4UC9
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![BU of 4uc9 by Molmil](/molmil-images/mine/4uc9) | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal dipeptide of the Phosphoprotein | Descriptor: | ASPARTIC ACID, NUCLEOPROTEIN, PHENYLALANINE, ... | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | Deposit date: | 2014-12-03 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus. J.Virol., 89, 2015
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4UHC
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![BU of 4uhc by Molmil](/molmil-images/mine/4uhc) | Structural studies of a thermophilic esterase from Thermogutta terrifontis (Native) | Descriptor: | CHLORIDE ION, ESTERASE | Authors: | Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A. | Deposit date: | 2015-03-24 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis. FEBS J., 282, 2015
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4UIR
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![BU of 4uir by Molmil](/molmil-images/mine/4uir) | Structure of oleate hydratase from Elizabethkingia meningoseptica | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ... | Authors: | Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K. | Deposit date: | 2015-04-02 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica. Chembiochem, 16, 2015
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4UN0
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![BU of 4un0 by Molmil](/molmil-images/mine/4un0) | Crystal structure of the human CDK12-cyclinK complex | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Chaikuad, A, Goubin, S, Krojer, T, Sorrell, F.J, Nowak, R, Williams, E, Kopec, J, Mahajan, R.P, Burgess-Brown, N, Carpenter, E.P, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-05-22 | Release date: | 2014-06-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding. Sci.Rep., 5, 2015
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7PWG
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![BU of 7pwg by Molmil](/molmil-images/mine/7pwg) | Cryo-EM structure of large subunit of Giardia lamblia ribosome at 2.7 A resolution | Descriptor: | 60S ribosomal protein L13, 60S ribosomal protein L18a, 60S ribosomal protein L27, ... | Authors: | Hiregange, D.G, Rivalta, A, Bose, T, Breiner-Goldstein, E, Samiya, S, Cimicata, G, Kulakova, L, Zimmerman, E, Bashan, A, Herzberg, O, Yonath, A. | Deposit date: | 2021-10-06 | Release date: | 2022-04-20 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Cryo-EM structure of the ancient eukaryotic ribosome from the human parasite Giardia lamblia. Nucleic Acids Res., 50, 2022
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4UIB
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![BU of 4uib by Molmil](/molmil-images/mine/4uib) | Crystal structure of 3p in complex with tafCPB | Descriptor: | (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ... | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | Deposit date: | 2015-03-27 | Release date: | 2015-06-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin. J.Med.Chem., 58, 2015
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7PWO
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![BU of 7pwo by Molmil](/molmil-images/mine/7pwo) | Cryo-EM structure of Giardia lamblia ribosome at 2.75 A resolution | Descriptor: | 40S ribosomal protein S21, 40S ribosomal protein S26, 40S ribosomal protein S30, ... | Authors: | Hiregange, D.G, Rivalta, A, Bose, T, Breiner-Goldstein, E, Samiya, S, Cimicata, G, Kulakova, L, Zimmerman, E, Bashan, A, Herzberg, O, Yonath, A. | Deposit date: | 2021-10-07 | Release date: | 2022-04-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Cryo-EM structure of the ancient eukaryotic ribosome from the human parasite Giardia lamblia. Nucleic Acids Res., 50, 2022
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4UCO
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![BU of 4uco by Molmil](/molmil-images/mine/4uco) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCR
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![BU of 4ucr by Molmil](/molmil-images/mine/4ucr) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCS
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![BU of 4ucs by Molmil](/molmil-images/mine/4ucs) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UMO
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4UMR
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![BU of 4umr by Molmil](/molmil-images/mine/4umr) | Structure of MELK in complex with inhibitors | Descriptor: | 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | Deposit date: | 2014-05-20 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015
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4UVI
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![BU of 4uvi by Molmil](/molmil-images/mine/4uvi) | Discovery of pyrimidine isoxazoles InhA in complex with compound 23 | Descriptor: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | Deposit date: | 2014-08-05 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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7PRQ
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![BU of 7prq by Molmil](/molmil-images/mine/7prq) | Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with choline. | Descriptor: | 1,2-ETHANEDIOL, CHOLINE ION, GLYCEROL, ... | Authors: | Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T. | Deposit date: | 2021-09-22 | Release date: | 2022-05-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine. Mbio, 13, 2022
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4UUH
