5T6Y
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![BU of 5t6y by Molmil](/molmil-images/mine/5t6y) | HLA-B*57:01 presenting TSTFEDVKILAF | Descriptor: | ACETATE ION, Beta-2-microglobulin, Decapeptide: THR-SER-THR-PHE-GLU-ASP-VAL-LYS-ILE-LEU-ALA-PHE, ... | Authors: | Pymm, P, Rossjohn, J, Vivian, J.P. | Deposit date: | 2016-09-02 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape. Nat. Struct. Mol. Biol., 24, 2017
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7B3P
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![BU of 7b3p by Molmil](/molmil-images/mine/7b3p) | Notum complex with ARUK3003775 | Descriptor: | 1,2-ETHANEDIOL, 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2020-12-01 | Release date: | 2021-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J.Med.Chem., 65, 2022
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3J5L
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![BU of 3j5l by Molmil](/molmil-images/mine/3j5l) | Structure of the E. coli 50S subunit with ErmBL nascent chain | Descriptor: | 23S ribsomal RNA, 5'-R(*CP*(MA6))-3', 5'-R(*CP*CP*A)-3', ... | Authors: | Arenz, S, Ramu, H, Gupta, P, Berninghausen, O, Beckmann, R, Vazquez-Laslop, N, Mankin, A.S, Wilson, D.N. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Molecular basis for erythromycin-dependent ribosome stalling during translation of the ErmBL leader peptide. Nat Commun, 5, 2014
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5K4V
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![BU of 5k4v by Molmil](/molmil-images/mine/5k4v) | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ refined to 2.2 angstroms | Descriptor: | ACETATE ION, GLYCEROL, L-threonine 3-dehydrogenase, ... | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | Deposit date: | 2016-05-22 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallogr D Struct Biol, 74, 2018
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7B2G
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![BU of 7b2g by Molmil](/molmil-images/mine/7b2g) | Crystal structure of R120Q GDAP1 mutant | Descriptor: | GLYCEROL, Ganglioside-induced differentiation-associated protein 1 | Authors: | Nguyen, G.T.T, Sutinen, A, Kursula, P. | Deposit date: | 2020-11-26 | Release date: | 2021-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Conserved intramolecular networks in GDAP1 are closely connected to CMT-linked mutations and protein stability. Plos One, 18, 2023
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7B3X
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![BU of 7b3x by Molmil](/molmil-images/mine/7b3x) | Notum complex with ARUK3003748 | Descriptor: | 6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Fish, P, Jones, E.Y. | Deposit date: | 2020-12-01 | Release date: | 2021-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J.Med.Chem., 65, 2022
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5K69
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![BU of 5k69 by Molmil](/molmil-images/mine/5k69) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T224 | Descriptor: | (2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2 | Authors: | Lamichhane, G, Ginell, S.L, Kumar, P. | Deposit date: | 2016-05-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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6PU4
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![BU of 6pu4 by Molmil](/molmil-images/mine/6pu4) | MicroED structure of proteinase K recorded on Falcon III | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Hattne, J, Martynowycz, M.W, Penzcek, P.A, Gonen, T. | Deposit date: | 2019-07-17 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2.1 Å) | Cite: | MicroED with the Falcon III direct electron detector. Iucrj, 6, 2019
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6B2S
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![BU of 6b2s by Molmil](/molmil-images/mine/6b2s) | Crystal structure of Xanthomonas campestris OleA H285N | Descriptor: | 3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION | Authors: | Jensen, M.R, Goblirsch, B.R, Esler, M.A, Christenson, J.K, Mohamed, F.A, Wackett, L.P, Wilmot, C.M. | Deposit date: | 2017-09-20 | Release date: | 2018-02-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The role of OleA His285 in orchestration of long-chain acyl-coenzyme A substrates. FEBS Lett., 592, 2018
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6F3C
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![BU of 6f3c by Molmil](/molmil-images/mine/6f3c) | The cytotoxic [Pt(H2bapbpy)] platinum complex interacting with the CGTACG hexamer | Descriptor: | DNA (5'-D(*GP*TP*AP*CP*G)-3'), MAGNESIUM ION, [Pt(H2bapbpy)] platinum | Authors: | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F. | Deposit date: | 2017-11-28 | Release date: | 2019-05-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Induction of a Four-Way Junction Structure in the DNA Palindromic Hexanucleotide 5'-d(CGTACG)-3' by a Mononuclear Platinum Complex. Angew.Chem.Int.Ed.Engl., 58, 2019
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5YI6
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![BU of 5yi6 by Molmil](/molmil-images/mine/5yi6) | CRISPR associated protein Cas6 | Descriptor: | CRISPR-associated endoribonuclease Cas6 1, GLYCEROL, PHOSPHATE ION | Authors: | Ko, T.P, Hsieh, T.J, Chen, Y. | Deposit date: | 2017-10-03 | Release date: | 2018-09-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Expression, Purification, Crystallization, and X-ray Structural Analysis of CRISPR-Associated Protein Cas6 from Methanocaldococcus jannaschii Crystals, 7, 2018
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5AJP
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![BU of 5ajp by Molmil](/molmil-images/mine/5ajp) | Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MANGANESE (II) ION, MUCIN, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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2V9W
