5OGL
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![BU of 5ogl by Molmil](/molmil-images/mine/5ogl) | Structure of bacterial oligosaccharyltransferase PglB in complex with an acceptor peptide and an lipid-linked oligosaccharide analog | Descriptor: | MANGANESE (II) ION, SODIUM ION, Substrate mimicking peptide, ... | Authors: | Napiorkowska, M, Boilevin, J, Sovdat, T, Darbre, T, Reymond, J.-L, Aebi, M, Locher, K.P. | Deposit date: | 2017-07-13 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis of lipid-linked oligosaccharide recognition and processing by bacterial oligosaccharyltransferase. Nat. Struct. Mol. Biol., 24, 2017
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5LYS
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![BU of 5lys by Molmil](/molmil-images/mine/5lys) | The crystal structure of 7SK 5'-hairpin - Gold derivative | Descriptor: | 7SK RNA, GOLD ION, MAGNESIUM ION, ... | Authors: | Martinez-Zapien, D, Legrand, P, McEwen, A.G, Pasquali, S, Dock-Bregeon, A.-C. | Deposit date: | 2016-09-28 | Release date: | 2017-01-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | The crystal structure of the 5 functional domain of the transcription riboregulator 7SK. Nucleic Acids Res., 45, 2017
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7EAF
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5LZ2
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![BU of 5lz2 by Molmil](/molmil-images/mine/5lz2) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 3-cyano-~{N}-cyclopropyl-benzenesulfonamide, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ... | Authors: | Woolford, A, Day, P. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5MRR
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![BU of 5mrr by Molmil](/molmil-images/mine/5mrr) | Crystal structure of L1 protease of Lysobacter sp. XL1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A. | Deposit date: | 2016-12-26 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure of L1 protease of Lysobacter sp. XL1 To Be Published
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5MXB
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![BU of 5mxb by Molmil](/molmil-images/mine/5mxb) | Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin | Descriptor: | Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, SODIUM ION, ... | Authors: | Sliwiak, J, Sikorski, M, Jaskolski, M. | Deposit date: | 2017-01-22 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine. FEBS J., 285, 2018
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5MXW
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![BU of 5mxw by Molmil](/molmil-images/mine/5mxw) | Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin and trans-zeatin. | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | Authors: | Sliwiak, J, Sikorski, M, Jaskolski, M. | Deposit date: | 2017-01-25 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine. FEBS J., 285, 2018
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6VOE
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![BU of 6voe by Molmil](/molmil-images/mine/6voe) | HIV-1 wild type protease with GRL-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand and a aminobenzothiazole(Abt)-based P2'-ligand | Descriptor: | (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ... | 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 (1.3 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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5OLH
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![BU of 5olh by Molmil](/molmil-images/mine/5olh) | Structure of the A2A-StaR2-bRIL562-Vipadenant complex at 2.6A obtained from in meso soaking experiments. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | Deposit date: | 2017-07-27 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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3MYV
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5OLG
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![BU of 5olg by Molmil](/molmil-images/mine/5olg) | Structure of the A2A-StaR2-bRIL562-ZM241385 complex at 1.86A obtained from in meso soaking experiments. | Descriptor: | (2R)-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, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | Deposit date: | 2017-07-27 | Release date: | 2018-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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5OLO
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![BU of 5olo by Molmil](/molmil-images/mine/5olo) | Structure of the A2A-StaR2-bRIL562-Tozadenant complex at 3.1A obtained from in meso soaking experiments. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | Deposit date: | 2017-07-28 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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3MQQ
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![BU of 3mqq by Molmil](/molmil-images/mine/3mqq) | The Crystal Structure of the PAS domain in complex with Ethanol of a Transcriptional Regulator in the LuxR family from Burkholderia thailandensis to 1.65A | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, SODIUM ION, ... | Authors: | Stein, A.J, Tesar, C, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-04-28 | Release date: | 2010-06-23 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Crystal Structure of the PAS domain in complex with Ethanol of a Transcriptional Regulator in the LuxR family from Burkholderia thailandensis to 1.65A To be Published
