5LAN
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6M44
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![BU of 6m44 by Molmil](/molmil-images/mine/6m44) | 355 bp di-nucleosome harboring cohesive DNA termini (high cryoprotectant) | Descriptor: | CALCIUM ION, DNA (355-MER), Histone H2A type 1-B/E, ... | Authors: | Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A. | Deposit date: | 2020-03-05 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.81 Å) | Cite: | Near-atomic resolution structures of interdigitated nucleosome fibres. Nat Commun, 11, 2020
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5ICM
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![BU of 5icm by Molmil](/molmil-images/mine/5icm) | 17beta-hydroxysteroid dehydrogenase type 14 in complex with a non-steroidal inhibitor | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2016-02-23 | Release date: | 2016-07-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor. J.Med.Chem., 59, 2016
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5IFO
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![BU of 5ifo by Molmil](/molmil-images/mine/5ifo) | X-ray structure of HSA-Myr-KP1019 | Descriptor: | MYRISTIC ACID, RUTHENIUM ION, Serum albumin | Authors: | Bijelic, A, Theiner, S, Keppler, B.K, Rompel, A. | Deposit date: | 2016-02-26 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray Structure Analysis of Indazolium trans-[Tetrachlorobis(1H-indazole)ruthenate(III)] (KP1019) Bound to Human Serum Albumin Reveals Two Ruthenium Binding Sites and Provides Insights into the Drug Binding Mechanism. J.Med.Chem., 59, 2016
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6O52
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7R6R
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![BU of 7r6r by Molmil](/molmil-images/mine/7r6r) | Crystal Structure of a Mycobacteriophage Cluster A2 Immunity Repressor:DNA Complex | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*TP*TP*GP*AP*CP*AP*GP*CP*CP*AP*CP*CP*GP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*CP*GP*GP*TP*GP*GP*CP*TP*GP*TP*CP*AP*AP*GP*CP*GP*GP*G)-3'), Immunity repressor | Authors: | McGinnis, R.J, Brambley, C.A, Stamey, B, Green, W.C, Gragg, K.N, Cafferty, E.R, Terwilliger, T.C, Hammel, M, Hollis, T.J, Miller, J.M, Gainey, M.D, Wallen, J.R. | Deposit date: | 2021-06-23 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | A monomeric mycobacteriophage immunity repressor utilizes two domains to recognize an asymmetric DNA sequence. Nat Commun, 13, 2022
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6QZD
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![BU of 6qzd by Molmil](/molmil-images/mine/6qzd) | HLA-DR1 with SGP Influenza Matrix Peptide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Greenshields-Watson, A, Rizkallah, P.J. | Deposit date: | 2019-03-11 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features. Cell Rep, 32, 2020
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8GB1
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![BU of 8gb1 by Molmil](/molmil-images/mine/8gb1) | Crystal structure of SAMHD1 dimer bound to deoxyguanosine linked inhibitor | Descriptor: | 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION | Authors: | Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding. Acs Chem.Biol., 18, 2023
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6WZX
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![BU of 6wzx by Molmil](/molmil-images/mine/6wzx) | GID4 in complex with IGLWKS peptide | Descriptor: | Glucose-induced degradation protein 4 homolog, ILE-GLY-LEU-TRP-LYS peptide, UNKNOWN ATOM OR ION | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-14 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Recognition of nonproline N-terminal residues by the Pro/N-degron pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
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5L3F
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![BU of 5l3f by Molmil](/molmil-images/mine/5l3f) | LSD1-CoREST1 in complex with polymyxin B | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ... | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | Deposit date: | 2016-04-10 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
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6ZMQ
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![BU of 6zmq by Molmil](/molmil-images/mine/6zmq) | Cytochrome c Heme Lyase CcmF | Descriptor: | Cytochrome C-type biogenesis protein ccmF, DODECYL-BETA-D-MALTOSIDE, PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Brausemann, A, Einsle, O. | Deposit date: | 2020-07-03 | Release date: | 2021-05-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Architecture of the membrane-bound cytochrome c heme lyase CcmF. Nat.Chem.Biol., 17, 2021
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7ROA
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![BU of 7roa by Molmil](/molmil-images/mine/7roa) | Crystal structure of EntV136 from Enterococcus faecalis | Descriptor: | EntV | Authors: | Stogios, P.J, Evdokimova, E, Kim, Y, Garsin, D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2021-07-30 | Release date: | 2022-10-12 | Last modified: | 2023-01-25 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural and functional analysis of EntV reveals a 12 amino acid fragment protective against fungal infections. Nat Commun, 13, 2022
