5HGI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hgi by Molmil](/molmil-images/mine/5hgi) | Crystal structure of apo human IRE1 alpha | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ... | Authors: | Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J. | Deposit date: | 2016-01-08 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.584 Å) | Cite: | Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands. Acs Chem.Biol., 11, 2016
|
|
5E0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e0y by Molmil](/molmil-images/mine/5e0y) | |
3EQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3eqn by Molmil](/molmil-images/mine/3eqn) | Crystal structure of beta-1,3-glucanase from Phanerochaete chrysosporium (Lam55A) | Descriptor: | ACETATE ION, GLYCEROL, Glucan 1,3-beta-glucosidase, ... | Authors: | Ishida, T, Fushinobu, S, Kawai, R, Kitaoka, M, Igarashi, K, Samejima, M. | Deposit date: | 2008-10-01 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of glycoside hydrolase family 55 beta -1,3-glucanase from the basidiomycete Phanerochaete chrysosporium J.Biol.Chem., 284, 2009
|
|
6G0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g0e by Molmil](/molmil-images/mine/6g0e) | BRD4 (BD1) in complex with APSC-derived ligands | Descriptor: | 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one, Bromodomain-containing protein 4, FORMIC ACID, ... | Authors: | Pretzel, J, Humbeck, L. | Deposit date: | 2018-03-18 | Release date: | 2020-01-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.613 Å) | Cite: | Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma Chemrxiv, 2019
|
|
4IP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ip4 by Molmil](/molmil-images/mine/4ip4) | Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg | Descriptor: | CARBON DIOXIDE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-01-09 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.128 Å) | Cite: | Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with mg To be Published
|
|
6G0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g0g by Molmil](/molmil-images/mine/6g0g) | |
4IOX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iox by Molmil](/molmil-images/mine/4iox) | The structure of the herpes simplex virus DNA-packaging motor pUL15 C-terminal nuclease domain provides insights into cleavage of concatemeric viral genome precursors | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | Authors: | Selvarajan Sigamani, S, Zhao, H, Kamau, Y, Tang, L. | Deposit date: | 2013-01-08 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.458 Å) | Cite: | The Structure of the Herpes Simplex Virus DNA-Packaging Terminase pUL15 Nuclease Domain Suggests an Evolutionary Lineage among Eukaryotic and Prokaryotic Viruses. J.Virol., 87, 2013
|
|
7CNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cng by Molmil](/molmil-images/mine/7cng) | Structure of CDK5R1 bound FEM1B | Descriptor: | Protein fem-1 homolog B,Peptide from Cyclin-dependent kinase 5 activator 1, SULFATE ION | Authors: | Chen, X, Liao, S, Xu, C. | Deposit date: | 2020-07-31 | Release date: | 2020-10-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase. Nat.Chem.Biol., 17, 2021
|
|
4IP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ip5 by Molmil](/molmil-images/mine/4ip5) | Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg and d-erythronohydroxamate | Descriptor: | (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-01-09 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg and d-erythronohydroxamate To be Published
|
|
7QRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qrw by Molmil](/molmil-images/mine/7qrw) | |
6TRX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6trx by Molmil](/molmil-images/mine/6trx) | Crystal structure of DPP8 in complex with 1G244 | Descriptor: | (2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione, Dipeptidyl peptidase 8, PHOSPHATE ION, ... | Authors: | Ross, B.H, Huber, R. | Deposit date: | 2019-12-19 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Aerosol-based ligand soaking of reservoir-free protein crystals. J.Appl.Crystallogr., 54, 2021
|
|
4IQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iqc by Molmil](/molmil-images/mine/4iqc) | P3121 crystal form of FKBP12.6 | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B | Authors: | Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G. | Deposit date: | 2013-01-11 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6. Acta Crystallogr.,Sect.D, 70, 2014
|
|
5E0Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e0z by Molmil](/molmil-images/mine/5e0z) | |
3EQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3eqo by Molmil](/molmil-images/mine/3eqo) | Crystal structure of beta-1,3-glucanase from Phanerochaete chrysosporium (Lam55A) gluconolactone complex | Descriptor: | D-glucono-1,5-lactone, Glucan 1,3-beta-glucosidase, ZINC ION, ... | Authors: | Ishida, T, Fushinobu, S, Kawai, R, Kitaoka, M, Igarashi, K, Samejima, M. | Deposit date: | 2008-10-01 | Release date: | 2009-02-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of glycoside hydrolase family 55 beta -1,3-glucanase from the basidiomycete Phanerochaete chrysosporium J.Biol.Chem., 284, 2009
|
|
6NFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nfn by Molmil](/molmil-images/mine/6nfn) | Fab fragment of anti-cocaine antibody h2E2 bound to benzoylecgonine | Descriptor: | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pokkuluri, P.R, Tan, K. | Deposit date: | 2018-12-20 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structural analysis of free and liganded forms of the Fab fragment of a high-affinity anti-cocaine antibody, h2E2. Acta Crystallogr.,Sect.F, 75, 2019
|
|
2EG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2eg8 by Molmil](/molmil-images/mine/2eg8) | The crystal structure of E. coli dihydroorotase complexed with 5-fluoroorotic acid | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, ZINC ION | Authors: | Lee, M, Maher, M.J, Guss, J.M. | Deposit date: | 2007-02-28 | Release date: | 2007-07-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of Ligand-free and Inhibitor Complexes of Dihydroorotase from Escherichia coli: Implications for Loop Movement in Inhibitor Design J.Mol.Biol., 370, 2007
|
|
6ZIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zin by Molmil](/molmil-images/mine/6zin) | Crystal structure of the neurotensin receptor 1 in complex with the small molecule inverse agonist SR48692 | Descriptor: | 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-06-26 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.639 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
|
|
6Z4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z4s by Molmil](/molmil-images/mine/6z4s) | Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with the small molecule inverse agonist SR48692 | Descriptor: | 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-05-25 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.707 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
|
|
5LGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lgv by Molmil](/molmil-images/mine/5lgv) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltooctaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2016-07-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
|
|
6YVJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yvj by Molmil](/molmil-images/mine/6yvj) | EED in complex with a triazolopyrimidine | Descriptor: | GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Read, J.A. | Deposit date: | 2020-04-28 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase. Bioorg.Med.Chem.Lett., 39, 2021
|
|
6YVI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yvi by Molmil](/molmil-images/mine/6yvi) | EED in complex with a cyano-benzofuran | Descriptor: | 5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile, CALCIUM ION, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Read, J.A. | Deposit date: | 2020-04-28 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase. Bioorg.Med.Chem.Lett., 39, 2021
|
|
5LGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lgw by Molmil](/molmil-images/mine/5lgw) | GlgE isoform 1 from Streptomyces coelicolor D394A mutant co-crystallised with maltodextrin | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ... | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2016-07-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
|
|
6UJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ujr by Molmil](/molmil-images/mine/6ujr) | P-glycoprotein mutant-F724A and C952A-with BDE100 | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | Authors: | Aller, S.G, Le, C.A. | Deposit date: | 2019-10-03 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein. Iucrj, 7, 2020
|
|
6UJT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ujt by Molmil](/molmil-images/mine/6ujt) | P-glycoprotein mutant-Y303A and C952A-with BDE100 | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | Authors: | Aller, S.G, Le, C.A. | Deposit date: | 2019-10-03 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.17 Å) | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein. Iucrj, 7, 2020
|
|
6UJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ujw by Molmil](/molmil-images/mine/6ujw) | P-glycoprotein mutant-Y306A and C952A-with BDE100 | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | Authors: | Aller, S.G, Le, C.A. | Deposit date: | 2019-10-03 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.15 Å) | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein. Iucrj, 7, 2020
|
|