7F98
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f98 by Molmil](/molmil-images/mine/7f98) | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Malhotra, N, Manickam, Y, Sharma, A. | Deposit date: | 2021-07-04 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
|
|
7F9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f9d by Molmil](/molmil-images/mine/7f9d) | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | Descriptor: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | Authors: | Manickam, Y, Malhotra, N, Sharma, A. | Deposit date: | 2021-07-04 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
|
|
7F9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f9b by Molmil](/molmil-images/mine/7f9b) | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Manickam, Y, Malhotra, N, Sharma, A. | Deposit date: | 2021-07-04 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
|
|
7F9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f9c by Molmil](/molmil-images/mine/7f9c) | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | Descriptor: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | Authors: | Malhotra, N, Manickam, Y, Sharma, A. | Deposit date: | 2021-07-04 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
|
|
7F99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f99 by Molmil](/molmil-images/mine/7f99) | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | Descriptor: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | Authors: | Manickam, Y, Malhotra, N, Sharma, A. | Deposit date: | 2021-07-04 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
|
|
2GHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ghb by Molmil](/molmil-images/mine/2ghb) | Thermotoga maritima maltotriose binding protein, ligand free form | Descriptor: | maltose ABC transporter, periplasmic maltose-binding protein | Authors: | Cuneo, M.J, Changela, A, Hocker, B, Beese, L.S, Hellinga, H.W. | Deposit date: | 2006-03-27 | Release date: | 2007-02-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | T. maritima maltotriose binding protein open form To be Published
|
|
2GHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gha by Molmil](/molmil-images/mine/2gha) | Thermotoga maritima maltotriose binding protein bound with maltotriose | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose ABC transporter, periplasmic maltose-binding protein | Authors: | Cuneo, M.J, Changela, A, Hocker, B, Beese, L.S, Hellinga, H.W. | Deposit date: | 2006-03-27 | Release date: | 2007-02-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | T. maritima maltotriose binding protein To be Published
|
|
3P5V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p5v by Molmil](/molmil-images/mine/3p5v) | Actinidin from Actinidia arguta planch (Sarusashi) | Descriptor: | Actinidin, CADMIUM ION | Authors: | Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. | Deposit date: | 2010-10-11 | Release date: | 2010-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources Acta Crystallogr.,Sect.D, 66, 2010
|
|
5Z79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z79 by Molmil](/molmil-images/mine/5z79) | Crystal Structure Analysis of the HPPK-DHPS in complex with substrates | Descriptor: | 4-AMINOBENZOIC ACID, 5'-DEOXYADENOSINE, 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE, ... | Authors: | Manickam, Y, Karl, H, Sharma, A. | Deposit date: | 2018-01-27 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase-dihydropteroate synthase fromPlasmodium vivaxsheds light on drug resistance J. Biol. Chem., 293, 2018
|
|
3LMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lmu by Molmil](/molmil-images/mine/3lmu) | Crystal structure of DTD from Plasmodium falciparum | Descriptor: | D-tyrosyl-tRNA(Tyr) deacylase, IODIDE ION | Authors: | Manickam, Y, Bhatt, T.K, Khan, S, Sharma, A. | Deposit date: | 2010-02-01 | Release date: | 2010-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states Acta Crystallogr.,Sect.D, 66, 2010
|
|
6CPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cpw by Molmil](/molmil-images/mine/6cpw) | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | Descriptor: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Hruza, A, Hruza, A. | Deposit date: | 2018-03-14 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
|
|
3LMT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lmt by Molmil](/molmil-images/mine/3lmt) | Crystal structure of DTD from Plasmodium falciparum | Descriptor: | D-tyrosyl-tRNA(Tyr) deacylase, IODIDE ION | Authors: | Manickam, Y, Bhatt, T.K, Khan, S, Sharma, A. | Deposit date: | 2010-02-01 | Release date: | 2010-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states Acta Crystallogr.,Sect.D, 66, 2010
|
|
3LMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lmv by Molmil](/molmil-images/mine/3lmv) | D-Tyr-tRNA(Tyr) Deacylase from plasmodium falciparum in complex with hepes | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D-tyrosyl-tRNA(Tyr) deacylase, SULFITE ION | Authors: | Manickam, Y, Khan, S, Bhatt, T.K, Sharma, A. | Deposit date: | 2010-02-01 | Release date: | 2010-03-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.833 Å) | Cite: | Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states Acta Crystallogr.,Sect.D, 66, 2010
|
|
4HJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hjm by Molmil](/molmil-images/mine/4hjm) | |
