5MMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mmo by Molmil](/molmil-images/mine/5mmo) | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with [3-(3-ethyl-ureido)-5-(pyridin-4-yl)-isoquinolin-8-yl-methyl]-carbamic acid prop-2-ynyl ester | Descriptor: | DNA gyrase subunit B, PHOSPHATE ION, prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate | Authors: | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | Deposit date: | 2016-12-12 | Release date: | 2017-04-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
|
|
5MVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mvv by Molmil](/molmil-images/mine/5mvv) | Crystal structure of Plasmodium falciparum actin I- gelsolin segment 1 -CdATP complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-1, CADMIUM ION, ... | Authors: | Panneerselvam, S, Kumpula, E.-P, Kursula, I, Burkhardt, A, Meents, A. | Deposit date: | 2017-01-17 | Release date: | 2017-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rapid cadmium SAD phasing at the standard wavelength (1 angstrom ). Acta Crystallogr D Struct Biol, 73, 2017
|
|
5MYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5myy by Molmil](/molmil-images/mine/5myy) | Hen Egg-White Lysozyme (HEWL) cocrystallized in the presence of Cadmium sulphate | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | Authors: | Panneerselvam, S, Burkhardt, A, Meents, A. | Deposit date: | 2017-01-30 | Release date: | 2017-07-12 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Rapid cadmium SAD phasing at the standard wavelength (1 angstrom ). Acta Crystallogr D Struct Biol, 73, 2017
|
|
2WLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wls by Molmil](/molmil-images/mine/2wls) | Crystal structure of Mus musculus Acetylcholinesterase in complex with AMTS13 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pang, Y.P, Ekstrom, F, Polsinelli, G.A, Gao, Y, Rana, S, Hua, D.H, Andersson, B, Andersson, P.O, Peng, L, Singh, S.K, Mishra, R.K, Zhu, K.Y, Fallon, A.M, Ragsdale, D.W, Brimijoin, S. | Deposit date: | 2009-06-25 | Release date: | 2009-09-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Selective and Irreversible Inhibitors of Mosquito Acetylcholinesterases for Controlling Malaria and Other Mosquito-Borne Diseases. Plos One, 4, 2009
|
|
6FBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fbo by Molmil](/molmil-images/mine/6fbo) | Human Methionine Adenosyltransferase II mutant (S114A) in I222 crystal form | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ADENOSINE, ... | Authors: | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2017-12-19 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
|
|
5NIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nia by Molmil](/molmil-images/mine/5nia) | |
5NID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nid by Molmil](/molmil-images/mine/5nid) | |
5NI6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ni6 by Molmil](/molmil-images/mine/5ni6) | Crystal structure of human LTA4H mutant D375N in complex with LTA4 | Descriptor: | 5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid, ACETIC ACID, Leukotriene A-4 hydrolase, ... | Authors: | Stsiapanava, A. | Deposit date: | 2017-03-23 | Release date: | 2017-08-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6FRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6frj by Molmil](/molmil-images/mine/6frj) | Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ... | Authors: | Companon, I, Castro-Lopez, J, Escudero-Casao, M, Avenoza, A, Busto, J.H, Castillon, S, Jimenez-Barbero, J, Bernardes, G.J, Boutureira, O, Jimenez-Oses, G, Asensio, J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2018-02-16 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage. J. Am. Chem. Soc., 141, 2019
|
|
5MMN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mmn by Molmil](/molmil-images/mine/5mmn) | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea | Descriptor: | 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea, DNA gyrase subunit B | Authors: | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | Deposit date: | 2016-12-12 | Release date: | 2017-04-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
|
|
5AEL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ael by Molmil](/molmil-images/mine/5ael) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597 | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate) | Authors: | Yang, G, Oldfield, E, No, J.H. | Deposit date: | 2014-12-26 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation. Antimicrob.Agents Chemother., 59, 2015
|
|
3ARR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3arr by Molmil](/molmil-images/mine/3arr) | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with PENTOXIFYLLINE | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, Chitinase A | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | Deposit date: | 2010-12-09 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
