1AQ0
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![BU of 1aq0 by Molmil](/molmil-images/mine/1aq0) | BARLEY 1,3-1,4-BETA-GLUCANASE IN MONOCLINIC SPACE GROUP | Descriptor: | 1,3-1,4-BETA-GLUCANASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION | Authors: | Mueller, J.J, Thomsen, K.K, Heinemann, U. | Deposit date: | 1997-08-05 | Release date: | 1998-02-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of barley 1,3-1,4-beta-glucanase at 2.0-A resolution and comparison with Bacillus 1,3-1,4-beta-glucanase. J.Biol.Chem., 273, 1998
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1P8V
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![BU of 1p8v by Molmil](/molmil-images/mine/1p8v) | CRYSTAL STRUCTURE OF THE COMPLEX OF PLATELET RECEPTOR GPIB-ALPHA AND ALPHA-THROMBIN AT 2.6A | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIISOPROPYL PHOSPHONATE, ... | Authors: | Dumas, J.J, Kumar, R, Seehra, J, Somers, W.S, Mosyak, L. | Deposit date: | 2003-05-07 | Release date: | 2003-07-22 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the GpIbalpha-Thrombin Complex Essential for Platelet Aggregation Science, 301, 2003
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5HE0
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![BU of 5he0 by Molmil](/molmil-images/mine/5he0) | Bovine GRK2 in complex with Gbetagamma subunits and CCG215022 | Descriptor: | (4S)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cato, M.C, Waninger-Saroni, J, Tesmer, J.J.G. | Deposit date: | 2016-01-05 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors. J.Med.Chem., 59, 2016
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5HE3
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![BU of 5he3 by Molmil](/molmil-images/mine/5he3) | Bovine GRK2 in complex with Gbetagamma subunits and CCG224411 | Descriptor: | (4~{S})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cato, M.C, Tesmer, J.J.G. | Deposit date: | 2016-01-05 | Release date: | 2016-05-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors. J.Med.Chem., 59, 2016
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7B83
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![BU of 7b83 by Molmil](/molmil-images/mine/7b83) | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | Descriptor: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-12-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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1B9V
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![BU of 1b9v by Molmil](/molmil-images/mine/1b9v) | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE | Descriptor: | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zahao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 1999-02-15 | Release date: | 1999-02-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999
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1AYF
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![BU of 1ayf by Molmil](/molmil-images/mine/1ayf) | BOVINE ADRENODOXIN (OXIDIZED) | Descriptor: | ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL | Authors: | Mueller, A, Mueller, J.J, Heinemann, U. | Deposit date: | 1997-11-03 | Release date: | 1998-12-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | New aspects of electron transfer revealed by the crystal structure of a truncated bovine adrenodoxin, Adx(4-108). Structure, 6, 1998
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1P1Y
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![BU of 1p1y by Molmil](/molmil-images/mine/1p1y) | Crystal structure of a continuous three-dimensional DNA lattice from d(GGACAGATGGGAG) | Descriptor: | 5'-D(*GP*GP*AP*(CBR)P*AP*GP*AP*(BRU)P*GP*GP*GP*AP*G)-3', MAGNESIUM ION | Authors: | Paukstelis, P.J, Nowakowski, J, Birktoft, J.J, Seeman, N.C. | Deposit date: | 2003-04-14 | Release date: | 2004-06-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a continuous three-dimensional DNA lattice. Chem.Biol., 11, 2004
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1ONB
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1P4P
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![BU of 1p4p by Molmil](/molmil-images/mine/1p4p) | Outer Surface Protein B of B. burgdorferi: crystal structure of the C-terminal fragment | Descriptor: | Outer surface protein B | Authors: | Becker, M, Bunikis, J, Lade, B.D, Dunn, J.J, Barbour, A.G, Lawson, C.L. | Deposit date: | 2003-04-23 | Release date: | 2004-05-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Investigation of Borrelia burgdorferi OspB, a BactericidalFab Target. J.Biol.Chem., 280, 2005
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6LSN
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![BU of 6lsn by Molmil](/molmil-images/mine/6lsn) | Crystal structure of tubulin-inhibitor complex | Descriptor: | 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Gang, L, Wang, Y.X, Cheng, J.J. | Deposit date: | 2020-01-17 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.445 Å) | Cite: | Design, Synthesis, and Bioevaluation of Pyrazolo[1,5-a]Pyrimidine Derivatives as Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site with Potent Anticancer Activities To Be Published
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7B24
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![BU of 7b24 by Molmil](/molmil-images/mine/7b24) | |
7B1Y
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7B23
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![BU of 7b23 by Molmil](/molmil-images/mine/7b23) | |
7B20
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7B1V
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7B25
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1NX9
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![BU of 1nx9 by Molmil](/molmil-images/mine/1nx9) | Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin | Descriptor: | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, GLYCEROL, alpha-amino acid ester hydrolase | Authors: | Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2003-02-10 | Release date: | 2004-03-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acetobacter turbidans {alpha}-Amino Acid Ester Hydrolase: HOW A SINGLE MUTATION IMPROVES AN ANTIBIOTIC-PRODUCING ENZYME. J.Biol.Chem., 281, 2006
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8FEZ
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1O0B
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8FFO
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8FHH
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8FHI
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![BU of 8fhi by Molmil](/molmil-images/mine/8fhi) | Wildtype rabbit TRPV5 in nanodiscs in complex with oleoyl coenzyme A, Open stated | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), ... | Authors: | De Jesus-Perez, J.J, Moiseenkova-Bell, V.Y. | Deposit date: | 2022-12-14 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural basis of the activation of TRPV5 channels by long-chain acyl-Coenzyme-A. Nat Commun, 14, 2023
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1BRA
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![BU of 1bra by Molmil](/molmil-images/mine/1bra) | |
1NIN
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![BU of 1nin by Molmil](/molmil-images/mine/1nin) | PLASTOCYANIN FROM ANABAENA VARIABILIS, NMR, 20 STRUCTURES | Descriptor: | COPPER (II) ION, PLASTOCYANIN | Authors: | Badsberg, U, Jorgensen, A.M.M, Gesmar, H, Led, J.J, Hammerstad-Petersen, J.M, Ulstrup, J. | Deposit date: | 1996-03-13 | Release date: | 1996-10-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of reduced plastocyanin from the blue-green alga Anabaena variabilis. Biochemistry, 35, 1996
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