2WJP
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![BU of 2wjp by Molmil](/molmil-images/mine/2wjp) | CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR | Descriptor: | AZIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Tomasic, T, Zidar, N, Sink, R, Kovac, A, Rupnik, V, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Muller-Premru, M, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelj, D. | Deposit date: | 2009-05-28 | Release date: | 2010-08-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-Dione Inhibitors of Murd Ligase. J.Med.Chem., 53, 2010
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8PT4
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![BU of 8pt4 by Molmil](/molmil-images/mine/8pt4) | beta-Ureidopropionase tetramer | Descriptor: | Beta-ureidopropionase | Authors: | Cederfelt, D, Dobritzsch, D. | Deposit date: | 2023-07-13 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | The Allosteric Regulation of Beta-Ureidopropionase Depends on Fine-Tuned Stability of Active-Site Loops and Subunit Interfaces. Biomolecules, 13, 2023
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3FZW
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![BU of 3fzw by Molmil](/molmil-images/mine/3fzw) | Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin | Descriptor: | EQUILENIN, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Caaveiro, J.M.M, Ringe, D, Petsko, G.A. | Deposit date: | 2009-01-26 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Hydrogen bond coupling in the ketosteroid isomerase active site. Biochemistry, 48, 2009
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1RT1
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![BU of 1rt1 by Molmil](/molmil-images/mine/1rt1) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442 | Descriptor: | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. | Deposit date: | 1996-03-16 | Release date: | 1997-04-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J.Med.Chem., 39, 1996
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4AC5
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![BU of 4ac5 by Molmil](/molmil-images/mine/4ac5) | Lipidic sponge phase crystal structure of the Bl. viridis reaction centre solved using serial femtosecond crystallography | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Johansson, L.C, Arnlund, D, White, T.A, Katona, G, DePonte, D.P, Weierstall, U, Doak, R.B, Shoeman, R.L, Lomb, L, Malmerberg, E, Davidsson, J, Nass, K, Liang, M, Andreasson, J, Aquila, A, Bajt, S, Barthelmess, M, Barty, A, Bogan, M.J, Bostedt, C, Bozek, J.D, Caleman, C, Coffee, R, Coppola, N, Ekeberg, T, Epp, S.W, Erk, B, Fleckenstein, H, Foucar, L, Graafsma, H, Gumprecht, L, Hajdu, J, Hampton, C.Y, Hartmann, R, Hartmann, A, Hauser, G, Hirsemann, H, Holl, P, Hunter, M.S, Kassemeyer, S, Kimmel, N, Kirian, R.A, Maia, F.R.N.C, Marchesini, S, Martin, A.V, Reich, C, Rolles, D, Rudek, B, Rudenko, A, Schlichting, I, Schulz, J, Seibert, M.M, Sierra, R, Soltau, H, Starodub, D, Stellato, F, Stern, S, Struder, L, Timneanu, N, Ullrich, J, Wahlgren, W.Y, Wang, X, Weidenspointner, G, Wunderer, C, Fromme, P, Chapman, H.N, Spence, J.C.H, Neutze, R. | Deposit date: | 2011-12-14 | Release date: | 2012-02-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (8.2 Å) | Cite: | Lipidic Phase Membrane Protein Serial Femtosecond Crystallography. Nat.Methods, 9, 2012
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3C1G
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![BU of 3c1g by Molmil](/molmil-images/mine/3c1g) | Substrate binding, deprotonation and selectivity at the periplasmic entrance of the E. coli ammonia channel AmtB | Descriptor: | ACETATE ION, Ammonia channel, SULFATE ION | Authors: | Javelle, A, Kostrewa, D, Lupo, D, Winkler, F.K. | Deposit date: | 2008-01-23 | Release date: | 2008-03-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Substrate binding, deprotonation, and selectivity at the periplasmic entrance of the Escherichia coli ammonia channel AmtB. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3L1F
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![BU of 3l1f by Molmil](/molmil-images/mine/3l1f) | Bovine AlphaA crystallin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin A chain | Authors: | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2009-12-11 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function. Protein Sci., 19, 2010
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3UUO
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![BU of 3uuo by Molmil](/molmil-images/mine/3uuo) | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | Descriptor: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R. | Deposit date: | 2011-11-28 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
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3L1E
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![BU of 3l1e by Molmil](/molmil-images/mine/3l1e) | Bovine AlphaA crystallin Zinc Bound | Descriptor: | Alpha-crystallin A chain, GLYCEROL, ZINC ION | Authors: | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2009-12-11 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function. Protein Sci., 19, 2010
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3L1G
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![BU of 3l1g by Molmil](/molmil-images/mine/3l1g) | Human AlphaB crystallin | Descriptor: | Alpha-crystallin B chain, SULFATE ION | Authors: | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2009-12-11 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function. Protein Sci., 19, 2010
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1HTT
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![BU of 1htt by Molmil](/molmil-images/mine/1htt) | HISTIDYL-TRNA SYNTHETASE | Descriptor: | ADENOSINE MONOPHOSPHATE, HISTIDINE, HISTIDYL-TRNA SYNTHETASE | Authors: | Arnez, J.G, Harris, D.C, Mitschler, A, Rees, B, Francklyn, C.S, Moras, D. | Deposit date: | 1996-03-09 | Release date: | 1997-01-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of histidyl-tRNA synthetase from Escherichia coli complexed with histidyl-adenylate. EMBO J., 14, 1995
