5A7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a7o by Molmil](/molmil-images/mine/5a7o) | Crystal structure of human JMJD2A in complex with compound 42 | Descriptor: | 1,2-ETHANEDIOL, 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
|
|
3FXH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fxh by Molmil](/molmil-images/mine/3fxh) | Crystal structure from the mobile metagenome of Halifax Harbour Sewage Outfall: Integron Cassette Protein HFX_CASS2 | Descriptor: | Integron gene cassette protein HFX_CASS2 | Authors: | Sureshan, V, Deshpande, C, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Chang, C, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-01-20 | Release date: | 2009-02-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.837 Å) | Cite: | Integron gene cassettes: a repository of novel protein folds with distinct interaction sites. Plos One, 8, 2013
|
|
5I3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i3o by Molmil](/molmil-images/mine/5i3o) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
|
|
5I3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i3r by Molmil](/molmil-images/mine/5i3r) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
|
|
6ME0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6me0 by Molmil](/molmil-images/mine/6me0) | Structure of a group II intron retroelement prior to DNA integration | Descriptor: | MAGNESIUM ION, Maturase reverse transcriptase, SODIUM ION, ... | Authors: | Haack, D, Yan, X, Zhang, C, Hingey, J, Lyumkis, D, Baker, T.S, Toor, N. | Deposit date: | 2018-09-05 | Release date: | 2019-08-14 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM Structures of a Group II Intron Reverse Splicing into DNA. Cell, 178, 2019
|
|
4ZXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zxd by Molmil](/molmil-images/mine/4zxd) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD | Descriptor: | Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | Deposit date: | 2015-05-20 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.052 Å) | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
|
|
4ZXC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zxc by Molmil](/molmil-images/mine/4zxc) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+ | Descriptor: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | Deposit date: | 2015-05-20 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
|
|
8BD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bd5 by Molmil](/molmil-images/mine/8bd5) | Cas12k-sgRNA-dsDNA-S15-TniQ-TnsC transposon recruitment complex | Descriptor: | 30S ribosomal protein S15, ADENOSINE-5'-TRIPHOSPHATE, DNA non-target strand, ... | Authors: | Schmitz, M, Querques, I, Oberli, S, Chanez, C, Jinek, M. | Deposit date: | 2022-10-18 | Release date: | 2022-12-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for the assembly of the type V CRISPR-associated transposon complex. Cell, 185, 2022
|
|
8BD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bd4 by Molmil](/molmil-images/mine/8bd4) | TniQ-capped Tns-ATP-dsDNA complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*AP*TP*CP*GP*AP*TP*CP*GP*AP*TP*CP*GP*AP*TP*C)-3'), MAGNESIUM ION, ... | Authors: | Querques, I, Schmitz, M, Oberli, S, Chanez, C, Jinek, M. | Deposit date: | 2022-10-18 | Release date: | 2022-12-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Structural basis for the assembly of the type V CRISPR-associated transposon complex. Cell, 185, 2022
|
|
3TB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tb4 by Molmil](/molmil-images/mine/3tb4) | Crystal structure of the ISC domain of VibB | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liu, S, Zhang, C, Niu, B, Li, N, Liu, M, Wei, T, Zhu, D, Xu, S, Gu, L. | Deposit date: | 2011-08-05 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction Acta Crystallogr.,Sect.D, 68, 2012
|
|
3TG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tg2 by Molmil](/molmil-images/mine/3tg2) | Crystal structure of the ISC domain of VibB in complex with isochorismate | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, TRIETHYLENE GLYCOL, Vibriobactin-specific isochorismatase | Authors: | Liu, S, Zhang, C, Niu, B, Li, N, Liu, X, Liu, M, Wei, T, Zhu, D, Huang, Y, Xu, S, Gu, L. | Deposit date: | 2011-08-17 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction Acta Crystallogr.,Sect.D, 68, 2012
|
|
4IAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iar by Molmil](/molmil-images/mine/4iar) | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for molecular recognition at serotonin receptors. Science, 340, 2013
|
|
4IAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iaq by Molmil](/molmil-images/mine/4iaq) | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) | Descriptor: | Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for molecular recognition at serotonin receptors. Science, 340, 2013
|
|
5HPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hpe by Molmil](/molmil-images/mine/5hpe) | Phosphatase domain of PP5 bound to a phosphomimetic Cdc37 substrate peptide | Descriptor: | COBALT HEXAMMINE(III), MANGANESE (II) ION, Serine/threonine-protein phosphatase 5,Hsp90 co-chaperone Cdc37 | Authors: | Oberoi, J, Mariotti, L, Vaughan, C. | Deposit date: | 2016-01-20 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural and functional basis of protein phosphatase 5 substrate specificity. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
7V6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v6f by Molmil](/molmil-images/mine/7v6f) | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P | Descriptor: | Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION | Authors: | Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J. | Deposit date: | 2021-08-20 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem., 65, 2022
|
|
2XX1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xx1 by Molmil](/molmil-images/mine/2xx1) | STRUCTURE OF THE N90S MUTANT OF NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite | Descriptor: | COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION, ... | Authors: | Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S. | Deposit date: | 2010-11-07 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase. Biochemistry, 50, 2011
|
|
2XWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xwz by Molmil](/molmil-images/mine/2xwz) | STRUCTURE OF THE RECOMBINANT NATIVE NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite | Descriptor: | ACETATE ION, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | Authors: | Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S. | Deposit date: | 2010-11-06 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase. Biochemistry, 50, 2011
|
|
2YQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yqb by Molmil](/molmil-images/mine/2yqb) | Structure of P93A variant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.4 A resolution | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, HEME C | Authors: | Antonyuk, S.V, Han, C, Eady, R.R, Hasnain, S.S. | Deposit date: | 2012-11-07 | Release date: | 2013-04-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structures of protein-protein complexes involved in electron transfer. Nature, 496, 2013
|
|
2XX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xx0 by Molmil](/molmil-images/mine/2xx0) | STRUCTURE OF THE N90S-H254F MUTANT OF NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | Authors: | Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S. | Deposit date: | 2010-11-07 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase. Biochemistry, 50, 2011
|
|
4RT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rt7 by Molmil](/molmil-images/mine/4rt7) | Crystal Structure of FLT3 with a small molecule inhibitor | Descriptor: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3 | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2014-11-13 | Release date: | 2015-04-22 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Characterizing and Overriding the Structural Mechanism of the Quizartinib-Resistant FLT3 "Gatekeeper" F691L Mutation with PLX3397. Cancer Discov, 5, 2015
|
|
3WLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wlb by Molmil](/molmil-images/mine/3wlb) | HLA-A24 in complex with HIV-1 Nef126-10(8T10F) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | Deposit date: | 2013-11-08 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection Retrovirology, 11, 2014
|
|
3WL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wl9 by Molmil](/molmil-images/mine/3wl9) | HLA-A24 in complex with HIV-1 Nef126-10(8I10F) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | Deposit date: | 2013-11-08 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection Retrovirology, 11, 2014
|
|
3ZIY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ziy by Molmil](/molmil-images/mine/3ziy) | Structure of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.01 A resolution | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, HEME C | Authors: | Antonyuk, S.V, Han, C, Eady, R.R, Hasnain, S.S. | Deposit date: | 2013-01-14 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structures of protein-protein complexes involved in electron transfer. Nature, 496, 2013
|
|
3ZBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zbm by Molmil](/molmil-images/mine/3zbm) | Structure of M92A variant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, HEME C | Authors: | Antonyuk, S.V, Han, C, Eady, R.R, Hasnain, S.S. | Deposit date: | 2012-11-10 | Release date: | 2013-04-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structures of protein-protein complexes involved in electron transfer. Nature, 496, 2013
|
|
4RL5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rl5 by Molmil](/molmil-images/mine/4rl5) | |