4Y67
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![BU of 4y67 by Molmil](/molmil-images/mine/4y67) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2015-02-12 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
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4Y6P
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![BU of 4y6p by Molmil](/molmil-images/mine/4y6p) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2015-02-13 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
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5KAR
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![BU of 5kar by Molmil](/molmil-images/mine/5kar) | Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ... | Authors: | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | Deposit date: | 2016-06-02 | Release date: | 2016-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.142 Å) | Cite: | Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity. J.Biol.Chem., 291, 2016
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6SWX
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![BU of 6swx by Molmil](/molmil-images/mine/6swx) | Leishmania major methionyl-tRNA synthetase in complex with an allosteric inhibitor | Descriptor: | METHIONINE, Putative methionyl-tRNA synthetase, methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate | Authors: | Robinson, D.A, Torrie, L.S, Shepherd, S.M, De Rycker, M, Thomas, M.G, Wyatt, P.G. | Deposit date: | 2019-09-24 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of an Allosteric Binding Site in Kinetoplastid Methionyl-tRNA Synthetase. Acs Infect Dis., 6, 2020
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5KB0
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![BU of 5kb0 by Molmil](/molmil-images/mine/5kb0) | Crystal Structure of a Tris-thiolate Pb(II) Complex in a de Novo Three-stranded Coiled Coil Peptide | Descriptor: | CHLORIDE ION, LEAD (II) ION, Pb(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, ... | Authors: | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2016-06-02 | Release date: | 2016-08-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
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5KBP
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![BU of 5kbp by Molmil](/molmil-images/mine/5kbp) | The crystal structure of an alpha-mannosidase from Enterococcus faecalis V583 | Descriptor: | Glycosyl hydrolase, family 38, SULFATE ION | Authors: | Tan, K, Chhor, G, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-06-03 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of an alpha-mannosidase from Enterococcus faecalis V583 To Be Published
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7OJM
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![BU of 7ojm by Molmil](/molmil-images/mine/7ojm) | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2021-05-16 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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6NMY
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![BU of 6nmy by Molmil](/molmil-images/mine/6nmy) | A Cytokine-receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit beta, ... | Authors: | Dhagat, U, Kan, W.L, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W. | Deposit date: | 2019-01-13 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.301 Å) | Cite: | Signalling conformation of cell surface receptor To Be Published
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5UYQ
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![BU of 5uyq by Molmil](/molmil-images/mine/5uyq) | 70S ribosome bound with near-cognate ternary complex base-paired to A site codon, closed 30S (Structure III-nc) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A. | Deposit date: | 2017-02-24 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ensemble cryo-EM elucidates the mechanism of translation fidelity Nature, 546, 2017
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5M4A
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![BU of 5m4a by Molmil](/molmil-images/mine/5m4a) | Neutral trehalase Nth1 from Saccharomyces cerevisiae in complex with trehalose | Descriptor: | Neutral trehalase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | Authors: | Smidova, A, Alblova, M, Obsilova, V, Obsil, T. | Deposit date: | 2016-10-18 | Release date: | 2017-11-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular basis of the 14-3-3 protein-dependent activation of yeast neutral trehalase Nth1. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6GXY
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![BU of 6gxy by Molmil](/molmil-images/mine/6gxy) | Tryparedoxin from Trypanosoma brucei in complex with CFT | Descriptor: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, Tryparedoxin | Authors: | Bader, N, Wagner, A, Hellmich, U, Schindelin, H. | Deposit date: | 2018-06-27 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. Angew. Chem. Int. Ed. Engl., 58, 2019
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8AA3
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![BU of 8aa3 by Molmil](/molmil-images/mine/8aa3) | Core SusCD transporter units from the inactive levan utilisome in the presence of levan fructo-oligosaccharides DP 15-25 | Descriptor: | MAGNESIUM ION, SusC homolog, SusD homolog, ... | Authors: | White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B. | Deposit date: | 2022-06-29 | Release date: | 2023-06-07 | Last modified: | 2023-06-21 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes. Nature, 618, 2023