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5BRV
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![BU of 5brv by Molmil](/molmil-images/mine/5brv) | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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1QQ9
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![BU of 1qq9 by Molmil](/molmil-images/mine/1qq9) | STREPTOMYCES GRISEUS AMINOPEPTIDASE COMPLEXED WITH METHIONINE | Descriptor: | AMINOPEPTIDASE, CALCIUM ION, METHIONINE, ... | Authors: | Gilboa, R, Greenblatt, H.M, Perach, M, Spungin-Bialik, A, Lessel, U, Schomburg, D, Blumberg, S, Shoham, G. | Deposit date: | 1999-06-12 | Release date: | 2000-05-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Interactions of Streptomyces griseus aminopeptidase with a methionine product analogue: a structural study at 1.53 A resolution. Acta Crystallogr.,Sect.D, 56, 2000
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3AAT
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![BU of 3aat by Molmil](/molmil-images/mine/3aat) | |
1HCP
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![BU of 1hcp by Molmil](/molmil-images/mine/1hcp) | |
3GMD
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![BU of 3gmd by Molmil](/molmil-images/mine/3gmd) | Structure-based design of 7-Azaindole-pyrrolidines as inhibitors of 11beta-Hydroxysteroid-Dehydrogenase type I | Descriptor: | 2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Valeur, E, Lepifre, F, Roche, D, Christmann-Franck, S, Hillertz, P, Musil, D. | Deposit date: | 2009-03-13 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-based design of 7-azaindole-pyrrolidine amides as inhibitors of 11 beta-hydroxysteroid dehydrogenase type I. Bioorg.Med.Chem.Lett., 22, 2012
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6HUG
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![BU of 6hug by Molmil](/molmil-images/mine/6hug) | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with picrotoxin and megabody Mb38. | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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6HUO
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![BU of 6huo by Molmil](/molmil-images/mine/6huo) | CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with alprazolam (Xanax), GABA and megabody Mb38. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-09 | Release date: | 2019-01-02 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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5HMS
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![BU of 5hms by Molmil](/molmil-images/mine/5hms) | X-ray structure of human recombinant 5-aminolaevulinic acid dehydratase (hrALAD). | Descriptor: | Delta-aminolevulinic acid dehydratase, ZINC ION | Authors: | Butler, D, Erskine, P.T, Cooper, J.B, Shoolingin-Jordan, P.M. | Deposit date: | 2016-01-17 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis. Acta Crystallogr D Struct Biol, 73, 2017
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6TM1
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![BU of 6tm1 by Molmil](/molmil-images/mine/6tm1) | |
6HUJ
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![BU of 6huj by Molmil](/molmil-images/mine/6huj) | CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with picrotoxin, GABA and megabody Mb38. | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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6HBH
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![BU of 6hbh by Molmil](/molmil-images/mine/6hbh) | Echovirus 18 A-particle | Descriptor: | Echovirus 18 capsid protein 1, Echovirus 18 capsid protein 2, Echovirus 18 capsid protein 3 | Authors: | Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P. | Deposit date: | 2018-08-10 | Release date: | 2019-03-20 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Enterovirus particles expel capsid pentamers to enable genome release. Nat Commun, 10, 2019
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7OQY
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![BU of 7oqy by Molmil](/molmil-images/mine/7oqy) | Cryo-EM structure of the cellular negative regulator TFS4 bound to the archaeal RNA polymerase | Descriptor: | Conserved protein, DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit A'', ... | Authors: | Pilotto, S, Fouqueau, T, Lukoyanova, N, Sheppard, C, Lucas-Staat, S, Diaz-Santin, L.M, Matelska, D, Prangishvili, D, Cheung, A.C.M, Werner, F. | Deposit date: | 2021-06-04 | Release date: | 2021-08-25 | Last modified: | 2021-11-03 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structural basis of RNA polymerase inhibition by viral and host factors. Nat Commun, 12, 2021
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7OQ4
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![BU of 7oq4 by Molmil](/molmil-images/mine/7oq4) | Cryo-EM structure of the ATV RNAP Inhibitory Protein (RIP) bound to the DNA-binding channel of the host's RNA polymerase | Descriptor: | Conserved protein, DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit A'', ... | Authors: | Pilotto, S, Fouqueau, T, Lukoyanova, N, Sheppard, C, Lucas-Staat, S, Diaz-Santin, L.M, Matelska, D, Prangishvili, D, Cheung, A.C.M, Werner, F. | Deposit date: | 2021-06-02 | Release date: | 2021-08-25 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural basis of RNA polymerase inhibition by viral and host factors. Nat Commun, 12, 2021
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6QUL
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![BU of 6qul by Molmil](/molmil-images/mine/6qul) | Structure of a bacterial 50S ribosomal subunit in complex with the novel quinoxolidinone antibiotic cadazolid | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Scaiola, A, Leibundgut, M, Boehringer, D, Ritz, D. | Deposit date: | 2019-02-27 | Release date: | 2019-04-10 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of translation inhibition by cadazolid, a novel quinoxolidinone antibiotic. Sci Rep, 9, 2019
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