6C8V
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![BU of 6c8v by Molmil](/molmil-images/mine/6c8v) | X-ray structure of PqqE from Methylobacterium extorquens | Descriptor: | Coenzyme PQQ synthesis protein E, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER | Authors: | Gizzi, A.S, Grove, T.L, Bonanno, J.B, Almo, S.C. | Deposit date: | 2018-01-25 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray and EPR Characterization of the Auxiliary Fe-S Clusters in the Radical SAM Enzyme PqqE. Biochemistry, 57, 2018
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1AZD
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![BU of 1azd by Molmil](/molmil-images/mine/1azd) | CONCANAVALIN FROM CANAVALIA BRASILIENSIS | Descriptor: | CALCIUM ION, CONBR, MANGANESE (II) ION | Authors: | Sanz-Aparicio, J, Hermoso, J, Grangeiro, T.B, Calvete, J.J, Cavada, B.S. | Deposit date: | 1997-11-16 | Release date: | 1998-04-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of Canavalia brasiliensis lectin suggests a correlation between its quaternary conformation and its distinct biological properties from Concanavalin A. FEBS Lett., 405, 1997
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3VHA
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![BU of 3vha by Molmil](/molmil-images/mine/3vha) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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4ZB7
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![BU of 4zb7 by Molmil](/molmil-images/mine/4zb7) | |
1ARC
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![BU of 1arc by Molmil](/molmil-images/mine/1arc) | |
4ZBD
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![BU of 4zbd by Molmil](/molmil-images/mine/4zbd) | |
6DPY
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![BU of 6dpy by Molmil](/molmil-images/mine/6dpy) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
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5H5Z
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![BU of 5h5z by Molmil](/molmil-images/mine/5h5z) | Crystal structure of bony fish MHC class I, peptide and B2m II | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide chain | Authors: | Chen, Z, Zhang, N, Qi, J, Li, X, Chen, R, Wang, Z, Gao, F.G, Xia, C. | Deposit date: | 2016-11-10 | Release date: | 2017-11-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The Mechanism of beta 2m Molecule-Induced Changes in the Peptide Presentation Profile in a Bony Fish. Iscience, 23, 2020
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6EA4
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![BU of 6ea4 by Molmil](/molmil-images/mine/6ea4) | ERAP2 bound to Aryl Sulfonamide Uncompetitive Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Maben, Z, Stern, L.J. | Deposit date: | 2018-08-02 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of human ER aminopeptidase 1 bound to aryl sulfonamide inhibitor. To Be Published
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1U2F
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![BU of 1u2f by Molmil](/molmil-images/mine/1u2f) | SOLUTION STRUCTURE OF THE FIRST RNA-BINDING DOMAIN OF HU2AF65 | Descriptor: | PROTEIN (SPLICING FACTOR U2AF 65 KD SUBUNIT) | Authors: | Ito, T, Muto, Y, Green, M.R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 1999-05-26 | Release date: | 1999-08-20 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structures of the first and second RNA-binding domains of human U2 small nuclear ribonucleoprotein particle auxiliary factor (U2AF(65)). EMBO J., 18, 1999
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3QGG
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![BU of 3qgg by Molmil](/molmil-images/mine/3qgg) | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, RNA-directed RNA polymerase, ... | Authors: | Sheriff, S. | Deposit date: | 2011-01-24 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase. Bioorg.Med.Chem.Lett., 21, 2011
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3VHC
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![BU of 3vhc by Molmil](/molmil-images/mine/3vhc) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | Descriptor: | 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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4N6F
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![BU of 4n6f by Molmil](/molmil-images/mine/4n6f) | Crystal structure of Amycolatopsis orientalis BexX complexed with G6P | Descriptor: | CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | Deposit date: | 2013-10-11 | Release date: | 2014-05-14 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis. Nature, 509, 2014
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6DPX
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![BU of 6dpx by Molmil](/molmil-images/mine/6dpx) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
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3VHD
