5D8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d8d by Molmil](/molmil-images/mine/5d8d) | |
3RQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rqw by Molmil](/molmil-images/mine/3rqw) | Crystal structure of acetylcholine bound to a prokaryotic pentameric ligand-gated ion channel, ELIC | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYLCHOLINE, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, ... | Authors: | Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P. | Deposit date: | 2011-04-28 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.913 Å) | Cite: | Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine. Nat Commun, 3, 2012
|
|
5DMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dmx by Molmil](/molmil-images/mine/5dmx) | |
2I87
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i87 by Molmil](/molmil-images/mine/2i87) | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | Descriptor: | D-alanine-D-alanine ligase, SULFATE ION | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R. | Deposit date: | 2006-09-01 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies. Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2I80
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i80 by Molmil](/molmil-images/mine/2i80) | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | Descriptor: | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, D-alanine-D-alanine ligase | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M.-M, Tomich, P.K, Lin, A.H, Marotti, K.R. | Deposit date: | 2006-08-31 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies. Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
3RQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rqu by Molmil](/molmil-images/mine/3rqu) | Crystal structure of a prokaryotic pentameric ligand-gated ion channel, ELIC | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, GLYCEROL | Authors: | Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P. | Deposit date: | 2011-04-28 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine. Nat Commun, 3, 2012
|
|
2I8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i8c by Molmil](/molmil-images/mine/2i8c) | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine-D-alanine ligase, MAGNESIUM ION, ... | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R. | Deposit date: | 2006-09-01 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies. Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
4ISJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4isj by Molmil](/molmil-images/mine/4isj) | RNA Ligase RtcB in complex with Mn(II) | Descriptor: | MANGANESE (II) ION, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ... | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | Deposit date: | 2013-01-16 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.344 Å) | Cite: | Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation. Biochemistry, 52, 2013
|
|
4IT0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4it0 by Molmil](/molmil-images/mine/4it0) | Structure of the RNA ligase RtcB-GMP/Mn(II) complex | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | Deposit date: | 2013-01-17 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation. Biochemistry, 52, 2013
|
|
4XTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xtx by Molmil](/molmil-images/mine/4xtx) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 57 with azide in place of ribose 2'OH | Descriptor: | 1,2-ETHANEDIOL, 9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.30010319 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
|
|
4ISZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4isz by Molmil](/molmil-images/mine/4isz) | RNA ligase RtcB in complex with GTP alphaS and Mn(II) | Descriptor: | GUANOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | Deposit date: | 2013-01-17 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation. Biochemistry, 52, 2013
|
|
4XTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xty by Molmil](/molmil-images/mine/4xty) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 63 with Fluorine in place of 2'OH | Descriptor: | 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.80002666 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
|
|
2DXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dxt by Molmil](/molmil-images/mine/2dxt) | |
4XTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xtw by Molmil](/molmil-images/mine/4xtw) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with azide in place of 2'OH | Descriptor: | 1,2-ETHANEDIOL, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.30014467 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
|
|
4XTZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xtz by Molmil](/molmil-images/mine/4xtz) | |
4XTU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xtu by Molmil](/molmil-images/mine/4xtu) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) | Descriptor: | Bifunctional ligase/repressor BirA, N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6500299 Å) | Cite: | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) To be Published
|
|
4XU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xu2 by Molmil](/molmil-images/mine/4xu2) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose | Descriptor: | 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8500284 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
|
|
4XU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xu0 by Molmil](/molmil-images/mine/4xu0) | |
4XU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xu3 by Molmil](/molmil-images/mine/4xu3) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has an acyclic ether in place of the ribose | Descriptor: | Bifunctional ligase/repressor BirA, CHLORIDE ION, N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.242677 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
|
|
4XTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xtv by Molmil](/molmil-images/mine/4xtv) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 36 (N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) | Descriptor: | Bifunctional ligase/repressor BirA, N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45000839 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
|
|
4XU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xu1 by Molmil](/molmil-images/mine/4xu1) | |
4ZJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zjz by Molmil](/molmil-images/mine/4zjz) | Crystal structure of a benzoate coenzyme A ligase with Benzoyl-AMP | Descriptor: | 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine, BENZOIC ACID, Benzoate-coenzyme A ligase, ... | Authors: | Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H. | Deposit date: | 2015-04-29 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity. Biochemistry, 54, 2015
|
|
2RSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rsd by Molmil](/molmil-images/mine/2rsd) | Solution structure of the plant homeodomain (PHD) of the E3 SUMO ligase Siz1 from rice | Descriptor: | E3 SUMO-protein ligase SIZ1, ZINC ION | Authors: | Shindo, H, Tsuchiya, W, Suzuki, R, Yamazaki, T. | Deposit date: | 2012-01-12 | Release date: | 2012-08-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | PHD finger of the SUMO ligase Siz/PIAS family in rice reveals specific binding for methylated histone H3 at lysine 4 and arginine 2 Febs Lett., 586, 2012
|
|
3IG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ig8 by Molmil](/molmil-images/mine/3ig8) | |
3NI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ni2 by Molmil](/molmil-images/mine/3ni2) | Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-coumarate:CoA ligase, 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine | Authors: | Hu, Y, Yin, L, Gai, Y, Wang, X.X, Wang, D.C. | Deposit date: | 2010-06-14 | Release date: | 2010-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms Plant Cell, 22, 2010
|
|