6G65
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4YEW
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![BU of 4yew by Molmil](/molmil-images/mine/4yew) | HUab-19bp | Descriptor: | DNA-binding protein HU-alpha, DNA-binding protein HU-beta, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-24 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.683 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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6G6C
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3ICV
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![BU of 3icv by Molmil](/molmil-images/mine/3icv) | Structural Consequences of a Circular Permutation on Lipase B from Candida Antartica | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B | Authors: | Horton, J.R, Qian, Z, Jia, D, Lutz, S, Cheng, X. | Deposit date: | 2009-07-18 | Release date: | 2009-10-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation. J.Mol.Biol., 393, 2009
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4YPI
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![BU of 4ypi by Molmil](/molmil-images/mine/4ypi) | Structure of Ebola virus nucleoprotein N-terminal fragment bound to a peptide derived from Ebola VP35 | Descriptor: | Nucleoprotein, Polymerase cofactor VP35 | Authors: | Leung, D.W, Borek, D.M, Binning, J.M, Otwinowski, Z, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-03-13 | Release date: | 2015-04-08 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (3.71 Å) | Cite: | An Intrinsically Disordered Peptide from Ebola Virus VP35 Controls Viral RNA Synthesis by Modulating Nucleoprotein-RNA Interactions. Cell Rep, 11, 2015
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5KAO
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![BU of 5kao by Molmil](/molmil-images/mine/5kao) | Crystal structure of wild type HIV-1 protease in complex with GRL-10413 | Descriptor: | [(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate, protease | Authors: | Yedidi, R.S, Delino, N.S, Das, D, Kaufman, J.D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2016-06-01 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Modified P1 Moiety Enhances In Vitro Antiviral Activity against Various Multidrug-Resistant HIV-1 Variants and In Vitro Central Nervous System Penetration Properties of a Novel Nonpeptidic Protease Inhibitor, GRL-10413. Antimicrob.Agents Chemother., 60, 2016
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7ZJF
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![BU of 7zjf by Molmil](/molmil-images/mine/7zjf) | R399E, a mutated form of GDF5, for disease modification of osteoarthritis | Descriptor: | Growth/differentiation factor 5 | Authors: | Gigout, A, Wekmann, D, Menges, S, Brenneis, C, Henson, F, Cowan, K.J, Musil, D, Thudium, C, Guehring, H, Michaelis, M, Kleinschmidt-Doerr, K. | Deposit date: | 2022-04-10 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | R399E, A Mutated Form of Growth and Differentiation Factor 5, for Disease Modification of Osteoarthritis. Arthritis Rheumatol, 75, 2023
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6N86
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6VHV
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![BU of 6vhv by Molmil](/molmil-images/mine/6vhv) | Klebsiella oxytoca NpsA in complex with 3-hydroxyanthranilyl-AMSN | Descriptor: | 5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine, NpsA Adenylation Domain | Authors: | Kreitler, D.F, Gulick, A.M. | Deposit date: | 2020-01-10 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca. Acs Infect Dis., 6, 2020
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4YQY
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![BU of 4yqy by Molmil](/molmil-images/mine/4yqy) | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028) (TARGET EFI-513936) in its APO form | Descriptor: | MAGNESIUM ION, Putative Dehydrogenase | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-13 | Release date: | 2015-03-25 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028, TARGET EFI-513936) in its APO form To be published
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8FG5
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![BU of 8fg5 by Molmil](/molmil-images/mine/8fg5) | Apo mouse acidic mammalian chitinase, catalytic domain at 100 K | Descriptor: | Acidic mammalian chitinase, MAGNESIUM ION | Authors: | Diaz, R.E, Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2022-12-12 | Release date: | 2023-03-01 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase. Biorxiv, 2024
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5M37
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![BU of 5m37 by Molmil](/molmil-images/mine/5m37) | The molecular tweezer CLR01 stabilizes a disordered protein-protein interface | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ... | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2016-10-14 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface. J. Am. Chem. Soc., 139, 2017
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5KCE
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![BU of 5kce by Molmil](/molmil-images/mine/5kce) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative | Descriptor: | (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.847 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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6WDW
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6WEP
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![BU of 6wep by Molmil](/molmil-images/mine/6wep) | Crystal structure of TS-DHFR from Cryptosporidium hominis with Apo-TS site | Descriptor: | Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Czyzyk, D.J, Ruiz, V.G, Kumar, V.P, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-04-02 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Targeting the TS dimer interface in bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa: Virtual screening identifies novel TS allosteric inhibitor Bioorg.Med.Chem.Lett., 30, 2020
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5F8A
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![BU of 5f8a by Molmil](/molmil-images/mine/5f8a) | Crystal structure of the ternary EcoRV-DNA-Lu complex with uncleaved DNA substrate. Lanthanide binding to EcoRV-DNA complex inhibits cleavage. | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*T)-3'), LUTETIUM (III) ION, ... | Authors: | Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L. | Deposit date: | 2015-12-09 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex. Biochemistry, 55, 2016
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6WGW
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![BU of 6wgw by Molmil](/molmil-images/mine/6wgw) | CYP101D1 D259E Hydroxycamphor bound | Descriptor: | 5-EXO-HYDROXYCAMPHOR, CAMPHOR, Cytochrome P450 101D1, ... | Authors: | Amaya, J.A, Poulos, T.L, Batabyal, D. | Deposit date: | 2020-04-06 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Biochemistry, 59, 2020
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4YPD
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![BU of 4ypd by Molmil](/molmil-images/mine/4ypd) | Crystal Structure of DAPK1 catalytic domain in complex with the hinge binding fragment 4-methylpyridazine | Descriptor: | 4-methylpyridazine, CHLORIDE ION, Death-associated protein kinase 1, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | Deposit date: | 2015-03-12 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of DAPK1 catalytic domain in complex with hinge binding fragments To Be Published
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5EI5
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8A9G
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![BU of 8a9g by Molmil](/molmil-images/mine/8a9g) | Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1 | Descriptor: | 14-3-3 protein zeta/delta, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid, ... | Authors: | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | Deposit date: | 2022-06-28 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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8FOM
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![BU of 8fom by Molmil](/molmil-images/mine/8fom) | Crystal structure of tRNA^Lys(SUU) bound to UAA codon in the ribosomal P site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Nguyen, H.A, Hoffer, E.D, Maehigashi, T, Fagan, C.E, Dunham, C.M. | Deposit date: | 2023-01-02 | Release date: | 2023-03-29 | Last modified: | 2023-04-26 | Method: | X-RAY DIFFRACTION (3.58 Å) | Cite: | Structural basis for reduced ribosomal A-site fidelity in response to P-site codon-anticodon mismatches. J.Biol.Chem., 299, 2023
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7ZPJ
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![BU of 7zpj by Molmil](/molmil-images/mine/7zpj) | Mammalian Dicer in the "pre-dicing state" with pre-miR-15a substrate and TARBP2 subunit | Descriptor: | 59-nt precursor of miR-15a, Endoribonuclease Dicer, RISC-loading complex subunit TARBP2 isoform 1 | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | Deposit date: | 2022-04-27 | Release date: | 2022-12-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer. Mol.Cell, 82, 2022
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4YTN
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![BU of 4ytn by Molmil](/molmil-images/mine/4ytn) | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with N-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide | Descriptor: | Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | Deposit date: | 2015-03-18 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | New Insights into the Design of Inhibitors Targeted for Parasitic Anaerobic Energy Metabolism To Be Published
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8OVV
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6PQA
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