8D9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d9y by Molmil](/molmil-images/mine/8d9y) | Crystal structure of Taipan alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Centi-3FTX-D09 Fab heavy chain, ... | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | Deposit date: | 2022-06-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Venom protection by antibody from a snakebite hyperimmune subject To Be Published
|
|
8RJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rj4 by Molmil](/molmil-images/mine/8rj4) | E. coli adenylate kinase in complex with two ADP molecules and Mg2+ as a result of enzymatic AP4A hydrolysis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, CHLORIDE ION, ... | Authors: | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2023-12-20 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Magnesium Induced Structural Preorganization in the Active Site of Adenylate Kinase. Sci Adv, 2024
|
|
8RJ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rj6 by Molmil](/molmil-images/mine/8rj6) | E. coli adenylate kinase in complex with ATP and AMP and Mg2+ as a result of enzymatic AP4A hydrolysis. | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2023-12-20 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Magnesium Induced Structural Preorganization in the Active Site of Adenylate Kinase. Sci Adv, 2024
|
|
8GT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gt7 by Molmil](/molmil-images/mine/8gt7) | Structure of falcipain and human Stefin A mutant complex | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Cystatin-A, ... | Authors: | Chakraborty, S, Biswas, S. | Deposit date: | 2022-09-07 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structure of falcipain and human Stefin A complex To Be Published
|
|
5M8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m8w by Molmil](/molmil-images/mine/5m8w) | PCE reductive dehalogenase from S. multivorans in complex with 4-chlorophenol | Descriptor: | 4-chlorophenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.279 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
|
|
6F4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f4z by Molmil](/molmil-images/mine/6f4z) | |
8T2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t2h by Molmil](/molmil-images/mine/8t2h) | DYRK1A complex with DYR530 | Descriptor: | (4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL, ... | Authors: | Montfort, W.R, Basantes, L.E. | Deposit date: | 2023-06-06 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of DYR684, a Potent, Selective, Metabolically Stable, DYRK1A/B PROTAC utilizing a Novel Cereblon Molecular Glue To Be Published
|
|
1FDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fdi by Molmil](/molmil-images/mine/1fdi) | OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI COMPLEXED WITH THE INHIBITOR NITRITE | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FORMATE DEHYDROGENASE H, IRON/SULFUR CLUSTER, ... | Authors: | Sun, P.D, Boyington, J.C. | Deposit date: | 1997-01-28 | Release date: | 1997-08-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of formate dehydrogenase H: catalysis involving Mo, molybdopterin, selenocysteine, and an Fe4S4 cluster. Science, 275, 1997
|
|
8SKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8skf by Molmil](/molmil-images/mine/8skf) | |
5MX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mx8 by Molmil](/molmil-images/mine/5mx8) | |
5MU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mu5 by Molmil](/molmil-images/mine/5mu5) | Structure of MAf glycosyltransferase from Magnetospirillum magneticum AMB-1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Murat, D, Vincentelli, R, Wu, L.F, Guerardel, Y, Alberto, F. | Deposit date: | 2017-01-12 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Glycosylate and move! The glycosyltransferase Maf is involved in bacterial flagella formation. Environ. Microbiol., 20, 2018
|
|
6FIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fiw by Molmil](/molmil-images/mine/6fiw) | |
8E63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e63 by Molmil](/molmil-images/mine/8e63) | Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl sulfane inhibitor | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
|
|
8E68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e68 by Molmil](/molmil-images/mine/8e68) | Crystal structure of SARS-CoV-2 3CL protease in complex with a p-fluorodimethyl oxybenzene inhibitor | Descriptor: | (1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
|
|
6PGL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pgl by Molmil](/molmil-images/mine/6pgl) | Structure of Kluyveromyces marxianus Usb1 with uridine monophosphate | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, GLYCEROL, ... | Authors: | Nomura, Y, Montemayor, E.J, Butcher, S.E. | Deposit date: | 2019-06-24 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Structural basis for the evolution of cyclic phosphodiesterase activity in the U6 snRNA exoribonuclease Usb1. Nucleic Acids Res., 48, 2020
|
|
6BM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bm7 by Molmil](/molmil-images/mine/6bm7) | Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer in complex with pyrimidineamine inhibitor UTSAM568 | Descriptor: | 1,4-DIAMINOBUTANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium, ... | Authors: | Volkov, O.A, Chen, Z, Phillips, M.A. | Deposit date: | 2017-11-13 | Release date: | 2018-01-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Species-Selective Pyrimidineamine Inhibitors of Trypanosoma brucei S-Adenosylmethionine Decarboxylase. J. Med. Chem., 61, 2018
|
|
6F9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f9r by Molmil](/molmil-images/mine/6f9r) | Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cozier, G.E, Acharya, K.R. | Deposit date: | 2017-12-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity. FEBS J., 285, 2018
|
|
1FCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fcx by Molmil](/molmil-images/mine/1fcx) | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID BMS184394 | Descriptor: | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | Authors: | Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-07-19 | Release date: | 2000-09-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural basis for isotype selectivity of the human retinoic acid nuclear receptor. J.Mol.Biol., 302, 2000
|
|
8SKI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ski by Molmil](/molmil-images/mine/8ski) | |
5MZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mzq by Molmil](/molmil-images/mine/5mzq) | X-ray structure of the M205W mutant of GLIC in complex with bromoform | Descriptor: | (3R)-3-(dodecanoyloxy)tetradecanoic acid, 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, ... | Authors: | Fourati, Z, Delarue, M. | Deposit date: | 2017-02-01 | Release date: | 2018-02-28 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep, 23, 2018
|
|
5MZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mzk by Molmil](/molmil-images/mine/5mzk) | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid | Descriptor: | 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-01-31 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
|
|
6FHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fhc by Molmil](/molmil-images/mine/6fhc) | |
6P9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p9m by Molmil](/molmil-images/mine/6p9m) | |
8T1Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t1y by Molmil](/molmil-images/mine/8t1y) | |
8T1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t1z by Molmil](/molmil-images/mine/8t1z) | |