2IEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ieo by Molmil](/molmil-images/mine/2ieo) | Crystal structure analysis of HIV-1 protease mutant I84V with a potent non-peptide inhibitor (UIC-94017) | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Protease, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-09-19 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol., 338, 2004
|
|
1PC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pc0 by Molmil](/molmil-images/mine/1pc0) | |
6MBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mbu by Molmil](/molmil-images/mine/6mbu) | Crystal structure of wild-type KRAS (1-169) bound to GDP and Mg (Space group P3) | Descriptor: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K. | Deposit date: | 2018-08-30 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation. Sci Rep, 9, 2019
|
|
6M7G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m7g by Molmil](/molmil-images/mine/6m7g) | Crystal structure of ArsN, N-acetyltransferase with substrate phosphinothricin from Pseudomonas putida KT2440 | Descriptor: | PHOSPHINOTHRICIN, Phosphinothricin N-acetyltransferase | Authors: | Venkadesh, S, Dheeman, D.S, Yoshinaga, M, Kandavelu, P, Rosen, B.P. | Deposit date: | 2018-08-20 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.657 Å) | Cite: | Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic. Commun Biol, 2, 2019
|
|
6MBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mbt by Molmil](/molmil-images/mine/6mbt) | Crystal structure of wild-type KRAS bound to GDP and Mg (Space group C2) | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K. | Deposit date: | 2018-08-30 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation. Sci Rep, 9, 2019
|
|
3RIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rix by Molmil](/molmil-images/mine/3rix) | 1.7A resolution structure of a firefly luciferase-Aspulvinone J inhibitor complex | Descriptor: | (5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one, Luciferin 4-monooxygenase | Authors: | Lovell, S, Battaile, K.P, Lopez, P.C, Auld, D.S, Schultz, P.J, MacArthur, R, Shen, M, Tamayo, G, Inglese, J, Sherman, D.H. | Deposit date: | 2011-04-14 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Titration-based screening for evaluation of natural product extracts: identification of an aspulvinone family of luciferase inhibitors. Chem.Biol., 18, 2011
|
|
6MBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mbq by Molmil](/molmil-images/mine/6mbq) | Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1 conformation | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Dharmaiah, S, Davies, D.R, Abendroth, J, Gillette, W.G, Stephen, A.G, Simanshu, D.K. | Deposit date: | 2018-08-30 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation. Sci Rep, 9, 2019
|
|
1P82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1p82 by Molmil](/molmil-images/mine/1p82) | NMR STRUCTURE OF 1-25 FRAGMENT OF MYCOBACTERIUM TUBERCULOSIS CPN10 | Descriptor: | 10 kDa chaperonin | Authors: | Ciutti, A, Spiga, O, Giannozzi, E, Scarselli, M, Di Maro, D, Calamandrei, D, Niccolai, N, Bernini, A. | Deposit date: | 2003-05-06 | Release date: | 2003-05-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of 1-25 fragment of Cpn10 from Mycobacterium Tuberculosis To be Published
|
|
1T4P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t4p by Molmil](/molmil-images/mine/1t4p) | Arginase-dehydro-ABH complex | Descriptor: | Arginase 1, MANGANESE (II) ION, [(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-) | Authors: | Cama, E, Pethe, S, Boucher, J.-L, Han, S, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W. | Deposit date: | 2004-04-30 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibitor coordination interactions in the binuclear manganese cluster of arginase Biochemistry, 43, 2004
|
|
1T4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t4s by Molmil](/molmil-images/mine/1t4s) | arginase-L-valine complex | Descriptor: | Arginase 1, MANGANESE (II) ION, VALINE | Authors: | Cama, E, Pethe, S, Boucher, J.-L, Shoufa, H, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W. | Deposit date: | 2004-04-30 | Release date: | 2004-10-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibitor coordination interactions in the binuclear manganese cluster of arginase Biochemistry, 43, 2004
|
|
4LRB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lrb by Molmil](/molmil-images/mine/4lrb) | Phosphopentomutase S154G variant soaked with 2,3-dideoxyribose 5-phosphate | Descriptor: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, GLYCEROL, ... | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | Deposit date: | 2013-07-19 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
|
|
1JPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jpj by Molmil](/molmil-images/mine/1jpj) | GMPPNP Complex of SRP GTPase NG Domain | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, SIGNAL RECOGNITION PARTICLE PROTEIN | Authors: | Padmanabhan, S, Freymann, D.M. | Deposit date: | 2001-08-02 | Release date: | 2002-02-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The conformation of bound GMPPNP suggests a mechanism for gating the active site of the SRP GTPase. Structure, 9, 2001
|
|
4HZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hza by Molmil](/molmil-images/mine/4hza) | |
1JPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jpn by Molmil](/molmil-images/mine/1jpn) | GMPPNP Complex of SRP GTPase NG Domain | Descriptor: | ACETIC ACID, CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Padmanabhan, S, Freymann, D.M. | Deposit date: | 2001-08-02 | Release date: | 2002-02-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The conformation of bound GMPPNP suggests a mechanism for gating the active site of the SRP GTPase. Structure, 9, 2001
|
|
4LR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lr8 by Molmil](/molmil-images/mine/4lr8) | Phosphopentomutase S154A variant soaked with ribose 5-phosphate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ... | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | Deposit date: | 2013-07-19 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
|
|
2C03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c03 by Molmil](/molmil-images/mine/2c03) | GDP COMPLEX OF SRP GTPASE FFH NG DOMAIN | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ramirez, U.D, Preininger, A.M, Freymann, D.M. | Deposit date: | 2005-08-25 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Nucleotide-Binding Flexibility in Ultrahigh-Resolution Structures of the Srp Gtpase Ffh Acta Crystallogr.,Sect.D, 64, 2008
|
|
2IDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2idw by Molmil](/molmil-images/mine/2idw) | Crystal structure analysis of HIV-1 protease mutant V82A with a potent non-peptide inhibitor (UIC-94017) | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-09-15 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol., 338, 2004
|
|
6P9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p9w by Molmil](/molmil-images/mine/6p9w) | Poliovirus (Type 1 Mahoney), receptor catalysed 135S particle map | Descriptor: | VP1, VP2, VP3 | Authors: | Hogle, J.M, Filman, D.J, Shah, P.N.M. | Deposit date: | 2019-06-10 | Release date: | 2020-06-10 | Last modified: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate. Plos Pathog., 16, 2020
|
|
4LR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lr9 by Molmil](/molmil-images/mine/4lr9) | Phosphopentomutase S154A variant soaked with 2,3-dideoxyribose 5-phosphate | Descriptor: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | Deposit date: | 2013-07-19 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
|
|
3ZNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3znz by Molmil](/molmil-images/mine/3znz) | Crystal structure of OTULIN OTU domain (C129A) in complex with Met1- di ubiquitin | Descriptor: | POLYUBIQUITIN-C, PROTEIN FAM105B, SULFATE ION | Authors: | Keusekotten, K, Elliott, P.R, Glockner, L, Kulathu, Y, Wauer, T, Krappmann, D, Hofmann, K, Komander, D. | Deposit date: | 2013-02-18 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Otulin Antagonizes Lubac Signaling by Specifically Hydrolyzing met1-Linked Polyubiquitin. Cell(Cambridge,Mass.), 153, 2013
|
|
6P9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p9o by Molmil](/molmil-images/mine/6p9o) | |
2E7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e7r by Molmil](/molmil-images/mine/2e7r) | Crystal structure of Glu54 to Arg mutant of Diphthine synthase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Mizutani, H, Matsuura, Y, Krishna Swamy, B.S, Simanshu, D.K, Murthy, M.R.N, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-01-12 | Release date: | 2007-07-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of diphthine synthase from Pyrococcus horikoshii OT3 To be Published
|
|
3ZNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3znx by Molmil](/molmil-images/mine/3znx) | Crystal structure of the OTU domain of OTULIN D336A mutant | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Keusekotten, K, Elliott, P.R, Glockner, L, Kulathu, Y, Wauer, T, Krappmann, D, Hofmann, K, Komander, D. | Deposit date: | 2013-02-18 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Otulin Antagonizes Lubac Signaling by Specifically Hydrolyzing met1-Linked Polyubiquitin. Cell(Cambridge,Mass.), 153, 2013
|
|
6PSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6psz by Molmil](/molmil-images/mine/6psz) | Poliovirus (Type 1 Mahoney), heat-catalysed 135S particle | Descriptor: | VP1, VP2, VP3 | Authors: | Hogle, J.M, Filman, D.J, Shah, P.N.M. | Deposit date: | 2019-07-14 | Release date: | 2020-07-15 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate. Plos Pathog., 16, 2020
|
|
6NKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nkh by Molmil](/molmil-images/mine/6nkh) | |