4CE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ce3 by Molmil](/molmil-images/mine/4ce3) | Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | Descriptor: | 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | Authors: | Roe, S.M, Parry-Morris, S, Prodromou, C. | Deposit date: | 2013-11-08 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90. Org.Biomol.Chem., 12, 2014
|
|
1JLI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jli by Molmil](/molmil-images/mine/1jli) | |
2W7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w7x by Molmil](/molmil-images/mine/2w7x) | Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019 | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide, ... | Authors: | Jobson, A.G, Lountos, G.T, Lorenzi, P.L, Llamas, J, Connelly, J, Tropea, J.E, Onda, A, Kondapaka, S, Zhang, G, Caplen, N.J, Caredellina, J.H, Monks, A, Self, C, Waugh, D.S, Shoemaker, R.H, Pommier, Y. | Deposit date: | 2009-01-06 | Release date: | 2009-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Cellular Inhibition of Chk2 Kinase and Potentiation of Camptothecins and Radiation by the Novel Chk2 Inhibitor Pv1019. J.Pharmacol.Exp.Ther., 331, 2009
|
|
4DC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dc2 by Molmil](/molmil-images/mine/4dc2) | Structure of PKC in Complex with a Substrate Peptide from Par-3 | Descriptor: | ADENINE, Partitioning defective 3 homolog, Protein kinase C iota type | Authors: | Shang, Y, Wang, C, Yu, J, Zhang, M. | Deposit date: | 2012-01-17 | Release date: | 2012-07-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Substrate recognition mechanism of atypical protein kinase Cs revealed by the structure of PKC iota in complex with a substrate peptide from Par-3 Structure, 20, 2012
|
|
2V08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v08 by Molmil](/molmil-images/mine/2v08) | Structure of wild-type Phormidium laminosum cytochrome c6 | Descriptor: | CHLORIDE ION, CYTOCHROME C6, HEME C, ... | Authors: | Worrall, J.A.R, Schlarb-Ridley, B.G, Reda, T, Marcaida, M.J, Moorlen, R.J, Wastl, J, Hirst, J, Bendall, D.S, Luisi, B.F, Howe, C.J. | Deposit date: | 2007-05-10 | Release date: | 2007-07-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Modulation of heme redox potential in the cytochrome c6 family. J. Am. Chem. Soc., 129, 2007
|
|
5O5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o5x by Molmil](/molmil-images/mine/5o5x) | Crystal structure of Thermococcus litoralis ADP-dependent glucokinase (GK) | Descriptor: | ADP-dependent glucokinase,ADP-dependent glucokinase,ADP-dependent glucokinase, GLYCEROL, SULFATE ION | Authors: | Herrera-Morande, A, Castro-Fernandez, V, Merino, F, Ramirez-Sarmiento, C.A, Fernandez, F.J, Guixe, V, Vega, M.C. | Deposit date: | 2017-06-02 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | Protein topology determines substrate-binding mechanism in homologous enzymes. Biochim Biophys Acta Gen Subj, 1862, 2018
|
|
5O5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o5y by Molmil](/molmil-images/mine/5o5y) | Crystal structure of Thermococcus litoralis ADP-dependent glucokinase (GK) | Descriptor: | ADP-dependent glucokinase,ADP-dependent glucokinase,ADP-dependent glucokinase, GLYCEROL, TRIETHYLENE GLYCOL, ... | Authors: | Herrera-Morande, A, Castro-Fernandez, V, Merino, F, Ramirez-Sarmiento, C.A, Fernandez, F.J, Guixe, V, Vega, M.C. | Deposit date: | 2017-06-02 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.915 Å) | Cite: | Protein topology determines substrate-binding mechanism in homologous enzymes. Biochim Biophys Acta Gen Subj, 1862, 2018
|
|
2N0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n0q by Molmil](/molmil-images/mine/2n0q) | N2-dG-IQ modified DNA at the G1 position of the NarI recognition sequence | Descriptor: | DNA_(5'-D(*CP*TP*CP*(IQG)P*GP*CP*GP*CP*CP*AP*TP*C)-3'), DNA_(5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3') | Authors: | Stavros, K, Hawkins, E, Rizzo, C, Stone, M. | Deposit date: | 2015-03-11 | Release date: | 2015-08-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Base-Displaced Intercalated Conformation of the 2-Amino-3-methylimidazo[4,5-f]quinoline N(2)-dG DNA Adduct Positioned at the Nonreiterated G(1) in the NarI Restriction Site. Chem.Res.Toxicol., 28, 2015
|
|
7XGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xgr by Molmil](/molmil-images/mine/7xgr) | |
4D9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d9y by Molmil](/molmil-images/mine/4d9y) | The crystal structure of Chelerythrine bound to DNA d(CGTACG) | Descriptor: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, CALCIUM ION, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | Authors: | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R. | Deposit date: | 2012-01-12 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of Chelerythrine bound to DNA d(CGTACG) To be Published
|
|
2BFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bfw by Molmil](/molmil-images/mine/2bfw) | Structure of the C domain of glycogen synthase from Pyrococcus abyssi | Descriptor: | ACETATE ION, GLGA GLYCOGEN SYNTHASE, SULFATE ION | Authors: | Horcajada, C, Guinovart, J.J, Fita, I, Ferrer, J.C. | Deposit date: | 2004-12-15 | Release date: | 2005-11-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of an Archaeal Glycogen Synthase: Insights Into Oligomerisation and Substrate Binding of Eukaryotic Glycogen Synthases. J.Biol.Chem., 281, 2006