1TX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tx4 by Molmil](/molmil-images/mine/1tx4) | RHO/RHOGAP/GDP(DOT)ALF4 COMPLEX | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, P50-RHOGAP, ... | Authors: | Rittinger, K, Walker, P.A, Smerdon, S.J, Gamblin, S.J. | Deposit date: | 1997-07-29 | Release date: | 1998-09-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure at 1.65 A of RhoA and its GTPase-activating protein in complex with a transition-state analogue. Nature, 389, 1997
|
|
1MG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mg5 by Molmil](/molmil-images/mine/1mg5) | Crystal structure of Drosophila melanogaster alcohol dehydrogenase complexed with NADH and acetate at 1.6 A | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETATE ION, alcohol dehydrogenase | Authors: | Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R. | Deposit date: | 2002-08-14 | Release date: | 2003-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Drosophila alcohol dehydrogenase: acetate-enzyme interactions and novel insights into the effects of electrostatics on catalysis J.Mol.Biol., 345, 2005
|
|
2Q2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q2l by Molmil](/molmil-images/mine/2q2l) | Crystal Structure of Superoxide Dismutase from P. atrosanguina | Descriptor: | IODIDE ION, Superoxide Dismutase, ZINC ION | Authors: | Manickam, Y, Gill, J, Mishra, P.C, Sharma, A. | Deposit date: | 2007-05-29 | Release date: | 2008-03-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.367 Å) | Cite: | SAD phasing of a structure based on cocrystallized iodides using an in-house Cu Kalpha X-ray source: effects of data redundancy and completeness on structure solution Acta Crystallogr.,Sect.D, 63, 2007
|
|
4HP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hp0 by Molmil](/molmil-images/mine/4hp0) | Crystal Structure of Hen Egg White Lysozyme in complex with GN3-M | Descriptor: | 1-DEOXYNOJIRIMYCIN, 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, Lysozyme C | Authors: | Umemoto, N, Numata, T, Ohnuma, T, Fukamizo, T. | Deposit date: | 2012-10-23 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | A novel transition-state analogue for lysozyme, 4-O-beta-tri-N-acetylchitotriosyl moranoline, provided evidence supporting the covalent glycosyl-enzyme intermediate. J.Biol.Chem., 288, 2013
|
|
4HPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hpi by Molmil](/molmil-images/mine/4hpi) | Crystal Structure of Hen Egg White Lysozyme complex with GN2-M | Descriptor: | 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C | Authors: | Umemoto, N, Numata, T, Ohnuma, T, Fukamizo, T. | Deposit date: | 2012-10-23 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | A novel transition-state analogue for lysozyme, 4-O-beta-tri-N-acetylchitotriosyl moranoline, provided evidence supporting the covalent glycosyl-enzyme intermediate. J.Biol.Chem., 288, 2013
|
|
1LM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lm4 by Molmil](/molmil-images/mine/1lm4) | Structure of Peptide Deformylase from Staphylococcus aureus at 1.45 A | Descriptor: | FE (III) ION, GLYCEROL, peptide deformylase PDF1 | Authors: | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A. | Deposit date: | 2002-04-30 | Release date: | 2003-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase J.MOL.BIOL., 330, 2003
|
|
1LM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lm6 by Molmil](/molmil-images/mine/1lm6) | Crystal Structure of Peptide Deformylase from Streptococcus pneumoniae | Descriptor: | FE (III) ION, GLYCEROL, peptide deformylase DEFB | Authors: | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A. | Deposit date: | 2002-04-30 | Release date: | 2003-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase J.MOL.BIOL., 330, 2003
|
|
2BUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2buf by Molmil](/molmil-images/mine/2buf) | Arginine Feed-Back Inhibitable Acetylglutamate Kinase | Descriptor: | ACETYLGLUTAMATE KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Ramon-Maiques, S, Fernandez-Murga, M.L, Vagin, A, Fita, I, Rubio, V. | Deposit date: | 2005-06-12 | Release date: | 2005-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Bases of Feed-Back Control of Arginine Biosynthesis, Revealed by the Structure of Two Hexameric N-Acetylglutamate Kinases, from Thermotoga Maritima and Pseudomonas Aeruginosa J.Mol.Biol., 356, 2006
|
|
1N5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n5n by Molmil](/molmil-images/mine/1n5n) | Crystal Structure of Peptide Deformylase from Pseudomonas aeruginosa | Descriptor: | GLYCEROL, Peptide deformylase, ZINC ION | Authors: | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A. | Deposit date: | 2002-11-06 | Release date: | 2003-06-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase J.MOL.BIOL., 330, 2003
|
|
3VKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vke by Molmil](/molmil-images/mine/3vke) | |
5OA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oa0 by Molmil](/molmil-images/mine/5oa0) | Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, W164F) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, STRYCHNINE, ... | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | Deposit date: | 2017-06-20 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein. Iucrj, 6, 2019
|
|