1SRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sre by Molmil](/molmil-images/mine/1sre) | |
3LLR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3llr by Molmil](/molmil-images/mine/3llr) | Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (cytosine-5)-methyltransferase 3A, SULFATE ION | Authors: | Qiu, W, Dombrovski, L, Ni, S, Weigelt, J, Boutra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-01-29 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and histone binding ability characterizations of human PWWP domains. Plos One, 6, 2011
|
|
3L9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l9h by Molmil](/molmil-images/mine/3l9h) | X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the hexahydro-2H-pyrano[3,2-c]quinoline EMD 534085 | Descriptor: | 1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11 | Authors: | Knoechel, T. | Deposit date: | 2010-01-05 | Release date: | 2010-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5. Bioorg.Med.Chem.Lett., 20, 2010
|
|
4G6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g6h by Molmil](/molmil-images/mine/4g6h) | Crystal structure of NDH with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Li, W, Feng, Y, Ge, J, Yang, M. | Deposit date: | 2012-07-19 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.262 Å) | Cite: | Structural insight into the type-II mitochondrial NADH dehydrogenases. Nature, 491, 2012
|
|
3LPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lpb by Molmil](/molmil-images/mine/3lpb) | Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor | Descriptor: | N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M. | Deposit date: | 2010-02-05 | Release date: | 2010-04-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
|
|
3LF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lf6 by Molmil](/molmil-images/mine/3lf6) | Crystal structure of HIV epitope-scaffold 4E10_1XIZA_S0_001_N | Descriptor: | PHOSPHATE ION, Putative phosphotransferase system | Authors: | Holmes, M.A. | Deposit date: | 2010-01-15 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope. Structure, 18, 2010
|
|
2JG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jg5 by Molmil](/molmil-images/mine/2jg5) | CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOFRUCTOKINASE FROM STAPHYLOCOCCUS AUREUS | Descriptor: | FRUCTOSE 1-PHOSPHATE KINASE | Authors: | Yan, X, Carter, L.G, Johnson, K.A, Liu, H, Dorward, M, McMahon, S.A, Oke, M, Powers, H, Coote, P.J, Naismith, J.H. | Deposit date: | 2007-02-08 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
|
|
3LHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lhp by Molmil](/molmil-images/mine/3lhp) | |
2JG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jg6 by Molmil](/molmil-images/mine/2jg6) | CRYSTAL STRUCTURE OF A 3-METHYLADENINE DNA GLYCOSYLASE I FROM STAPHYLOCOCCUS AUREUS | Descriptor: | DNA-3-METHYLADENINE GLYCOSIDASE, ZINC ION | Authors: | Yan, X, Carter, L.G, Liu, H, Dorward, M, McMahon, S.A, Johnson, K.A, Oke, M, Coote, P.J, Naismith, J.H. | Deposit date: | 2007-02-08 | Release date: | 2007-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
|
|
2JS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2js9 by Molmil](/molmil-images/mine/2js9) | |
3LH2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lh2 by Molmil](/molmil-images/mine/3lh2) | |
3LN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ln1 by Molmil](/molmil-images/mine/3ln1) | Structure of celecoxib bound at the COX-2 active site | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | Authors: | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | Deposit date: | 2010-02-01 | Release date: | 2010-10-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
|
|
3LF9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lf9 by Molmil](/molmil-images/mine/3lf9) | Crystal structure of HIV epitope-scaffold 4E10_D0_1IS1A_001_C | Descriptor: | 4E10_D0_1IS1A_001_C (T161) | Authors: | Holmes, M.A. | Deposit date: | 2010-01-16 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope. Structure, 18, 2010
|
|
4FUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ful by Molmil](/molmil-images/mine/4ful) | PI3 Kinase Gamma bound to a pyrmidine inhibitor | Descriptor: | 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Gopalsamy, A, Bennett, E.M, Shi, M, Zhang, W.G, Bard, J, Yu, K. | Deposit date: | 2012-06-28 | Release date: | 2012-10-17 | Last modified: | 2012-10-31 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Identification of pyrimidine derivatives as hSMG-1 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4G73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g73 by Molmil](/molmil-images/mine/4g73) | Crystal structure of NDH with NADH and Quinone | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Li, W, Feng, Y, Ge, J, Yang, M. | Deposit date: | 2012-07-19 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.522 Å) | Cite: | Structural insight into the type-II mitochondrial NADH dehydrogenases. Nature, 491, 2012
|
|
3OAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oad by Molmil](/molmil-images/mine/3oad) | Design and optimization of new piperidines as renin inhibitors | Descriptor: | (3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Prade, L. | Deposit date: | 2010-08-05 | Release date: | 2010-11-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Design and optimization of new piperidines as renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
|
|
2IGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2igq by Molmil](/molmil-images/mine/2igq) | Human euchromatic histone methyltransferase 1 | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, euchromatic histone methyltransferase 1 | Authors: | Min, J, Wu, H, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-09-23 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural biology of human H3K9 methyltransferases Plos One, 5, 2010
|
|
4HS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hs6 by Molmil](/molmil-images/mine/4hs6) | |
4HM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hm7 by Molmil](/molmil-images/mine/4hm7) | |
4HM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hm2 by Molmil](/molmil-images/mine/4hm2) | |
3OAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oag by Molmil](/molmil-images/mine/3oag) | Design and optimization of new piperidines as renin inhibitors | Descriptor: | (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Prade, L. | Deposit date: | 2010-08-05 | Release date: | 2010-11-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and optimization of new piperidines as renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
|
|
2IK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ik8 by Molmil](/molmil-images/mine/2ik8) | Crystal structure of the heterodimeric complex of human RGS16 and activated Gi alpha 1 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | Authors: | Soundararajan, M, Turnbull, A.P, Papagrigoriou, E, Debreczeni, J, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-10-02 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
4HS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hs8 by Molmil](/molmil-images/mine/4hs8) | |
3O39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o39 by Molmil](/molmil-images/mine/3o39) | |
4HM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hm8 by Molmil](/molmil-images/mine/4hm8) | |