8FCF
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![BU of 8fcf by Molmil](/molmil-images/mine/8fcf) | Crystal structure of PLVAP CC1 in I212121 space group | Descriptor: | Plasmalemma vesicle-associated protein | Authors: | Chang, T.H, Hsieh, F.L, Gu, X, Kavran, J, Gabelli, S.B, Nathans, J. | Deposit date: | 2022-12-01 | Release date: | 2023-03-22 | Last modified: | 2023-04-12 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural insights into plasmalemma vesicle-associated protein (PLVAP): Implications for vascular endothelial diaphragms and fenestrae. Proc.Natl.Acad.Sci.USA, 120, 2023
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6YVD
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![BU of 6yvd by Molmil](/molmil-images/mine/6yvd) | Head segment of the S.cerevisiae condensin holocomplex in presence of ATP | Descriptor: | Condensin complex subunit 2, Condensin complex subunit 3, Structural maintenance of chromosomes protein 2, ... | Authors: | Merkel, F, Haering, C.H, Hassler, M, Lee, B.G, Lowe, J. | Deposit date: | 2020-04-28 | Release date: | 2020-07-22 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism. Nat.Struct.Mol.Biol., 27, 2020
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2X0N
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![BU of 2x0n by Molmil](/molmil-images/mine/2x0n) | Structure of glycosomal glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma brucei determined from Laue data | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, GLYCOSOMAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Vellieux, F.M.D, Hajdu, J, Hol, W.G.J. | Deposit date: | 2009-12-16 | Release date: | 2009-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Glycosomal Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma Brucei Determined from Laue Data. Proc.Natl.Acad.Sci.USA, 90, 1993
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6WTT
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![BU of 6wtt by Molmil](/molmil-images/mine/6wtt) | Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Sacco, M, Ma, C, Chen, Y, Wang, J. | Deposit date: | 2020-05-03 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease. Cell Res., 30, 2020
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6U25
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![BU of 6u25 by Molmil](/molmil-images/mine/6u25) | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST | Descriptor: | GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | Authors: | Sack, J. | Deposit date: | 2019-08-19 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. J.Med.Chem., 62, 2019
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6GL2
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![BU of 6gl2 by Molmil](/molmil-images/mine/6gl2) | Structure of ZgEngAGH5_4 wild type at 1.2 Angstrom resolution | Descriptor: | Endoglucanase, family GH5, IMIDAZOLE | Authors: | Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S. | Deposit date: | 2018-05-22 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis. Biochem. J., 475, 2018
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6YU2
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![BU of 6yu2 by Molmil](/molmil-images/mine/6yu2) | Crystal structure of MhsT in complex with L-isoleucine | Descriptor: | ISOLEUCINE, SODIUM ION, Sodium-dependent transporter, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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7CL0
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![BU of 7cl0 by Molmil](/molmil-images/mine/7cl0) | Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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3CEL
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![BU of 3cel by Molmil](/molmil-images/mine/3cel) | ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH CELLOBIOSE BOUND IN THE ACTIVE SITE | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | Deposit date: | 1996-08-24 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei. J.Mol.Biol., 264, 1996
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7CL1
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![BU of 7cl1 by Molmil](/molmil-images/mine/7cl1) | Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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6YU3
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![BU of 6yu3 by Molmil](/molmil-images/mine/6yu3) | Crystal structure of MhsT in complex with L-phenylalanine | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLYCEROL, PHENYLALANINE, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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6GXS
