7TGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tgs by Molmil](/molmil-images/mine/7tgs) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor JOMBt | Descriptor: | (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
|
|
7TH7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7th7 by Molmil](/molmil-images/mine/7th7) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B23 | Descriptor: | 3-(4'-{[(4S,7S,11R,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,13,14,15,16,17,18,19,20,21,22-icosahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)propanoic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-10 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
|
|
7TGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tgu by Molmil](/molmil-images/mine/7tgu) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B1 | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
|
|
7THC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7thc by Molmil](/molmil-images/mine/7thc) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B25 | Descriptor: | 3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)prop-2-ynoic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-10 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
|
|
7THD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7thd by Molmil](/molmil-images/mine/7thd) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B52 | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, [(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)methyl]propanedioic acid | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-10 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
|
|
7TGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tgt by Molmil](/molmil-images/mine/7tgt) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor A26 | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
|
|
7JRA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jra by Molmil](/molmil-images/mine/7jra) | |
7TH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7th6 by Molmil](/molmil-images/mine/7th6) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B21 | Descriptor: | 4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[1,1'-biphenyl]-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-10 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
|
|
2MX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mx0 by Molmil](/molmil-images/mine/2mx0) | Solution structure of HP0268 from Helicobacter pylori | Descriptor: | Uncharacterized protein HP_0268 | Authors: | Lee, K.Y. | Deposit date: | 2014-12-05 | Release date: | 2015-12-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure-based functional identification of Helicobacter pylori HP0268 as a nuclease with both DNA nicking and RNase activities Nucleic Acids Res., 43, 2015
|
|
1YOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yok by Molmil](/molmil-images/mine/1yok) | crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Nuclear receptor coactivator 2, Orphan nuclear receptor NR5A2 | Authors: | Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, MacKay, J.A, Juzumiene, D, Bynum, J.M, Madauss, K, Montana, V, Lebedeva, L, Suzawa, M, Williams, J.D, Williams, S.P, Guy, R.K, Thornton, J.W, Fletterick, R.J, Willson, T.M, Ingraham, H.A. | Deposit date: | 2005-01-27 | Release date: | 2005-07-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1. Cell(Cambridge,Mass.), 120, 2005
|
|
4D9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d9z by Molmil](/molmil-images/mine/4d9z) | Lysozyme at 318K | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Sharma, P, Ashish | Deposit date: | 2012-01-12 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.709 Å) | Cite: | Characterization of heat induced spherulites of lysozyme reveals new insight on amyloid initiation Sci Rep, 6, 2016
|
|
6G68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g68 by Molmil](/molmil-images/mine/6g68) | |
6G6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g6h by Molmil](/molmil-images/mine/6g6h) | |
6FMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fmd by Molmil](/molmil-images/mine/6fmd) | Targeting myeloid differentiation using potent human dihydroorotate dehydrogenase (hDHODH) inhibitors based on 2-hydroxypyrazolo[1,5-a]pyridine scaffold | Descriptor: | 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Goyal, P, Jarva, M, Andersson, M, Lolli, M.L, Friemann, R. | Deposit date: | 2018-01-30 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors. J. Med. Chem., 61, 2018
|
|
1YQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yqq by Molmil](/molmil-images/mine/1yqq) | Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene | Descriptor: | GUANINE, PHOSPHATE ION, Xanthosine phosphorylase | Authors: | Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M. | Deposit date: | 2005-02-02 | Release date: | 2005-04-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Escherichia coli Purine Nucleoside Phosphorylase II, the Product of the xapA Gene J.Mol.Biol., 348, 2005
|
|
5J9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j9g by Molmil](/molmil-images/mine/5j9g) | |
7TI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ti4 by Molmil](/molmil-images/mine/7ti4) | |
7TI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ti5 by Molmil](/molmil-images/mine/7ti5) | |
6G66
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g66 by Molmil](/molmil-images/mine/6g66) | |
6G6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g6b by Molmil](/molmil-images/mine/6g6b) | |
6G6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g6f by Molmil](/molmil-images/mine/6g6f) | |
5JAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jad by Molmil](/molmil-images/mine/5jad) | |
4EN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4en4 by Molmil](/molmil-images/mine/4en4) | Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K. | Deposit date: | 2012-04-12 | Release date: | 2012-05-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition. Plos One, 7, 2012
|
|
6FKT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fkt by Molmil](/molmil-images/mine/6fkt) | |
4E7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e7f by Molmil](/molmil-images/mine/4e7f) | E. cloacae C115D MurA in complex with UDP | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | Authors: | Zhu, J.-Y, Betzi, S, Yang, Y, Schonbrunn, E. | Deposit date: | 2012-03-16 | Release date: | 2013-03-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Open-close transition of MurA To be Published
|
|