4F1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f1z by Molmil](/molmil-images/mine/4f1z) | Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB | Descriptor: | Clumping factor B, MAGNESIUM ION, peptide from Keratin, ... | Authors: | Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB Plos Pathog., 8, 2012
|
|
4F24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f24 by Molmil](/molmil-images/mine/4f24) | Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB | Descriptor: | Clumping factor B, MAGNESIUM ION | Authors: | Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.509 Å) | Cite: | Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB Plos Pathog., 8, 2012
|
|
4IIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iis by Molmil](/molmil-images/mine/4iis) | Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), An allergen from Hevea Brasiliensis (Space group P41) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase form 'RRII Gln 2', CACODYLATE ION, ... | Authors: | Rodriguez-Romero, A, Hernandez-Santoyo, A. | Deposit date: | 2012-12-20 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6676 Å) | Cite: | Structural analysis of the endogenous glycoallergen Hev b 2 (endo-beta-1,3-glucanase) from Hevea brasiliensis and its recognition by human basophils. Acta Crystallogr.,Sect.D, 70, 2014
|
|
7XKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xkw by Molmil](/molmil-images/mine/7xkw) | The 3D strcuture of (-)-cyperene synthase with substrate analogue FSPP | Descriptor: | (-)-cyperene synthase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | Authors: | Yu, S.S, Zhu, P, Liu, Y.B, Ma, S.G, Ye, D, Shao, Y.Z, Li, W.R, Cui, Z.J. | Deposit date: | 2022-04-20 | Release date: | 2023-10-25 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Characterization and Engineering of Two Highly Paralogous Sesquiterpene Synthases Reveal a Regioselective Reprotonation Switch. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
1XKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xkx by Molmil](/molmil-images/mine/1xkx) | Kinetic and crystallographic studies on 2-(beta-D-glucopyranosyl)-5-methyl-1,3,4-oxadiazole,-benzothiazole, and-benzimidazole, inhibitors of muscle glycogen phosphorylase b. Evidence for a new binding site. | Descriptor: | 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1-BENZIMIDAZOLE, Glycogen phosphorylase, muscle form, ... | Authors: | Chrysina, E.D, Kosmopoulou, M.N, Tiraidis, C, Kardakaris, R, Bischler, N, Leonidas, D.D, Hadady, Z, Somsak, L, Docsa, T, Gergely, P, Oikonomakos, N.G. | Deposit date: | 2004-09-30 | Release date: | 2005-03-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Kinetic and crystallographic studies on 2-(beta-D-glucopyranosyl)-5-methyl-1, 3, 4-oxadiazole, -benzothiazole, and -benzimidazole, inhibitors of muscle glycogen phosphorylase b. Evidence for a new binding site Protein Sci., 14, 2005
|
|
6HV0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hv0 by Molmil](/molmil-images/mine/6hv0) | IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33 | Descriptor: | 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Bayliss, R, Bhatia, C, Collins, I. | Deposit date: | 2018-10-09 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease. J.Med.Chem., 62, 2019
|
|
4IEF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ief by Molmil](/molmil-images/mine/4ief) | Complex of Porphyromonas gingivalis RgpB pro- and mature domains | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BARIUM ION, CALCIUM ION, ... | Authors: | de Diego, I, Veillard, F.T, Guevara, T, Potempa, B, Sztukowska, M, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2012-12-13 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Porphyromonas gingivalis Virulence Factor Gingipain RgpB Shows a Unique Zymogenic Mechanism for Cysteine Peptidases. J.Biol.Chem., 288, 2013
|
|
7Y3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y3s by Molmil](/molmil-images/mine/7y3s) | Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1 | Descriptor: | 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ... | Authors: | Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y. | Deposit date: | 2022-06-12 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1. Embo Mol Med, 15, 2023
|
|