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![BU of 3vhd by Molmil](/molmil-images/mine/3vhd) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840 | Descriptor: | 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione, Heat shock protein HSP 90-alpha | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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2P4W
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![BU of 2p4w by Molmil](/molmil-images/mine/2p4w) | Crystal structure of heat shock regulator from Pyrococcus furiosus | Descriptor: | SULFATE ION, Transcriptional regulatory protein arsR family | Authors: | Liu, W, Vierke, G, Panjikar, S, Thomm, M, Ladenstein, R. | Deposit date: | 2007-03-13 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Archaeal Heat Shock Regulator from Pyrococcus furiosus: A Molecular Chimera Representing Eukaryal and Bacterial Features. J.Mol.Biol., 369, 2007
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5T49
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![BU of 5t49 by Molmil](/molmil-images/mine/5t49) | Crystal structure of SeMet derivative BhGH81 | Descriptor: | 1,2-ETHANEDIOL, BH0236 protein, PHOSPHATE ION | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2016-08-29 | Release date: | 2017-06-28 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure. Structure, 25, 2017
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3MB8
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![BU of 3mb8 by Molmil](/molmil-images/mine/3mb8) | Crystal structure of purine nucleoside phosphorylase from toxoplasma gondii in complex with immucillin-H | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, GLYCEROL, PHOSPHATE ION, ... | Authors: | Ho, M, Almo, S.C, Schramm, V.L. | Deposit date: | 2010-03-25 | Release date: | 2011-04-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition and Structure of Toxoplasma gondii Purine Nucleoside Phosphorylase. Eukaryot Cell, 13, 2014
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3Q6S
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![BU of 3q6s by Molmil](/molmil-images/mine/3q6s) | |
2B7B
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![BU of 2b7b by Molmil](/molmil-images/mine/2b7b) | Yeast guanine nucleotide exchange factor eEF1Balpha K205A mutant in complex with eEF1A and GDP | Descriptor: | Elongation factor 1-alpha, GUANOSINE-5'-DIPHOSPHATE, elongation factor-1 beta | Authors: | Pittman, Y.R, Valente, L, Jeppesen, M.G, Andersen, G.R, Patel, S, Kinzy, T.G. | Deposit date: | 2005-10-04 | Release date: | 2006-05-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mg2+ and a key lysine modulate exchange activity of eukaryotic translation elongation factor 1B alpha J.Biol.Chem., 281, 2006
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2B7C
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![BU of 2b7c by Molmil](/molmil-images/mine/2b7c) | Yeast guanine nucleotide exchange factor eEF1Balpha K205A mutant in complex with eEF1A | Descriptor: | Elongation factor 1-alpha, elongation factor-1 beta | Authors: | Pittman, Y.R, Valente, L, Jeppesen, M.G, Andersen, G.R, Patel, S, Kinzy, T.G. | Deposit date: | 2005-10-04 | Release date: | 2006-05-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mg2+ and a key lysine modulate exchange activity of eukaryotic translation elongation factor 1B alpha J.Biol.Chem., 281, 2006
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5T4A
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![BU of 5t4a by Molmil](/molmil-images/mine/5t4a) | Crystal structure of BhGH81 in complex with laminaro-hexaose | Descriptor: | 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ... | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2016-08-29 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure. Structure, 25, 2017
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5T4C
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![BU of 5t4c by Molmil](/molmil-images/mine/5t4c) | Crystal structure of BhGH81 mutant in complex with laminaro-hexaose | Descriptor: | 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ... | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2016-08-29 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure. Structure, 25, 2017
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3QQU
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![BU of 3qqu by Molmil](/molmil-images/mine/3qqu) | Cocrystal structure of unphosphorylated igf with pyrimidine 8 | Descriptor: | Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine | Authors: | Huang, X. | Deposit date: | 2011-02-16 | Release date: | 2011-04-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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5T4G
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![BU of 5t4g by Molmil](/molmil-images/mine/5t4g) | Crystal structure of BhGH81 in complex with laminarin | Descriptor: | 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ... | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2016-08-29 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure. Structure, 25, 2017
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