7RIS
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![BU of 7ris by Molmil](/molmil-images/mine/7ris) | Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound phosphate | Descriptor: | Beta-propeller lactonase, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J. | Deposit date: | 2021-07-20 | Release date: | 2023-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone. J.Biol.Chem., 299, 2022
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6X3V
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![BU of 6x3v by Molmil](/molmil-images/mine/6x3v) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus etomidate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Etomidate, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
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5MBD
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![BU of 5mbd by Molmil](/molmil-images/mine/5mbd) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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5JX4
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![BU of 5jx4 by Molmil](/molmil-images/mine/5jx4) | Crystal structure of E36-G37del mutant of the Bacillus caldolyticus cold shock protein. | Descriptor: | Cold shock protein CspB, SULFATE ION | Authors: | Carvajal, A, Castro-Fernandez, V, Cabrejos, D, Fuentealba, M, Pereira, H.M, Vallejos, G, Cabrera, R, Garratt, R.C, Komives, E.A, Ramirez-Sarmiento, C.A, Babul, J. | Deposit date: | 2016-05-12 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unusual dimerization of a BcCsp mutant leads to reduced conformational dynamics. FEBS J., 284, 2017
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6WCO
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![BU of 6wco by Molmil](/molmil-images/mine/6wco) | |
6ZL6
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8UO9
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![BU of 8uo9 by Molmil](/molmil-images/mine/8uo9) | Structure of synaptic vesicle protein 2A in complex with a nanobody | Descriptor: | (4R)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one, 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants. Nat.Struct.Mol.Biol., 2024
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8VKT
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![BU of 8vkt by Molmil](/molmil-images/mine/8vkt) | Crystallographic structure of dimetalated DapE from Enterococcus faecium | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Probable succinyl-diaminopimelate desuccinylase, ... | Authors: | Gonzalez-Segura, L, Diaz-Vilchis, A, Terrazas-Lopez, M, Diaz-Sanchez, A.G. | Deposit date: | 2024-01-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | The three-dimensional structure of DapE from Enterococcus faecium reveals new insights into DapE/ArgE subfamily ligand specificity. Int.J.Biol.Macromol., 270, 2024
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6YW5
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![BU of 6yw5 by Molmil](/molmil-images/mine/6yw5) | The structure of the small subunit of the mitoribosome from Neurospora crassa | Descriptor: | 16S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial, ... | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | Deposit date: | 2020-04-29 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi. Nat Commun, 11, 2020
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8JHU
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![BU of 8jhu by Molmil](/molmil-images/mine/8jhu) | Legionella effector protein SidI | Descriptor: | Legionella pneumophila effector protein SidI | Authors: | Wang, L, Subramanian, A, Mukherjee, S, Walter, P. | Deposit date: | 2023-05-25 | Release date: | 2023-08-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response. Nat.Cell Biol., 25, 2023
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5MHK
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![BU of 5mhk by Molmil](/molmil-images/mine/5mhk) | ICP4 DNA-binding domain in complex with 19mer DNA duplex from its own promoter | Descriptor: | CHLORIDE ION, DNA (5'-D(*GP*CP*TP*CP*CP*GP*TP*GP*TP*GP*GP*AP*CP*GP*AP*TP*CP*GP*G)-3'), ICP4 DNA BINDING DOMAIN, ... | Authors: | Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P. | Deposit date: | 2016-11-24 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The herpes viral transcription factor ICP4 forms a novel DNA recognition complex. Nucleic Acids Res., 45, 2017
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6X0K
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5M99
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![BU of 5m99 by Molmil](/molmil-images/mine/5m99) | Functional Characterization and Crystal Structure of Thermostable Amylase from Thermotoga petrophila, reveals High Thermostability and an Archaic form of Dimerization | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-amylase, ... | Authors: | Hameed, U, Price, I, Mirza, O.A. | Deposit date: | 2016-11-01 | Release date: | 2017-07-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Functional characterization and crystal structure of thermostable amylase from Thermotoga petrophila, reveals high thermostability and an unusual form of dimerization. Biochim. Biophys. Acta, 1865, 2017
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6WKP
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![BU of 6wkp by Molmil](/molmil-images/mine/6wkp) | Crystal structure of RNA-binding domain of nucleocapsid phosphoprotein from SARS CoV-2, monoclinic crystal form | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | Authors: | Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-16 | Release date: | 2020-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
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5MBJ
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![BU of 5mbj by Molmil](/molmil-images/mine/5mbj) | Structure of a bacterial light-regulated adenylyl cyclase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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6ZA7
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![BU of 6za7 by Molmil](/molmil-images/mine/6za7) | Structure of the apo transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Morera, S, Vigouroux, A, Legrand, P. | Deposit date: | 2020-06-04 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum. Nucleic Acids Res., 49, 2021
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5MA6
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![BU of 5ma6 by Molmil](/molmil-images/mine/5ma6) | GFP-binding DARPin 3G124nc | Descriptor: | 1,2-ETHANEDIOL, 3G124nc, Green fluorescent protein, ... | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | Deposit date: | 2016-11-03 | Release date: | 2017-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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6ZAD
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![BU of 6zad by Molmil](/molmil-images/mine/6zad) | PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | Deposit date: | 2020-06-05 | Release date: | 2020-07-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta. Acs Med.Chem.Lett., 11, 2020
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6X5H
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![BU of 6x5h by Molmil](/molmil-images/mine/6x5h) | Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP | Descriptor: | 1,2-ETHANEDIOL, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ... | Authors: | Kadirvelraj, R, Wood, Z.A. | Deposit date: | 2020-05-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases. J.Biol.Chem., 295, 2020
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6ZBA
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![BU of 6zba by Molmil](/molmil-images/mine/6zba) | Crystal structure of PDE4D2 in complex with inhibitor LEO39652 | Descriptor: | 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ... | Authors: | Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D. | Deposit date: | 2020-06-08 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis. J.Med.Chem., 63, 2020
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7U0A
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5K9C
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![BU of 5k9c by Molmil](/molmil-images/mine/5k9c) | Crystal structure of human dihydroorotate dehydrogenase with ML390 | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. | Deposit date: | 2016-05-31 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. ACS Med Chem Lett, 7, 2016
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5NCD
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![BU of 5ncd by Molmil](/molmil-images/mine/5ncd) | Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2-amino-5-(diaminomethylideneamino)-N-hydroxypentanamide | Descriptor: | ACETATE ION, CITRIC ACID, N-HYDROXY-L-ARGININAMIDE, ... | Authors: | Giastas, P, Andreou, A, Eliopoulos, E.E. | Deposit date: | 2017-03-03 | Release date: | 2018-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.447 Å) | Cite: | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors. Biochemistry, 57, 2018
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8VZ0
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![BU of 8vz0 by Molmil](/molmil-images/mine/8vz0) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-400 | Descriptor: | (1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
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6WN9
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![BU of 6wn9 by Molmil](/molmil-images/mine/6wn9) | Structure of Staphylococcus aureus peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain, Zn-bound | Descriptor: | Acetyltransferase, ZINC ION | Authors: | Jones, C.J, Sychantha, D, Howell, P.L, Clarke, A.J. | Deposit date: | 2020-04-22 | Release date: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for theO-acetyltransferase function of the extracytoplasmic domain of OatA fromStaphylococcus aureus. J.Biol.Chem., 295, 2020
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