4O5Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o5q by Molmil](/molmil-images/mine/4o5q) | Crystal Structure of the Alkylhydroperoxide Reductase AhpF from Escherichia coli | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkyl hydroperoxide reductase subunit F, CADMIUM ION, ... | Authors: | Dip, P.V, Kamariah, N, Manimekalai, M.S.S, Balakrishna, A.M, Gruber, G. | Deposit date: | 2013-12-20 | Release date: | 2014-11-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure, mechanism and ensemble formation of the alkylhydroperoxide reductase subunits AhpC and AhpF from Escherichia coli Acta Crystallogr.,Sect.D, 70, 2014
|
|
2FVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fvm by Molmil](/molmil-images/mine/2fvm) | |
1VRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vrh by Molmil](/molmil-images/mine/1vrh) | HRV14/SDZ 880-061 COMPLEX | Descriptor: | 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14 | Authors: | Oren, D.A, Zhang, A, Arnold, E. | Deposit date: | 1996-02-26 | Release date: | 1997-02-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14. J.Mol.Biol., 259, 1996
|
|
3TZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tza by Molmil](/molmil-images/mine/3tza) | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid at 1.9A resolution | Descriptor: | (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid, Glutamate receptor 2,Glutamate receptor 2, SULFATE ION | Authors: | Frydenvang, K, Kastrup, J.S. | Deposit date: | 2011-09-27 | Release date: | 2011-10-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A new phenylalanine derivative acts as an antagonist at the AMPA receptor GluA2 and introduces partial domain closure: synthesis, resolution, pharmacology, and crystal structure J.Med.Chem., 54, 2011
|
|
2FSU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fsu by Molmil](/molmil-images/mine/2fsu) | Crystal Structure of the PhnH Protein from Escherichia Coli | Descriptor: | ACETATE ION, Protein phnH, SODIUM ION | Authors: | Adams, M.A, Luo, Y, Zechel, D.L, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2006-01-23 | Release date: | 2007-03-27 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of PhnH: an essential component of carbon-phosphorus lyase in Escherichia coli. J.Bacteriol., 190, 2008
|
|
4FB3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fb3 by Molmil](/molmil-images/mine/4fb3) | Polyomavirus T-ag binds symmetrical repeats at the viral origin in an asymmetrical manner | Descriptor: | Large T antigen, ORI DNA oligonucleotide-Crick strand, ORI DNA oligonucleotide-Watson strand | Authors: | Bohm, A, Harrison, C.J, Schaffhausen, B.S, Jiang, T. | Deposit date: | 2012-05-22 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.79 Å) | Cite: | Polyomavirus large T antigen binds symmetrical repeats at the viral origin in an asymmetrical manner. J.Virol., 87, 2013
|
|
6XKR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xkr by Molmil](/molmil-images/mine/6xkr) | Structure of Sasanlimab Fab in complex with PD-1 | Descriptor: | GLYCEROL, Programmed cell death protein 1, Sasanlimab Fab Heavy chain, ... | Authors: | Kimberlin, C.R, Chin, S.M. | Deposit date: | 2020-06-27 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Pharmacologic Properties and Preclinical Activity of Sasanlimab, A High-affinity Engineered Anti-Human PD-1 Antibody. Mol.Cancer Ther., 19, 2020
|
|
1VIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vin by Molmil](/molmil-images/mine/1vin) | |
9FLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fla by Molmil](/molmil-images/mine/9fla) | |
4TWB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4twb by Molmil](/molmil-images/mine/4twb) | Sulfolobus solfataricus ribose-phosphate pyrophosphokinase | Descriptor: | ADENOSINE MONOPHOSPHATE, Ribose-phosphate pyrophosphokinase, SULFATE ION | Authors: | Kadziola, A. | Deposit date: | 2014-06-30 | Release date: | 2014-07-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structure of dimeric, recombinant Sulfolobus solfataricus phosphoribosyl diphosphate synthase: a bent dimer defining the adenine specificity of the substrate ATP. Extremophiles, 19, 2015
|
|
3EOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3eov by Molmil](/molmil-images/mine/3eov) | Crystal structure of cyclophilin from Leishmania donovani ligated with cyclosporin A | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE | Authors: | Venugopal, V, Dasgupta, D, Datta, A.K, Banerjee, R. | Deposit date: | 2008-09-29 | Release date: | 2008-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Cyclophilin from Leishmania Donovani Bound to Cyclosporin at 2.6 A Resolution: Correlation between Structure and Thermodynamic Data. Acta Crystallogr.,Sect.D, 65, 2009
|
|
4XB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xb6 by Molmil](/molmil-images/mine/4xb6) | Structure of the E. coli C-P lyase core complex | Descriptor: | Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, ... | Authors: | Brodersen, D.E. | Deposit date: | 2014-12-16 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the bacterial carbon-phosphorus lyase machinery. Nature, 525, 2015
|
|
5FHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fhm by Molmil](/molmil-images/mine/5fhm) | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-(aminomethyl)benzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at resolution 1.55 A resolution | Descriptor: | (2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Kastrup, J.S, Frydenvang, K, Al-musaed, A. | Deposit date: | 2015-12-22 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues. J.Med.Chem., 59, 2016
|
|
8VCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vcw by Molmil](/molmil-images/mine/8vcw) | X-Ray Crystal Structure of the biotin synthase from B. obeum | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Biotin synthase, ... | Authors: | Lachowicz, J.C, Grove, T.L. | Deposit date: | 2023-12-14 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Discovery of a Biotin Synthase That Utilizes an Auxiliary 4Fe-5S Cluster for Sulfur Insertion. J.Am.Chem.Soc., 146, 2024
|
|
5FHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fhn by Molmil](/molmil-images/mine/5fhn) | |
5FHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fho by Molmil](/molmil-images/mine/5fho) | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-chlorobenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 2.3 A resolution | Descriptor: | (1S)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2H-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Frydenvang, K, Kastrup, J.S. | Deposit date: | 2015-12-22 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues. J.Med.Chem., 59, 2016
|
|
4YMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ymb by Molmil](/molmil-images/mine/4ymb) | Structure of the ligand-binding domain of GluK1 in complex with the antagonist CNG10111 | Descriptor: | (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K. | Deposit date: | 2015-03-06 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid. J.Med.Chem., 58, 2015
|
|
8BLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bla by Molmil](/molmil-images/mine/8bla) | Human serotonin 5-HT3A receptor in complex with vortioxetine (detergent, ECD only, active/distorted conformation) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | Authors: | Lopez-Sanchez, U, Nury, H. | Deposit date: | 2022-11-09 | Release date: | 2024-05-15 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors. Nat.Struct.Mol.Biol., 31, 2024
|
|
8BL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bl8 by Molmil](/molmil-images/mine/8bl8) | Human serotonin 5-HT3A receptor (apo, active/distorted conformation) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A | Authors: | Lopez-Sanchez, U, Nury, H. | Deposit date: | 2022-11-09 | Release date: | 2024-05-15 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors. Nat.Struct.Mol.Biol., 31, 2024
|
|
8BLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8blb by Molmil](/molmil-images/mine/8blb) | Human serotonin 5-HT3A receptor in complex with vortioxetine (nanodiscs, ECD, active/distorted conformation) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | Authors: | Lopez-Sanchez, U, Nury, H. | Deposit date: | 2022-11-09 | Release date: | 2024-05-15 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors. Nat.Struct.Mol.Biol., 31, 2024
|
|
8VDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vdw by Molmil](/molmil-images/mine/8vdw) | |
7TD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7td6 by Molmil](/molmil-images/mine/7td6) | aRML prion fibril | Descriptor: | Major prion protein | Authors: | Hoyt, F, Standke, H.G, Artikis, E, Caughey, B, Kraus, A. | Deposit date: | 2021-12-30 | Release date: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of anchorless RML prion reveals variations in shared motifs between distinct strains. Nat Commun, 13, 2022
|
|
8AW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aw2 by Molmil](/molmil-images/mine/8aw2) | Mouse serotonin 5-HT3A receptor in complex with vortioxetine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | Authors: | Lopez-Sanchez, U, Nury, H. | Deposit date: | 2022-08-29 | Release date: | 2024-03-06 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors. Nat.Struct.Mol.Biol., 31, 2024
|
|
8AXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8axd by Molmil](/molmil-images/mine/8axd) | Human serotonin 5-HT3A receptor (apo, resting conformation) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A | Authors: | Lopez-Sanchez, U, Nury, H. | Deposit date: | 2022-08-31 | Release date: | 2024-03-06 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors. Nat.Struct.Mol.Biol., 31, 2024
|
|
5M2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m2v by Molmil](/molmil-images/mine/5m2v) | Structure of GluK1 ligand-binding domain (S1S2) in complex with (2S,4R)-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid at 3.18 A resolution | Descriptor: | (2~{S},4~{R})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | Authors: | Frydenvang, K, Kastrup, J.S, Kristensen, C.M. | Deposit date: | 2016-10-13 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Design and Synthesis of a Series of l-trans-4-Substituted Prolines as Selective Antagonists for the Ionotropic Glutamate Receptors Including Functional and X-ray Crystallographic Studies of New Subtype Selective Kainic Acid Receptor Subtype 1 (GluK1) Antagonist (2S,4R)-4-(2-Carboxyphenoxy)pyrrolidine-2-carboxylic Acid. J. Med. Chem., 60, 2017
|
|