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5IH4
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![BU of 5ih4 by Molmil](/molmil-images/mine/5ih4) | Human Casein Kinase 1 isoform delta apo (kinase domain) | Descriptor: | Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, SULFATE ION, ... | Authors: | Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H. | Deposit date: | 2016-02-29 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1. Cell Chem Biol, 23, 2016
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7MKV
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6QOH
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![BU of 6qoh by Molmil](/molmil-images/mine/6qoh) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 11 (2-Amino-6-chloropurine) | Descriptor: | 6-chloroguanine, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6X1P
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6U00
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![BU of 6u00 by Molmil](/molmil-images/mine/6u00) | Crystal Structure of Fungal RNA Kinase | Descriptor: | PHOSPHATE ION, tRNA ligase | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | Deposit date: | 2019-08-13 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor. Nucleic Acids Res., 47, 2019
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6QOU
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![BU of 6qou by Molmil](/molmil-images/mine/6qou) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 24 (Indole-6-boronic acid) | Descriptor: | 1~{H}-indol-6-ylboronic acid, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6U0T
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![BU of 6u0t by Molmil](/molmil-images/mine/6u0t) | Protofilament Ribbon Flagellar Proteins Rib43a-S | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ichikawa, M, Khalifa, A.A.Z, Vargas, J, Basu, K, Bui, K.H. | Deposit date: | 2019-08-14 | Release date: | 2019-09-25 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.16 Å) | Cite: | Tubulin lattice in cilia is in a stressed form regulated by microtubule inner proteins. Proc.Natl.Acad.Sci.USA, 116, 2019
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6M3V
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![BU of 6m3v by Molmil](/molmil-images/mine/6m3v) | 355 bp di-nucleosome harboring cohesive DNA termini | Descriptor: | CALCIUM ION, DNA (355-MER), Histone H2A type 1-B/E, ... | Authors: | Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A. | Deposit date: | 2020-03-04 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.6 Å) | Cite: | Near-atomic resolution structures of interdigitated nucleosome fibres. Nat Commun, 11, 2020
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6QNZ
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![BU of 6qnz by Molmil](/molmil-images/mine/6qnz) | Crystal structure of the site-specific DNA nickase N.BspD6I E418A Mutant | Descriptor: | GLYCEROL, Heterodimeric restriction endonuclease R.BspD6I large subunit, PHOSPHATE ION | Authors: | Artyukh, R.I, Kachalova, G.S, Yunusova, A.K, Gabdulkhakov, A.G, Fatkhullin, B.F, Atanasov, B.P, Perevyazova, T.A, Popov, A.N, Zheleznaya, L.A. | Deposit date: | 2019-02-12 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The key role of E418 carboxyl group in the formation of Nt.BspD6I nickase active site: Structural and functional properties of Nt.BspD6I E418A mutant. J.Struct.Biol., 210, 2020
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6QPA
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![BU of 6qpa by Molmil](/molmil-images/mine/6qpa) | Halothiobacillus neapolitanus sulfur oxygenase reductase | Descriptor: | FE (III) ION, SULFATE ION, Sulfur oxygenase/reductase | Authors: | Frazao, C, Klezin, A, Poell, U, Veith, A, Ruehl, P, Coelho, R. | Deposit date: | 2019-02-13 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiple sulfane modifications in active-site cysteine thiols of two sulfur oxygenase reductases and analysis of substrate/product channels To Be Published
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5KVX
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![BU of 5kvx by Molmil](/molmil-images/mine/5kvx) | T. danielli thaumatin at 100K, Data set 2 | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-15 | Release date: | 2016-08-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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6M5D
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![BU of 6m5d by Molmil](/molmil-images/mine/6m5d) | Human serum albumin (apo form) | Descriptor: | PHOSPHATE ION, Serum albumin | Authors: | Ito, S, Senoo, A, Nagatoishi, S, Yamamoto, M, Tsumoto, K, Wakui, N. | Deposit date: | 2020-03-10 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis for the Binding Mechanism of Human Serum Albumin Complexed with Cyclic Peptide Dalbavancin. J.Med.Chem., 63, 2020
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7MR7
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![BU of 7mr7 by Molmil](/molmil-images/mine/7mr7) | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain-containing protein 4 | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-05-07 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity. J.Med.Chem., 65, 2022
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