5DXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dxu by Molmil](/molmil-images/mine/5dxu) | p110delta/p85alpha with GDC-0326 | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | Deposit date: | 2015-09-23 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J.Med.Chem., 59, 2016
|
|
2Z5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z5t by Molmil](/molmil-images/mine/2z5t) | Molecular basis for the inhibition of p53 by Mdmx | Descriptor: | Cellular tumor antigen p53, Mdm4 protein | Authors: | Popowicz, G.M, Czarna, A, Rothweiler, U, Szwagierczak, A, Holak, T.A. | Deposit date: | 2007-07-17 | Release date: | 2007-11-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for the inhibition of p53 by Mdmx. Cell Cycle, 6, 2007
|
|
3IRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3irq by Molmil](/molmil-images/mine/3irq) | Crystal structure of a Z-Z junction | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*CP*GP*CP*GP*AP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*TP*CP*GP*CP*GP*CP*G)-3'), Double-stranded RNA-specific adenosine deaminase | Authors: | Athanasiadis, A, de Rosa, M. | Deposit date: | 2009-08-24 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a junction between two Z-DNA helices. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3QWR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qwr by Molmil](/molmil-images/mine/3qwr) | Crystal structure of IL-23 in complex with an adnectin | Descriptor: | ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | Authors: | Wei, A, Sheriff, S. | Deposit date: | 2011-02-28 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structures of adnectin/protein complexes reveal an expanded binding footprint. Structure, 20, 2012
|
|
6XR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xr3 by Molmil](/molmil-images/mine/6xr3) | |
7UQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uqa by Molmil](/molmil-images/mine/7uqa) | Crystal structure of the small Ultra-Red Fluorescent Protein (smURFP) | Descriptor: | CHLORIDE ION, SODIUM ION, small Ultra-Red Fluorescent Protein (smURFP) | Authors: | Maiti, A, Buffalo, C.Z, Saurabh, S, Montecinos-Franjola, F, Hachey, J.S, Conlon, W.J, Tran, G.N, Drobizhev, M, Moerner, W.E, Ghosh, P, Matsuo, H, Tsien, R.Y, Lin, J.Y, Rodriguez, E.A. | Deposit date: | 2022-04-19 | Release date: | 2023-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structural and photophysical characterization of the small ultra-red fluorescent protein. Nat Commun, 14, 2023
|
|
7URB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7urb by Molmil](/molmil-images/mine/7urb) | Sars-Cov2 Main Protease in complex with CDD-1733 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | Deposit date: | 2022-04-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
|
|
6KLM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6klm by Molmil](/molmil-images/mine/6klm) | NMR solution structure of Roseltide rT7 | Descriptor: | Roseltide rT7 | Authors: | Fan, J.S, Kam, A, Loo, S, Yang, D, Tam, P.J. | Deposit date: | 2019-07-30 | Release date: | 2019-11-20 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Roseltide rT7 is a disulfide-rich, anionic, and cell-penetrating peptide that inhibits proteasomal degradation. J.Biol.Chem., 294, 2019
|
|
7US4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7us4 by Molmil](/molmil-images/mine/7us4) | Sars-Cov2 Main Protease in complex with CDD-1819 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | Deposit date: | 2022-04-22 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
|
|
5DXH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dxh by Molmil](/molmil-images/mine/5dxh) | p110alpha/p85alpha with compound 5 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | Deposit date: | 2015-09-23 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J.Med.Chem., 59, 2016
|
|
7UCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ucs by Molmil](/molmil-images/mine/7ucs) | |
7UCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uct by Molmil](/molmil-images/mine/7uct) | |
7UD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ud3 by Molmil](/molmil-images/mine/7ud3) | |
7UCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ucv by Molmil](/molmil-images/mine/7ucv) | |
7UCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ucz by Molmil](/molmil-images/mine/7ucz) | |
7UCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ucn by Molmil](/molmil-images/mine/7ucn) | |
7UD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ud1 by Molmil](/molmil-images/mine/7ud1) | |
3ILB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ilb by Molmil](/molmil-images/mine/3ilb) | |
2ZMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zmu by Molmil](/molmil-images/mine/2zmu) | Crystal Structure of Monomeric Kusabira-Orange (MKO), Orange-Emitting GFP-like Protein, at pH 9.1 | Descriptor: | Fluorescent protein | Authors: | Kikuchi, A, Fukumura, E, Karasawa, S, Mizuno, H, Miyawaki, A, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-04-21 | Release date: | 2008-10-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Characterization of a Thiazoline-Containing Chromophore in an Orange Fluorescent Protein, Monomeric Kusabira Orange Biochemistry, 47, 2008
|
|
2ZQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zq3 by Molmil](/molmil-images/mine/2zq3) | The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.6 angstroms resolution | Descriptor: | Lysozyme C, SODIUM ION | Authors: | Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Hirose, M. | Deposit date: | 2008-08-03 | Release date: | 2008-09-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution To be Published
|
|
2ZO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zo4 by Molmil](/molmil-images/mine/2zo4) | Crystal structure of metallo-beta-lactamase family protein TTHA1429 from Thermus thermophilus HB8 | Descriptor: | Metallo-beta-lactamase family protein, ZINC ION | Authors: | Yamamura, A, Nagata, K, Agari, Y, Ebihara, A, Nakagawa, N, Yokoyama, S, Kuramitsu, S, Tanokura, M. | Deposit date: | 2008-05-05 | Release date: | 2009-03-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of TTHA1429, a novel metallo-beta-lactamase superfamily protein from Thermus thermophilus HB8. Proteins, 73, 2008
|
|
3IGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3igo by Molmil](/molmil-images/mine/3igo) | Crystal structure of Cryptosporidium parvum CDPK1, cgd3_920 | Descriptor: | CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ... | Authors: | Wernimont, A.K, Artz, J.D, Finnerty, P, Amani, M, Allali-Hassanali, A, Vedadi, M, Tempel, W, MacKenzie, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-28 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium. Nat.Struct.Mol.Biol., 17, 2010
|
|
2Z5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z5z by Molmil](/molmil-images/mine/2z5z) | Crystal structure of the complex of buffalo Lactoperoxidase with fluoride ion at 3.5A resolution | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Sheikh, I.A, Jain, R, Singh, N, Sharma, S, Bhushan, A, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2007-07-20 | Release date: | 2007-08-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of the complex of buffalo Lactoperoxidase with fluoride ion at 3.5A resolution To be Published
|
|
2RLZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rlz by Molmil](/molmil-images/mine/2rlz) | Solid-State MAS NMR structure of the dimer Crh | Descriptor: | HPr-like protein crh | Authors: | Loquet, A, Bardiaux, B, Gardiennet, C, Blanchet, C, Baldus, M, Nilges, M, Malliavin, T, Bockmann, A. | Deposit date: | 2007-09-04 | Release date: | 2008-06-17 | Last modified: | 2024-05-29 | Method: | SOLID-STATE NMR | Cite: | 3D structure determination of the Crh protein from highly ambiguous solid-state NMR restraints. J.Am.Chem.Soc., 130, 2008
|
|
5DXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dxt by Molmil](/molmil-images/mine/5dxt) | p110alpha with GDC-0326 | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | Deposit date: | 2015-09-23 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J.Med.Chem., 59, 2016
|
|