7U7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u7m by Molmil](/molmil-images/mine/7u7m) | |
7U2X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u2x by Molmil](/molmil-images/mine/7u2x) | Cryo-EM structure of the pancreatic ATP-sensitive potassium channel in the presence of carbamazepine and ATP with Kir6.2-CTD in the down conformation | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Shyng, S.L, Sung, M.W, Driggers, C.M. | Deposit date: | 2022-02-25 | Release date: | 2022-08-31 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel. J.Mol.Biol., 434, 2022
|
|
6OID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oid by Molmil](/molmil-images/mine/6oid) | Redox Regulation of FN3K from Arabidopsis thaliana | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Wood, Z.A, Kadirvelraj, R, Shrestha, S. | Deposit date: | 2019-04-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.365 Å) | Cite: | A redox-active switch in fructosamine-3-kinases expands the regulatory repertoire of the protein kinase superfamily. Sci.Signal., 13, 2020
|
|
3N4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n4a by Molmil](/molmil-images/mine/3n4a) | Crystal structure of D-Xylose Isomerase in complex with S-1,2-Propandiol | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, S-1,2-PROPANEDIOL, ... | Authors: | Behnen, J, Heine, A, Klebe, G. | Deposit date: | 2010-05-21 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
|
|
3N21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n21 by Molmil](/molmil-images/mine/3n21) | Crystal structure of Thermolysin in complex with S-1,2-Propandiol | Descriptor: | CALCIUM ION, S-1,2-PROPANEDIOL, Thermolysin, ... | Authors: | Behnen, J, Heine, A, Klebe, G. | Deposit date: | 2010-05-17 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
|
|
6OL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ol7 by Molmil](/molmil-images/mine/6ol7) | |
3NV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nv7 by Molmil](/molmil-images/mine/3nv7) | |
7NR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nr4 by Molmil](/molmil-images/mine/7nr4) | X-RAY STRUCTURE OF PRMT6 IN COMPLEX WITH indazole type inhibitor | Descriptor: | (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Steuber, H. | Deposit date: | 2021-03-02 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Rational Design and Synthesis of Selective PRMT4 Inhibitors: A New Chemotype for Development of Cancer Therapeutics*. Chemmedchem, 16, 2021
|
|
6SP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sp2 by Molmil](/molmil-images/mine/6sp2) | CryoEM structure of SERINC from Drosophila melanogaster | Descriptor: | CARDIOLIPIN, Lauryl Maltose Neopentyl Glycol, Membrane protein TMS1d, ... | Authors: | Pye, V.E, Nans, A, Cherepanov, P. | Deposit date: | 2019-08-30 | Release date: | 2020-01-01 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | A bipartite structural organization defines the SERINC family of HIV-1 restriction factors. Nat.Struct.Mol.Biol., 27, 2020
|
|
7PZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pzw by Molmil](/molmil-images/mine/7pzw) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((5-(phenylethynyl)thiophene-2-carboxamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
|
|
7PZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pzs by Molmil](/molmil-images/mine/7pzs) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-((3R,5R)-5-((2-chloro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
|
|
5J6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j6f by Molmil](/molmil-images/mine/5j6f) | Crystal structure of DAH7PS-CM complex from Geobacillus sp. with prephenate | Descriptor: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, chorismate mutase-isozyme 3, MANGANESE (II) ION, ... | Authors: | Nazmi, A.R, Othman, M, Lang, E.J.M, Bai, Y, Allison, T.M, Panjkar, S, Arcus, V.L, Parker, E.J. | Deposit date: | 2016-04-04 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Interdomain Conformational Changes Provide Allosteric Regulation en Route to Chorismate. J. Biol. Chem., 291, 2016
|
|
7PZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pzu by Molmil](/molmil-images/mine/7pzu) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
|
|
7Q01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q01 by Molmil](/molmil-images/mine/7q01) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
|
|
7PZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pzx by Molmil](/molmil-images/mine/7pzx) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
|
|
6Z8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z8x by Molmil](/molmil-images/mine/6z8x) | X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3Leu), which contains leucyl amide in the side chain of Thy3 at N3. | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ... | Authors: | Troisi, R, Timofeev, E.N, Sica, F. | Deposit date: | 2020-06-02 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12. Mol Ther Nucleic Acids, 23, 2021
|
|
8B8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b8x by Molmil](/molmil-images/mine/8b8x) | Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist | Descriptor: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
|
|
5D5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d5a by Molmil](/molmil-images/mine/5d5a) | In meso in situ serial X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ... | Authors: | Huang, C.-Y, Olieric, V, Warshamanage, R, Liu, X, Kobilka, B, Kay Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4826 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
|
|
5D5B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d5b by Molmil](/molmil-images/mine/5d5b) | In meso X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ... | Authors: | Huang, C.-Y, Olieric, V, Liu, X, Kobilka, B, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
|
|
6OJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oj3 by Molmil](/molmil-images/mine/6oj3) | In situ structure of rotavirus VP1 RNA-dependent RNA polymerase (TLP) | Descriptor: | Inner capsid protein VP2, RNA-directed RNA polymerase | Authors: | Jenni, S, Salgado, E.N, Herrmann, T, Li, Z, Grant, T, Grigorieff, N, Trapani, S, Estrozi, L.F, Harrison, S.C. | Deposit date: | 2019-04-10 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | In situ Structure of Rotavirus VP1 RNA-Dependent RNA Polymerase. J.Mol.Biol., 431, 2019
|
|
3OTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3otw by Molmil](/molmil-images/mine/3otw) | Structural and Functional Studies of Helicobacter pylori Wild-Type and Mutated Proteins Phosphopantetheine adenylyltransferase | Descriptor: | COENZYME A, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Yin, H.S, Cheng, C.S, Chen, C.G, Luo, Y.C, Chen, W.T, Cheng, S.Y. | Deposit date: | 2010-09-14 | Release date: | 2011-09-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Studies of Helicobacter pylori Wild-Type and Mutated Proteins Phosphopantetheine adenylyltransferase To be Published
|
|
6OJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oj5 by Molmil](/molmil-images/mine/6oj5) | In situ structure of rotavirus VP1 RNA-dependent RNA polymerase (TLP_RNA) | Descriptor: | Inner capsid protein VP2, RNA-directed RNA polymerase | Authors: | Jenni, S, Salgado, E.N, Herrmann, T, Li, Z, Grant, T, Grigorieff, N, Trapani, S, Estrozi, L.F, Harrison, S.C. | Deposit date: | 2019-04-10 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | In situ Structure of Rotavirus VP1 RNA-Dependent RNA Polymerase. J.Mol.Biol., 431, 2019
|
|
3U8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u8k by Molmil](/molmil-images/mine/3u8k) | Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) | Descriptor: | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | Authors: | Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T. | Deposit date: | 2011-10-17 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed. J.Biol.Chem., 287, 2012
|
|
6OJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oj4 by Molmil](/molmil-images/mine/6oj4) | In situ structure of rotavirus VP1 RNA-dependent RNA polymerase (DLP) | Descriptor: | Inner capsid protein VP2, RNA-directed RNA polymerase | Authors: | Jenni, S, Salgado, E.N, Herrmann, T, Li, Z, Grant, T, Grigorieff, N, Trapani, S, Estrozi, L.F, Harrison, S.C. | Deposit date: | 2019-04-10 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | In situ Structure of Rotavirus VP1 RNA-Dependent RNA Polymerase. J.Mol.Biol., 431, 2019
|
|
6XE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xe1 by Molmil](/molmil-images/mine/6xe1) | |