|
|
4CWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cwp by Molmil](/molmil-images/mine/4cwp) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
|
|
1PLU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1plu by Molmil](/molmil-images/mine/1plu) | |
2BLF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2blf by Molmil](/molmil-images/mine/2blf) | Sulfite dehydrogenase from Starkeya Novella | Descriptor: | (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, HEME C, SULFATE ION, ... | Authors: | Bailey, S, Kappler, U. | Deposit date: | 2005-03-04 | Release date: | 2005-04-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Basis of Intramolecular Electron Transfer in Sulfite-Oxidizing Enzymes is Revealed by High Resolution Structure of a Heterodimeric Complex of the Catalytic Molybdopterin Subunit and a C-Type Cytochrome Subunit. J.Biol.Chem., 280, 2005
|
|
2N01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n01 by Molmil](/molmil-images/mine/2n01) | NMR structure of VirB9 C-terminal domain in complex with VirB7 N-terminal domain from Xanthomonas citri's T4SS | Descriptor: | VirB7 protein, VirB9 protein | Authors: | Oliveira, L.C, Souza, D.P, Salinas, R.K, Wienk, H, Boelens, R, Farah, S.C. | Deposit date: | 2015-03-03 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | VirB7 and VirB9 Interactions Are Required for the Assembly and Antibacterial Activity of a Type IV Secretion System. Structure, 24, 2016
|
|
3P4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p4q by Molmil](/molmil-images/mine/3p4q) | Crystal structure of Menaquinol:oxidoreductase in complex with oxaloacetate | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tomasiak, T.M, Archuleta, T.L, Andrell, J, Luna-Chavez, C, Davis, T.A, Sarwar, M, Ham, A.J, McDonald, W.H, Yankowskaya, V, Stern, H.A, Johnston, J.N, Maklashina, E, Cecchini, G, Iverson, T.M. | Deposit date: | 2010-10-06 | Release date: | 2010-12-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase. J.Biol.Chem., 286, 2011
|
|
6HKZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hkz by Molmil](/molmil-images/mine/6hkz) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-49-1 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Novakova, Z, Barinka, C. | Deposit date: | 2018-09-09 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
|
|
6H7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h7y by Molmil](/molmil-images/mine/6h7y) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 1-79-1 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Novakova, Z, Barinka, C. | Deposit date: | 2018-07-31 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
|
|
3EXB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3exb by Molmil](/molmil-images/mine/3exb) | |
2YGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ygv by Molmil](/molmil-images/mine/2ygv) | Conserved N-terminal domain of the yeast Histone Chaperone Asf1 in complex with the C-terminal fragment of Rad53 | Descriptor: | GLYCEROL, HISTONE CHAPERONE ASF1, SERINE/THREONINE-PROTEIN KINASE RAD53, ... | Authors: | Jiao, Y, Seeger, K, Murciano, B, Ledu, M.H, Charbonnier, J.B, Legrand, P, Lautrette, A, Gaubert, A, Mousson, F, Guerois, R, Mann, C, Ochsenbein, F. | Deposit date: | 2011-04-21 | Release date: | 2012-02-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Surprising Complexity of the Asf1 Histone Chaperone-Rad53 Kinase Interaction Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
2C26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c26 by Molmil](/molmil-images/mine/2c26) | Structural basis for the promiscuous specificity of the carbohydrate- binding modules from the beta-sandwich super family | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDOGLUCANASE | Authors: | Najmudin, S, Guerreiro, C.I.P.D, Carvalho, A.L, Bolam, D.N, Prates, J.A.M, Correia, M.A.S, Alves, V.D, Ferreira, L.M.A, Romao, M.J, Gilbert, H.J, Fontes, C.M.G.A. | Deposit date: | 2005-09-26 | Release date: | 2005-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Xyloglucan is Recognized by Carbohydrate-Binding Modules that Interact with Beta-Glucan Chains. J.Biol.Chem., 281, 2006
|
|
4CWS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cws by Molmil](/molmil-images/mine/4cws) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
|
|
4CWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cwo by Molmil](/molmil-images/mine/4cwo) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
|
|
2K2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2k2d by Molmil](/molmil-images/mine/2k2d) | Solution NMR structure of C-terminal domain of human pirh2. Northeast Structural Genomics Consortium (NESG) target HT2C | Descriptor: | RING finger and CHY zinc finger domain-containing protein 1, ZINC ION | Authors: | Lemak, A, Sheng, Y, Karra, M, Srisailam, S, Laister, R.C, Duan, S, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-03-31 | Release date: | 2008-04-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Molecular basis of Pirh2-mediated p53 ubiquitylation. Nat.Struct.Mol.Biol., 15, 2008
|
|
4CWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cwf by Molmil](/molmil-images/mine/4cwf) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-02 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
|
|