|
|
3AS2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3as2 by Molmil](/molmil-images/mine/3as2) | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with Propentofylline | Descriptor: | 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione, Chitinase A | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | Deposit date: | 2010-12-09 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
|
|
6FCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fcd by Molmil](/molmil-images/mine/6fcd) | Human Methionine Adenosyltransferase II mutant (R264A) | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2017-12-20 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
|
|
3ARS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ars by Molmil](/molmil-images/mine/3ars) | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - apo structure of mutant W275G | Descriptor: | Chitinase A | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | Deposit date: | 2010-12-09 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
|
|
5NI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ni2 by Molmil](/molmil-images/mine/5ni2) | |
3ARU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3aru by Molmil](/molmil-images/mine/3aru) | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with PENTOXIFYLLINE | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, Chitinase A | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | Deposit date: | 2010-12-09 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
|
|
5MMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mmp by Molmil](/molmil-images/mine/5mmp) | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea | Descriptor: | 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B | Authors: | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | Deposit date: | 2016-12-12 | Release date: | 2017-04-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
|
|
5D7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d7u by Molmil](/molmil-images/mine/5d7u) | Crystal structure of the C-terminal domain of MMTV integrase | Descriptor: | ISOPROPYL ALCOHOL, Pr160 | Authors: | Cook, N.J, Pye, V.E, Ballandras-Colas, A, Engelman, A, Cherepanov, P. | Deposit date: | 2015-08-14 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function. Nature, 530, 2016
|
|
5N7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n7b by Molmil](/molmil-images/mine/5n7b) | Understanding the singular conformational landscape of the Tn antigens: Sulfur-for- oxygen substitution in the glycosidic linkage provides new insights into molecular recognition by an antibody | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD(CG6)RP(NH2) peptide, ... | Authors: | Companon, I, Martinez-Saez, N, Castro-Lopez, J, Jimenez-Barbero, J, Bernardes, G.J.L, Busto, J.H, Avenoza, A, Jimenez-Oses, G, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F. | Deposit date: | 2017-02-20 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage. J.Am.Chem.Soc., 141, 2019
|
|
2XV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xv7 by Molmil](/molmil-images/mine/2xv7) | Crystal structure of vascular endothelial growth factor D | Descriptor: | VASCULAR ENDOTHELIAL GROWTH FACTOR D, alpha-D-mannopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Leppanen, V.-M, Jeltsch, M, Anisimov, A, Tvorogov, D, Aho, K, Kalkkinen, N, Toivanen, P, Yla-Herttuala, S, Ballmer-Hofer, K, Alitalo, K. | Deposit date: | 2010-10-23 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Determinants of Vascular Endothelial Growth Factor-D - Receptor Binding and Specificity. Blood, 117, 2011
|
|
5NIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nie by Molmil](/molmil-images/mine/5nie) | |
5AFX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5afx by Molmil](/molmil-images/mine/5afx) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238 | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | Authors: | Yang, G, Oldfield, E, No, J.H. | Deposit date: | 2015-01-27 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation. Antimicrob.Agents Chemother., 59, 2015
|
|
6G6R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g6r by Molmil](/molmil-images/mine/6g6r) | Human Methionine Adenosyltransferase II with SAMe and PPNP | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
|
|
3BM3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bm3 by Molmil](/molmil-images/mine/3bm3) | Restriction endonuclease PspGI-substrate DNA complex | Descriptor: | CITRIC ACID, DNA (5'-D(*CP*AP*TP*CP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*GP*GP*AP*T)-3'), ... | Authors: | Szczepanowski, R.H, Carpenter, M, Czapinska, H, Tamulaitis, G, Siksnys, V, Bhagwat, A, Bochtler, M. | Deposit date: | 2007-12-12 | Release date: | 2008-09-16 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A direct crystallographic demonstration that Type II restriction endonuclease PspGI flips nucleotides To be Published
|
|