5AQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aqm by Molmil](/molmil-images/mine/5aqm) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
|
|
5AQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aqy by Molmil](/molmil-images/mine/5aqy) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
|
|
5AQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aqh by Molmil](/molmil-images/mine/5aqh) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
|
|
3NC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nc0 by Molmil](/molmil-images/mine/3nc0) | Crystal structure of the HIV-1 Rev NES-CRM1-RanGTP nuclear export complex (crystal II) | Descriptor: | DI(HYDROXYETHYL)ETHER, Exportin-1, GLYCEROL, ... | Authors: | Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D. | Deposit date: | 2010-06-04 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1. Nat.Struct.Mol.Biol., 17, 2010
|
|
3NBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nby by Molmil](/molmil-images/mine/3nby) | Crystal structure of the PKI NES-CRM1-RanGTP nuclear export complex | Descriptor: | Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D. | Deposit date: | 2010-06-04 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1. Nat.Struct.Mol.Biol., 17, 2010
|
|
3NS5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ns5 by Molmil](/molmil-images/mine/3ns5) | |
1SJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sjw by Molmil](/molmil-images/mine/1sjw) | Structure of polyketide cyclase SnoaL | Descriptor: | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE, nogalonic acid methyl ester cyclase | Authors: | Sultana, A, Kallio, P, Jansson, A, Wang, J.S, Neimi, J, Mantsala, P, Schneider, G, Structural Proteomics in Europe (SPINE) | Deposit date: | 2004-03-04 | Release date: | 2004-04-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of the polyketide cyclase SnoaL reveals a novel mechanism for enzymatic aldol condensation. Embo J., 23, 2004
|
|
6HYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hys by Molmil](/molmil-images/mine/6hys) | Crystal structure of DHX8 helicase domain bound to ADP at 2.6 angstrom | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Felisberto-Rodrigues, C, Thomas, J.C, McAndrew, P.C, Le Bihan, Y.V, Burke, R, Workman, P, van Montfort, R.L.M. | Deposit date: | 2018-10-22 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release. Biochem.J., 476, 2019
|
|
6H45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h45 by Molmil](/molmil-images/mine/6h45) | crystal structure of the human TGT catalytic subunit QTRT1 in complex with queuine | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, BROMIDE ION, CHLORIDE ION, ... | Authors: | Johannsson, S, Neumann, P, Ficner, R. | Deposit date: | 2018-07-20 | Release date: | 2018-09-05 | Last modified: | 2023-03-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Human tRNA Guanine Transglycosylase Catalytic Subunit QTRT1. Biomolecules, 8, 2018
|
|
3J0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3j0f by Molmil](/molmil-images/mine/3j0f) | Sindbis virion | Descriptor: | Capsid protein, E1 envelope glycoprotein, E2 envelope glycoprotein | Authors: | Tang, J, Jose, J, Zhang, W, Chipman, P, Kuhn, R.J, Baker, T.S. | Deposit date: | 2011-07-08 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Molecular Links between the E2 Envelope Glycoprotein and Nucleocapsid Core in Sindbis Virus. J.Mol.Biol., 414, 2011
|
|
7PBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pbw by Molmil](/molmil-images/mine/7pbw) | Cryo-EM structure of light harvesting complex 2 from Rba. sphaeroides. | Descriptor: | BACTERIOCHLOROPHYLL A, CALCIUM ION, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Qian, P, Swainsbury, D.J.K, Croll, T.I, Castro-Hartmann, P, Sader, K, Divitini, G, Hunter, C.N. | Deposit date: | 2021-08-02 | Release date: | 2021-11-24 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Cryo-EM Structure of the Rhodobacter sphaeroides Light-Harvesting 2 Complex at 2.1 angstrom. Biochemistry, 60, 2021
|
|
1S32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1s32 by Molmil](/molmil-images/mine/1s32) | Molecular Recognition of the Nucleosomal 'Supergroove' | Descriptor: | 2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE, 3-AMINO-(DIMETHYLPROPYLAMINE), 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, ... | Authors: | Edayathumangalam, R.S, Weyermann, P, Gottesfeld, J.M, Dervan, P.B, Luger, K. | Deposit date: | 2004-01-12 | Release date: | 2004-05-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular Recognition of the Nucleosomal 'Supergroove' Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
6HYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hyu by Molmil](/molmil-images/mine/6hyu) | Crystal structure of DHX8 helicase bound to single stranded poly-adenine RNA | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent RNA helicase DHX8, RNA (5'-R(*A*AP*A)-3'), ... | Authors: | Felisberto-Rodrigues, C, Thomas, J.C, McAndrew, P.C, Le Bihan, Y.V, Burke, R, Workman, P, van Montfort, R.L.M. | Deposit date: | 2018-10-22 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release. Biochem.J., 476, 2019
|
|
6HYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hyt by Molmil](/molmil-images/mine/6hyt) | Crystal structure of DHX8 helicase domain bound to ADP at 2.3 Angstrom | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Felisberto-Rodrigues, C, Thomas, J.C, McAndrew, P.C, Le Bihan, Y.V, Burke, R, Workman, P, van Montfort, R.L.M. | Deposit date: | 2018-10-22 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release. Biochem.J., 476, 2019