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![BU of 4uuh by Molmil](/molmil-images/mine/4uuh) | X-ray crystal structure of human TNKS in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ... | Authors: | Oliver, A.W, Rajasekaran, M.B, Pearl, L.H. | Deposit date: | 2014-07-28 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1- Ones as Potent and Selective Tankyrase Inhibitors Medchemcommm, 6, 2015
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4UV8
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![BU of 4uv8 by Molmil](/molmil-images/mine/4uv8) | LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | Deposit date: | 2014-08-05 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A. Eur.J.Med.Chem., 86C, 2014
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7PSG
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![BU of 7psg by Molmil](/molmil-images/mine/7psg) | Structure of the ligand binding domain of the PacA (ECA2226) chemoreceptor of Pectobacterium atrosepticum SCRI1043 in complex with betaine. | Descriptor: | GLYCEROL, Methyl-accepting chemotaxis protein, TRIMETHYL GLYCINE | Authors: | Gavira, J.A, Matilla, M.A, Velando, F, Krell, T. | Deposit date: | 2021-09-23 | Release date: | 2022-05-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine. Mbio, 13, 2022
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7PUS
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![BU of 7pus by Molmil](/molmil-images/mine/7pus) | ERK5 in complex with Pyrrole Carboxamide scaffold | Descriptor: | 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide, Mitogen-activated protein kinase 7 | Authors: | Tucker, J.A, Martin, M.P, Endicott, J.A, Noble, M.E.N. | Deposit date: | 2021-09-30 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor. J.Med.Chem., 65, 2022
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4UUK
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![BU of 4uuk by Molmil](/molmil-images/mine/4uuk) | Human dynamin 1 K44A superconstricted polymer stabilized with GTP strand 2 | Descriptor: | DYNAMIN-1 | Authors: | Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E. | Deposit date: | 2014-07-29 | Release date: | 2014-08-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (12.5 Å) | Cite: | A Dynamin Mutant Defines a Superconstricted Prefission State. Cell Rep., 8, 2014
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4V1R
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![BU of 4v1r by Molmil](/molmil-images/mine/4v1r) | Structure of a selenomethionine derivative of the GH76 alpha- mannanase BT2949 Bacteroides thetaiotaomicron | Descriptor: | 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, S,R MESO-TARTARIC ACID | Authors: | Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J. | Deposit date: | 2014-10-02 | Release date: | 2015-02-11 | Last modified: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron Acta Crystallogr.,Sect.D, 71, 2015
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4V52
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![BU of 4v52 by Molmil](/molmil-images/mine/4v52) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with neomycin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D. | Deposit date: | 2007-06-15 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structural basis for aminoglycoside inhibition of bacterial ribosome recycling. Nat.Struct.Mol.Biol., 14, 2007
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4V7W
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![BU of 4v7w by Molmil](/molmil-images/mine/4v7w) | Structure of the Thermus thermophilus ribosome complexed with chloramphenicol. | Descriptor: | 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Bulkley, D.P, Innis, C.A, Blaha, G, Steitz, T.A. | Deposit date: | 2010-08-16 | Release date: | 2014-07-09 | Last modified: | 2014-12-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Revisiting the structures of several antibiotics bound to the bacterial ribosome. Proc.Natl.Acad.Sci.USA, 107, 2010
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7PWF
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![BU of 7pwf by Molmil](/molmil-images/mine/7pwf) | Cryo-EM structure of small subunit of Giardia lamblia ribosome at 2.9 A resolution | Descriptor: | 40S ribosomal protein S21, 40S ribosomal protein S25, 40S ribosomal protein S26, ... | Authors: | Hiregange, D.G, Rivalta, A, Bose, T, Breiner-Goldstein, E, Samiya, S, Cimicata, G, Kulakova, L, Zimmerman, E, Bashan, A, Herzberg, O, Yonath, A. | Deposit date: | 2021-10-06 | Release date: | 2022-05-25 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Cryo-EM structure of the ancient eukaryotic ribosome from the human parasite Giardia lamblia. Nucleic Acids Res., 50, 2022
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4V6W
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![BU of 4v6w by Molmil](/molmil-images/mine/4v6w) | Structure of the D. melanogaster 80S ribosome | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 2S ribosomal RNA, ... | Authors: | Anger, A.M, Armache, J.-P, Berninghausen, O, Habeck, M, Subklewe, M, Wilson, D.N, Beckmann, R. | Deposit date: | 2013-02-27 | Release date: | 2014-07-09 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Structures of the human and Drosophila 80S ribosome. Nature, 497, 2013
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4V42
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![BU of 4v42 by Molmil](/molmil-images/mine/4v42) | Crystal structure of the ribosome at 5.5 A resolution. | Descriptor: | 30S 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Yusupov, M.M, Yusupova, G.Z, Baucom, A, Lieberman, K, Earnest, T.N, Cate, J.H.D, Noller, H.F. | Deposit date: | 2001-03-30 | Release date: | 2014-07-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Crystal structure of the ribosome at 5.5 A resolution Science, 292, 2001
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