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6SZ5
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![BU of 6sz5 by Molmil](/molmil-images/mine/6sz5) | |
6GNK
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![BU of 6gnk by Molmil](/molmil-images/mine/6gnk) | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form bound to Carba-NAD | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. Nat Commun, 9, 2018
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8ODW
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![BU of 8odw by Molmil](/molmil-images/mine/8odw) | Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Francois, R.M.M, Fraley, A.E, Piel, J, Weissman, K.J, Gruez, A. | Deposit date: | 2023-03-09 | Release date: | 2023-05-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Modular Oxime Formation by a trans-AT Polyketide Synthase. Angew.Chem.Int.Ed.Engl., 62, 2023
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8A9Y
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![BU of 8a9y by Molmil](/molmil-images/mine/8a9y) | Substrate-free levan utilisation machinery (utilisome) | Descriptor: | DUF4960 domain-containing protein, Glycoside hydrolase family 32, MAGNESIUM ION, ... | Authors: | White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B. | Deposit date: | 2022-06-29 | Release date: | 2023-06-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes. Nature, 618, 2023
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8TV1
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![BU of 8tv1 by Molmil](/molmil-images/mine/8tv1) | Structure of the EphA2 LBDCRD bound to FabS1C_L1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ... | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | Deposit date: | 2023-08-17 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation To be published
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7TO5
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![BU of 7to5 by Molmil](/molmil-images/mine/7to5) | HIV-1 wild type protease with GRL-05816A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 1] | Descriptor: | (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-01-23 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands. Chemmedchem, 17, 2022
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7TO6
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![BU of 7to6 by Molmil](/molmil-images/mine/7to6) | HIV-1 wild type protease with GRL-01717A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 2] | Descriptor: | (1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-01-23 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands. Chemmedchem, 17, 2022
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8AA1
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![BU of 8aa1 by Molmil](/molmil-images/mine/8aa1) | Core SusCD transporter units from the levan utilisome with levan fructo-oligosaccharides DP 8-12 | Descriptor: | MAGNESIUM ION, SusC homolog, SusD homolog, ... | Authors: | White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B. | Deposit date: | 2022-06-29 | Release date: | 2023-06-07 | Last modified: | 2023-06-21 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes. Nature, 618, 2023
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6VL4
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![BU of 6vl4 by Molmil](/molmil-images/mine/6vl4) | Crystal Structure of mPGES-1 bound to DG-031 | Descriptor: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, Prostaglandin E synthase, TETRAETHYLENE GLYCOL, ... | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | Deposit date: | 2020-01-22 | Release date: | 2020-12-02 | Last modified: | 2020-12-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP). Biochim Biophys Acta Gen Subj, 1865, 2020
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8AA0
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![BU of 8aa0 by Molmil](/molmil-images/mine/8aa0) | Levan utilisation machinery (utilisome) with levan fructo-oligosaccharides DP 8-12 | Descriptor: | DUF4960 domain-containing protein, Glycoside hydrolase family 32, MAGNESIUM ION, ... | Authors: | White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B. | Deposit date: | 2022-06-29 | Release date: | 2023-06-07 | Last modified: | 2023-06-21 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes. Nature, 618, 2023
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8AA2
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![BU of 8aa2 by Molmil](/molmil-images/mine/8aa2) | Inactive levan utilisation machinery (utilisome) in the presence of levan fructo-oligosaccharides DP 15-25 | Descriptor: | DUF4960 domain-containing protein, Glycoside hydrolase family 32, MAGNESIUM ION, ... | Authors: | White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B. | Deposit date: | 2022-06-29 | Release date: | 2023-06-07 | Last modified: | 2023-06-21 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes. Nature, 618, 2023
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6GQI
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![BU of 6gqi by Molmil](/molmil-images/mine/6gqi) | |
6SI1
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![BU of 6si1 by Molmil](/molmil-images/mine/6si1) | p53 cancer mutant Y220H | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ... | Authors: | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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