7VYP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vyp by Molmil](/molmil-images/mine/7vyp) | The structure of GdmN complex with the natural tetrahedral intermediate, carbamoylated derivative, and AMP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, FE (III) ION, ... | Authors: | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | Deposit date: | 2021-11-15 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022
|
|
7VYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vyj by Molmil](/molmil-images/mine/7vyj) | The structure of GdmN in complex with carbamoyl adenylate intermediate | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | Deposit date: | 2021-11-14 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022
|
|
7VYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vyo by Molmil](/molmil-images/mine/7vyo) | The structure of GdmN | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | Deposit date: | 2021-11-14 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022
|
|
4IUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iug by Molmil](/molmil-images/mine/4iug) | Crystal structure of beta-galactosidase from Aspergillus oryzae in complex with galactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-6-O-phosphono-beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, ... | Authors: | Maksimainen, M, Rouvinen, J. | Deposit date: | 2013-01-21 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of acidic beta-galactosidase from Aspergillus oryzae. Int.J.Biol.Macromol., 60C, 2013
|
|
4BF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bf6 by Molmil](/molmil-images/mine/4bf6) | Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide | Descriptor: | 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Tars, K, Leitans, J, Zalubovskis, R. | Deposit date: | 2013-03-15 | Release date: | 2014-01-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies. Bioorg.Med.Chem., 21, 2013
|
|
2E9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e9l by Molmil](/molmil-images/mine/2e9l) | Crystal Structure of human Cytosolic Neutral beta-Glycosylceramidase (Klotho-related Prote:KLrP) complex with Glucose and fatty acids | Descriptor: | Cytosolic beta-glucosidase, GLYCEROL, OLEIC ACID, ... | Authors: | Kakuta, Y, Hayashi, Y, Okino, N, Ito, M. | Deposit date: | 2007-01-25 | Release date: | 2007-09-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Klotho-related protein is a novel cytosolic neutral beta-glycosylceramidase. J.Biol.Chem., 282, 2007
|
|
7DRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dru by Molmil](/molmil-images/mine/7dru) | |
5TZN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tzn by Molmil](/molmil-images/mine/5tzn) | Structure of the viral immunoevasin m12 (Smith) bound to the natural killer cell receptor NKR-P1B (B6) | Descriptor: | 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, Glycoprotein family protein m12, ... | Authors: | Berry, R, Rossjohn, J. | Deposit date: | 2016-11-22 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Viral Immunoevasin Controls Innate Immunity by Targeting the Prototypical Natural Killer Cell Receptor Family. Cell, 169, 2017
|
|
5U8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u8e by Molmil](/molmil-images/mine/5u8e) | Crystal Structure of substrate-free arginine kinase from spider Polybetes pythagoricus | Descriptor: | SODIUM ION, arginine kinase | Authors: | Lopez-Zavala, A.A, Garcia, C.F, Hernadez-Paredes, J, Sotelo-Mundo, R.R. | Deposit date: | 2016-12-14 | Release date: | 2017-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Biochemical and structural characterization of a novel arginine kinase from the spider Polybetes pythagoricus. PeerJ, 5, 2017
|
|
5UGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ugm by Molmil](/molmil-images/mine/5ugm) | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Edaglitazone | Descriptor: | (5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma, nonanoic acid | Authors: | Shang, J, Kojetin, D.J. | Deposit date: | 2017-01-09 | Release date: | 2018-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma. Elife, 7, 2018
|
|
2ZHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zho by Molmil](/molmil-images/mine/2zho) | |
5UR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ur5 by Molmil](/molmil-images/mine/5ur5) | PYR1 bound to the rationally designed agonist 4m | Descriptor: | Abscisic acid receptor PYR1, GLYCEROL, N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide, ... | Authors: | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | Deposit date: | 2017-02-09 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration. ACS Chem. Biol., 12, 2017
|
|
5U92
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u92 by Molmil](/molmil-images/mine/5u92) | Crystal Structure of arginine kinase from the spider Polybetes pythagoricus in complex with arginine | Descriptor: | ARGININE, SODIUM ION, arginine kinase | Authors: | Lopez-zavala, A.A, Garcia, C.F, Paredes-Hernandez, J, Stojanoff, V, Sotelo-Mundo, R.R. | Deposit date: | 2016-12-15 | Release date: | 2017-09-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical and structural characterization of a novel arginine kinase from the spider Polybetes pythagoricus. PeerJ, 5, 2017