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![BU of 2v9w by Molmil](/molmil-images/mine/2v9w) | Complex structure of Sulfolobus solfataricus DPO4 and DNA duplex containing a hydrophobic thymine isostere 2,4-difluorotoluene nucleotide in the template strand | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *CP*TP*G)-3', 5'-D(*TP*TP*CP*AP*GP*DFTP*AP*GP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Irimia, A, Pallan, P.S, Egli, M. | Deposit date: | 2007-08-27 | Release date: | 2007-10-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and Activity of Y-Class DNA Polymerase Dpo4 from Sulfolobus Solfataricus with Templates Containing the Hydrophobic Thymine Analog 2,4-Difluorotoluene. J.Biol.Chem., 282, 2007
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6ZYO
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![BU of 6zyo by Molmil](/molmil-images/mine/6zyo) | Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine D-syn-1b | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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8D5C
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![BU of 8d5c by Molmil](/molmil-images/mine/8d5c) | anti-HIV-1 gp120-sCD4 complex antibody CG10 Fab in complex with B41-sCD4 | Descriptor: | CG10 Fab heavy chain, CG10 Fab light chain, Envelope glycoprotein gp160, ... | Authors: | Yang, Z, Bjorkman, P.J, Gershoni, J.M. | Deposit date: | 2022-06-04 | Release date: | 2022-11-16 | Last modified: | 2023-01-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Antibody Recognition of CD4-Induced Open HIV-1 Env Trimers. J.Virol., 96, 2022
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1JP4
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![BU of 1jp4 by Molmil](/molmil-images/mine/1jp4) | Crystal Structure of an Enzyme Displaying both Inositol-Polyphosphate 1-Phosphatase and 3'-Phosphoadenosine-5'-Phosphate Phosphatase Activities | Descriptor: | 3'(2'),5'-bisphosphate nucleotidase, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ... | Authors: | Patel, S, Yenush, L, Rodriguez, P.L, Serrano, R, Blundell, T.L. | Deposit date: | 2001-08-01 | Release date: | 2001-08-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of an enzyme displaying both inositol-polyphosphate-1-phosphatase and 3'-phosphoadenosine-5'-phosphate phosphatase activities: a novel target of lithium therapy. J.Mol.Biol., 315, 2002
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1S4P
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![BU of 1s4p by Molmil](/molmil-images/mine/1s4p) | Crystal structure of yeast alpha1,2-mannosyltransferase Kre2p/Mnt1p: ternary complex with GDP/Mn and methyl-alpha-mannoside acceptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Lobsanov, Y.D, Romero, P.A, Sleno, B, Yu, B, Yip, P, Herscovics, A, Howell, P.L. | Deposit date: | 2004-01-16 | Release date: | 2004-05-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of Kre2p/Mnt1p: A YEAST {alpha}1,2-MANNOSYLTRANSFERASE INVOLVED IN MANNOPROTEIN BIOSYNTHESIS J.Biol.Chem., 279, 2004
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1G4P
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![BU of 1g4p by Molmil](/molmil-images/mine/1g4p) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | 4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE, MAGNESIUM ION, THIAMIN PHOSPHATE SYNTHASE | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-10-27 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
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7ACU
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![BU of 7acu by Molmil](/molmil-images/mine/7acu) | |
8CRV
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![BU of 8crv by Molmil](/molmil-images/mine/8crv) | Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, Carbamate kinase, FORMIC ACID, ... | Authors: | Kim, Y, Skarina, T, Mesa, N, Stogios, P, Savchenko, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-05-11 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa To Be Published
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7THH
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![BU of 7thh by Molmil](/molmil-images/mine/7thh) | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | Authors: | Osipiuk, J, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-01-11 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein to be published
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6ZMZ
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![BU of 6zmz by Molmil](/molmil-images/mine/6zmz) | UDPG-bound Trehalose transferase from Thermoproteus uzoniensis | Descriptor: | DI(HYDROXYETHYL)ETHER, Trehalose phosphorylase/synthase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | Deposit date: | 2020-07-05 | Release date: | 2020-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars. Acs Catalysis, 10, 2020
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7TOV
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![BU of 7tov by Molmil](/molmil-images/mine/7tov) | |
6ZN1
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![BU of 6zn1 by Molmil](/molmil-images/mine/6zn1) | Trehalose transferase bound to alpha-D-glucopyranosyl-beta-galactopyranose from Thermoproteus uzoniensis | Descriptor: | DI(HYDROXYETHYL)ETHER, THIOCYANATE ION, Trehalose phosphorylase/synthase, ... | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | Deposit date: | 2020-07-06 | Release date: | 2021-01-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars. ACS Catal, 10, 2020
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1FY3
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![BU of 1fy3 by Molmil](/molmil-images/mine/1fy3) | [G175Q]HBP, A mutant of human heparin binding protein (CAP37) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Kastrup, J.S, Linde, V, Pedersen, A.K, Stoffer, B, Iversen, L.F, Larsen, I.K, Rasmussen, P.B, Flodgaard, H.J, Bjorn, S.E. | Deposit date: | 2000-09-28 | Release date: | 2001-09-28 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Two mutants of human heparin binding protein (CAP37): toward the understanding of the nature of lipid A/LPS and BPTI binding. Proteins, 42, 2001
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