|
|
3SHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3shi by Molmil](/molmil-images/mine/3shi) | Crystal structure of human MMP1 catalytic domain at 2.2 A resolution | Descriptor: | CALCIUM ION, Interstitial collagenase, ZINC ION | Authors: | Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J. | Deposit date: | 2011-06-16 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The catalytic domain of MMP-1 studied through tagged lanthanides. Febs Lett., 586, 2012
|
|
3PVJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pvj by Molmil](/molmil-images/mine/3pvj) | Crystal structure of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440 | Descriptor: | Alpha-ketoglutarate-dependent taurine dioxygenase, CHLORIDE ION | Authors: | Knauer, S.H, Spiegelhauer, O, Schwarzinger, S, Haenzelmann, P, Dobbek, H. | Deposit date: | 2010-12-07 | Release date: | 2011-12-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biochemical and structural characterization of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440 To be Published
|
|
1REI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rei by Molmil](/molmil-images/mine/1rei) | THE MOLECULAR STRUCTURE OF A DIMER COMPOSED OF THE VARIABLE PORTIONS OF THE BENCE-JONES PROTEIN REI REFINED AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | BENCE-JONES PROTEIN REI (LIGHT CHAIN) | Authors: | Epp, O, Lattman, E.E, Colman, P, Fehlhammer, H, Bode, W, Schiffer, M, Huber, R, Palm, W. | Deposit date: | 1976-03-17 | Release date: | 1976-05-19 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The molecular structure of a dimer composed of the variable portions of the Bence-Jones protein REI refined at 2.0-A resolution. Biochemistry, 14, 1975
|
|
3KG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kg1 by Molmil](/molmil-images/mine/3kg1) | Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, mutant N63A | Descriptor: | CHLORIDE ION, SnoaB | Authors: | Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G. | Deposit date: | 2009-10-28 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism Biochemistry, 49, 2010
|
|
3KG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kg0 by Molmil](/molmil-images/mine/3kg0) | Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, determined to 1.7 resolution | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SnoaB | Authors: | Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G. | Deposit date: | 2009-10-28 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism Biochemistry, 49, 2010
|
|
2NC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nc9 by Molmil](/molmil-images/mine/2nc9) | Apo solution structure of Hop TPR2A | Descriptor: | Stress-induced-phosphoprotein 1 | Authors: | Darby, J.F, Vidler, L.R, Simpson, P.J, Matthews, S.J, Sharp, S.Y, Pearl, L.H, Hoelder, S, Workman, P. | Deposit date: | 2016-03-23 | Release date: | 2017-03-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the Hop TPR2A domain and investigation of target druggability by NMR, biochemical and in silico approaches. Sci Rep, 10, 2020
|
|
2J9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j9n by Molmil](/molmil-images/mine/2j9n) | Robotically harvested Trypsin complexed with Benzamidine containing polypeptide mediated crystal contacts | Descriptor: | BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Viola, R, Carman, P, Walsh, J, Miller, E, Benning, M, Frankel, D, McPherson, A, Cudney, R, Rupp, B. | Deposit date: | 2006-11-14 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Operator Assisted Harvesting of Protein Crystals Using a Universal Micromanipulation Robot. J.Appl.Crystallogr., 40, 2007
|
|
4Z3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z3f by Molmil](/molmil-images/mine/4z3f) | Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P21 | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PapG, lectin domain, ... | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
|
|
2JDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jdo by Molmil](/molmil-images/mine/2jdo) | STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE | Descriptor: | 1,2-ETHANEDIOL, GLYCOGEN SYNTHASE KINASE-3 BETA, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE, ... | Authors: | Davies, T.G, Verdonk, M.L, Graham, B, Saalau-Bethell, S, Hamlett, C.C.F, Mchardy, T, Collins, I, Garrett, M.D, Workman, P, Woodhead, S.J, Jhoti, H, Barford, D. | Deposit date: | 2007-01-11 | Release date: | 2007-02-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera J.Mol.Biol., 367, 2007
|
|
4Z3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z3j by Molmil](/molmil-images/mine/4z3j) | Crystal structure of the lectin domain of PapG from E. coli BI47 in space group P1 | Descriptor: | PapG, lectin domain | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
|
|
2JDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jdv by Molmil](/molmil-images/mine/2jdv) | Structure of PKA-PKB chimera complexed with A-443654 | Descriptor: | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | Authors: | Davies, T.G, Verdonk, M.L, Graham, B, Saalau-Bethell, S, Hamlett, C.C.F, Mchardy, T, Collins, I, Garrett, M.D, Workman, P, Woodhead, S.J, Jhoti, H, Barford, D. | Deposit date: | 2007-01-12 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera J.Mol.Biol., 367, 2007
|
|