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![BU of 6gxs by Molmil](/molmil-images/mine/6gxs) | Crystal structure of CV39L lectin from Chromobacterium violaceum at 1.8 A resolution | Descriptor: | 1,2-ETHANEDIOL, CV39L lectin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sykorova, P, Novotna, J, Demo, G, Pompidor, G, Dubska, E, Komarek, J, Fujdiarova, E, Haronikova, L, Varrot, A, Imberty, A, Shilova, N, Bovin, N, Pokorna, M, Wimmerova, M. | Deposit date: | 2018-06-27 | Release date: | 2019-12-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of novel lectins from Burkholderia pseudomallei and Chromobacterium violaceum with seven-bladed beta-propeller fold. Int.J.Biol.Macromol., 152, 2020
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6YZK
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![BU of 6yzk by Molmil](/molmil-images/mine/6yzk) | Carborane closo-pentyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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6YZR
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![BU of 6yzr by Molmil](/molmil-images/mine/6yzr) | Carborane nido-butyl-sulfonamide in complex with CA II | Descriptor: | Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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3D4A
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![BU of 3d4a by Molmil](/molmil-images/mine/3d4a) | |
8FBC
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![BU of 8fbc by Molmil](/molmil-images/mine/8fbc) | Crystal structure of P450T2 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pereira, J.H, Huang, J, Keasling, J, Adams, P.D. | Deposit date: | 2022-11-29 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Complete integration of carbene-transfer chemistry into biosynthesis. Nature, 617, 2023
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6QBS
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![BU of 6qbs by Molmil](/molmil-images/mine/6qbs) | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | Descriptor: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | Deposit date: | 2018-12-21 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K. J. Am. Chem. Soc., 141, 2019
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6YVU
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![BU of 6yvu by Molmil](/molmil-images/mine/6yvu) | Condensin complex from S.cerevisiae ATP-free apo non-engaged state | Descriptor: | Condensin complex subunit 1,Condensin complex subunit 1,Ycs4, Condensin complex subunit 2,Condensin complex subunit 2,Brn1, Structural maintenance of chromosomes protein 2,Structural maintenance of chromosomes protein 2,Smc2, ... | Authors: | Lee, B.-G, Cawood, C, Gutierrez-Escribano, P, Nakane, T, Merkel, F, Hassler, M, Aragon, L, Haering, C.H, Lowe, J. | Deposit date: | 2020-04-28 | Release date: | 2020-07-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism. Nat.Struct.Mol.Biol., 27, 2020
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6QF3
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![BU of 6qf3 by Molmil](/molmil-images/mine/6qf3) | X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ... | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
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6GW7
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![BU of 6gw7 by Molmil](/molmil-images/mine/6gw7) | The CTD of HpDprA, a DNA binding Winged Helix domain which do not bind dsDNA | Descriptor: | DNA protecting protein DprA | Authors: | Lisboa, J, Celma, L, Sanchez, D, Marquis, M, Andreani, J, Guerois, R, Ochsenbein, F, Durand, D, Marsin, S, Cuniasse, P, Radicella, J.P, Quevillon-Cheruel, S. | Deposit date: | 2018-06-22 | Release date: | 2019-04-24 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The C-terminal domain of HpDprA is a DNA-binding winged helix domain that does not bind double-stranded DNA. Febs J., 286, 2019
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3D6M
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![BU of 3d6m by Molmil](/molmil-images/mine/3d6m) | |
5D39
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![BU of 5d39 by Molmil](/molmil-images/mine/5d39) | Transcription factor-DNA complex | Descriptor: | DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6 | Authors: | Li, J, Niu, F, Ouyang, S, Liu, Z. | Deposit date: | 2015-08-06 | Release date: | 2016-08-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for DNA recognition by STAT6 Proc.Natl.Acad.Sci.USA, 113, 2016
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6QF4
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![BU of 6qf4 by Molmil](/molmil-images/mine/6qf4) | X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
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3D6F
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5D7L
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![BU of 5d7l by Molmil](/molmil-images/mine/5d7l) | Structure of human MR1-5-OP-RU in complex with human MAV36 TCR | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, MAV36 TCR Alpha Chain, ... | Authors: | Keller, A.N, Rossjohn, J. | Deposit date: | 2015-08-14 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition. Immunity, 44, 2016
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