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6VMW
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![BU of 6vmw by Molmil](/molmil-images/mine/6vmw) | Crystal structure of the F316A mutant of GoxA soaked with glycine | Descriptor: | Glycine oxidase, MAGNESIUM ION, SODIUM ION | Authors: | Yukl, E.T. | Deposit date: | 2020-01-28 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Roles of active-site residues in catalysis, substrate binding, cooperativity, and the reaction mechanism of the quinoprotein glycine oxidase. J.Biol.Chem., 295, 2020
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6W0R
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5LVJ
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5LRT
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![BU of 5lrt by Molmil](/molmil-images/mine/5lrt) | Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP and Phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Depupylase, ... | Authors: | Bolten, M, Vahlensieck, C, Lipp, C, Leibundgut, M, Ban, N, Weber-Ban, E. | Deposit date: | 2016-08-19 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Depupylase Dop Requires Inorganic Phosphate in the Active Site for Catalysis. J. Biol. Chem., 292, 2017
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3MS8
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![BU of 3ms8 by Molmil](/molmil-images/mine/3ms8) | Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus. | Descriptor: | GLYCEROL, Intra-cellular xylanase ixt6, SODIUM ION | Authors: | Solomon, V, Zolotnitsky, G, Alhadeff, R, Shoham, Y, Shoham, G. | Deposit date: | 2010-04-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus. TO BE PUBLISHED
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5LVI
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3NDQ
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![BU of 3ndq by Molmil](/molmil-images/mine/3ndq) | Structure of Human TFIIS Domain II | Descriptor: | SODIUM ION, Transcription elongation factor A protein 1 | Authors: | Hu, X.P, Averell, G, Ye, X.Y, Hou, J, Luo, H. | Deposit date: | 2010-06-07 | Release date: | 2011-05-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.933 Å) | Cite: | Structure of Human TFIIS Domain II To be Published
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5OB8
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![BU of 5ob8 by Molmil](/molmil-images/mine/5ob8) | X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole (crystals grown using NaCl) | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Pontillo, N, Ferraro, G, Merlino, A. | Deposit date: | 2017-06-26 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography. Dalton Trans, 46, 2017
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6VO6
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![BU of 6vo6 by Molmil](/molmil-images/mine/6vo6) | Crystal Structure of Cj1427, an Essential NAD-dependent Dehydrogenase from Campylobacter jejuni, in the Presence of NADH and GDP | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, ... | Authors: | Anderson, T.K, Spencer, K.D, Thoden, J.B, Huddleston, J.P, Raushel, F.M, Holden, H.M. | Deposit date: | 2020-01-30 | Release date: | 2020-04-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis of Cj1427, an Essential NAD-Dependent Dehydrogenase for the Biosynthesis of the Heptose Residues in the Capsular Polysaccharides ofCampylobacter jejuni. Biochemistry, 59, 2020
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6VV1
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![BU of 6vv1 by Molmil](/molmil-images/mine/6vv1) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT384 | Descriptor: | 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 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 (2.45 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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5OER
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![BU of 5oer by Molmil](/molmil-images/mine/5oer) | Hen egg-white lysozyme refined against 5000 9 keV diffraction patterns | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C, ... | Authors: | Gorel, A, Schlichting, I. | Deposit date: | 2017-07-09 | Release date: | 2017-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multi-wavelength anomalous diffraction de novo phasing using a two-colour X-ray free-electron laser with wide tunability. Nat Commun, 8, 2017
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5MNU
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![BU of 5mnu by Molmil](/molmil-images/mine/5mnu) | OXA-10 Avibactam complex with bound bromide | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, BROMIDE ION, Beta-lactamase OXA-10, ... | Authors: | Brem, J, McDonough, M, Clifton, I. | Deposit date: | 2016-12-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
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