1C4D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c4d by Molmil](/molmil-images/mine/1c4d) | GRAMICIDIN CSCL COMPLEX | Descriptor: | CESIUM ION, CHLORIDE ION, GRAMICIDIN A, ... | Authors: | Wallace, B.A. | Deposit date: | 1999-06-04 | Release date: | 2000-01-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Gramicidin Pore: Crystal Structure of a Cesium Complex. Science, 241, 1988
|
|
6I3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i3s by Molmil](/molmil-images/mine/6i3s) | Crystal structure of MDM2 in complex with compound 13. | Descriptor: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | Authors: | Bader, G, Kessler, D. | Deposit date: | 2018-11-07 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Targeted Synthesis of Complex Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2-p53 Inhibitors. ChemMedChem, 14, 2019
|
|
1SVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sve by Molmil](/molmil-images/mine/1sve) | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 | Descriptor: | (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER, N-OCTANOYL-N-METHYLGLUCAMINE, SODIUM ION, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
|
|
2X20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x20 by Molmil](/molmil-images/mine/2x20) | Structure of Peridinin-Chlorophyll-Protein reconstituted with Chl-b | Descriptor: | CADMIUM ION, CHLORIDE ION, CHLOROPHYLL B, ... | Authors: | Schulte, T, Hiller, R.G, Hofmann, E. | Deposit date: | 2010-01-09 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-Ray Structures of the Peridinin-Chlorophyll-Protein Reconstituted with Different Chlorophylls. FEBS Lett., 584, 2010
|
|
3T07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t07 by Molmil](/molmil-images/mine/3t07) | Crystal structure of S. aureus Pyruvate Kinase in complex with a naturally occurring bis-indole alkaloid | Descriptor: | (3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one, PHOSPHATE ION, Pyruvate kinase | Authors: | Worrall, L.J, Vuckovic, M, Strynadka, N.C.J. | Deposit date: | 2011-07-19 | Release date: | 2011-10-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Methicillin-resistant Staphylococcus aureus (MRSA) pyruvate kinase as a target for bis-indole alkaloids with antibacterial activities. J.Biol.Chem., 286, 2011
|
|
3T46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t46 by Molmil](/molmil-images/mine/3t46) | |
5SS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ss8 by Molmil](/molmil-images/mine/5ss8) | |
2QOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qog by Molmil](/molmil-images/mine/2qog) | Crotoxin B, the basic PLA2 from Crotalus durissus terrificus. | Descriptor: | CALCIUM ION, Phospholipase A2 CB1, Phospholipase A2 CB2 | Authors: | Marchi-Salvador, D.P, Correa, L.C, Fontes, M.R.M. | Deposit date: | 2007-07-20 | Release date: | 2008-04-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Insights into the role of oligomeric state on the biological activities of crotoxin: crystal structure of a tetrameric phospholipase A2 formed by two isoforms of crotoxin B from Crotalus durissus terrificus venom. Proteins, 72, 2008
|
|
5SRD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5srd by Molmil](/molmil-images/mine/5srd) | |
5SRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sre by Molmil](/molmil-images/mine/5sre) | |
5SRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5srf by Molmil](/molmil-images/mine/5srf) | |
4NHH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nhh by Molmil](/molmil-images/mine/4nhh) | Structure of 2G12 IgG Dimer | Descriptor: | 2G12 IgG dimer heavy chain, 2G12 IgG dimer light chain, Hepatitis B virus receptor binding protein | Authors: | Wu, Y, West Jr, A.P, Kim, H.J, Thornton, M.E, Ward, A.B, Bjorkman, P.J. | Deposit date: | 2013-11-05 | Release date: | 2014-02-26 | Method: | X-RAY DIFFRACTION (6.5 Å) | Cite: | Structural basis for enhanced HIV-1 neutralization by a dimeric immunoglobulin G form of the glycan-recognizing antibody 2G12. Cell Rep, 5, 2013
|
|
5SRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5srg by Molmil](/molmil-images/mine/5srg) | |
5SRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5srh by Molmil](/molmil-images/mine/5srh) | |
5SRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sri by Molmil](/molmil-images/mine/5sri) | |
5SRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5srj by Molmil](/molmil-images/mine/5srj) | |
5SRK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5srk by Molmil](/molmil-images/mine/5srk) | |