molmil-images/mine/5nm2) | A2A Adenosine receptor cryo structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J. | Deposit date: | 2017-04-05 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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6VOD
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![BU of 6vod by Molmil](/molmil-images/mine/6vod) | HIV-1 wild type protease with GRL-052-16A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand | Descriptor: | (1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2020-01-30 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies. J.Med.Chem., 63, 2020
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5NBJ
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![BU of 5nbj by Molmil](/molmil-images/mine/5nbj) | DLS Tetragonal - ReHEWL | Descriptor: | CHLORIDE ION, Lysozyme C, RHENIUM, ... | Authors: | Brink, A, Helliwell, J.R. | Deposit date: | 2017-03-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.266 Å) | Cite: | New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents. IUCrJ, 4, 2017
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6VUX
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![BU of 6vux by Molmil](/molmil-images/mine/6vux) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT388 | Descriptor: | 2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-02-16 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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