|
|
1FH3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fh3 by Molmil](/molmil-images/mine/1fh3) | |
7WJT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wjt by Molmil](/molmil-images/mine/7wjt) | |
5UR6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ur6 by Molmil](/molmil-images/mine/5ur6) | PYR1 bound to the rationally designed agonist cyanabactin | Descriptor: | Abscisic acid receptor PYR1, N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide, SULFATE ION | Authors: | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | Deposit date: | 2017-02-09 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration. ACS Chem. Biol., 12, 2017
|
|
7Y44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y44 by Molmil](/molmil-images/mine/7y44) | Re-refinement of damage free X-ray structure of bovine cytochrome c oxidase at 1.9 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Tsukihara, T, Hirata, K, Ago, H. | Deposit date: | 2022-06-14 | Release date: | 2022-07-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL. Nat.Methods, 11, 2014
|
|
7XW8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xw8 by Molmil](/molmil-images/mine/7xw8) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct | Descriptor: | GLYCEROL, Lysine-specific histone demethylase 1A, MAGNESIUM ION, ... | Authors: | Oki, H. | Deposit date: | 2022-05-26 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects. Eur.J.Med.Chem., 239, 2022
|
|
2ZIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zis by Molmil](/molmil-images/mine/2zis) | Crystal Structure of rat protein farnesyltransferase complexed with a bezoruran inhibitor and FPP | Descriptor: | 3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile, ACETIC ACID, FARNESYL DIPHOSPHATE, ... | Authors: | Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N. | Deposit date: | 2008-02-22 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors Bioorg.Med.Chem.Lett., 19, 2009
|
|
5CVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cvs by Molmil](/molmil-images/mine/5cvs) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S. | Deposit date: | 2015-07-27 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
|
|
2FET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fet by Molmil](/molmil-images/mine/2fet) | Synthesis of C-D-Glycopyranosyl-Hydroquinones and-Benzoquinones. Inhibition of PTP1B. Inhibition of and binding to glycogen phosphorylase in the crystal | Descriptor: | (1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol, Glycogen phosphorylase, muscle form, ... | Authors: | Chrysina, E.D, Kosmopoulou, M.N, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2005-12-16 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | In the Search of Glycogen Phosphorylase Inhibitors: Synthesis of C-D-Glycopyranosylbenzo(hydro)quinones Inhibition of and Binding to Glycogen Phosphorylase in the Crystal Eur.J.Org.Chem., 4, 2007
|
|
2ZIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zir by Molmil](/molmil-images/mine/2zir) | Crystal Structure of rat protein farnesyltransferase complexed with a benzofuran inhibitor and FPP | Descriptor: | 2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide, FARNESYL DIPHOSPHATE, GLYCEROL, ... | Authors: | Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N. | Deposit date: | 2008-02-22 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors Bioorg.Med.Chem.Lett., 19, 2009
|
|
2FF5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ff5 by Molmil](/molmil-images/mine/2ff5) | Synthesis of C-D-Glycopyranosyl-Hydroquinones and-Benzoquinones. Inhibition of PTP1B. Inhibition of and binding to glycogen phosphorylase in the crystal | Descriptor: | (1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol, Glycogen phosphorylase, muscle form, ... | Authors: | Chrysina, E.D, Kosmopoulou, M.N, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2005-12-19 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | In the Search of Glycogen Phosphorylase Inhibitors: Synthesis of C-D-Glycopyranosylbenzo(hydro)quinones Inhibition of and Binding to Glycogen Phosphorylase in the Crystal Eur.J.Org.Chem., 4, 2007
|
|
6INH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6inh by Molmil](/molmil-images/mine/6inh) | A glycosyltransferase with UDP and the substrate | Descriptor: | 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ... | Authors: | Zhu, X. | Deposit date: | 2018-10-25 | Release date: | 2019-07-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations. Nat Commun, 10, 2019
|
|
3QH9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qh9 by Molmil](/molmil-images/mine/3qh9) | Human Liprin-beta2 Coiled-Coil | Descriptor: | AMMONIUM ION, GLYCEROL, IODIDE ION, ... | Authors: | Stafford, R.L, Tang, M, Phillips, M.L, Bowie, J.U. | Deposit date: | 2011-01-25 | Release date: | 2011-10-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of the central coiled-coil domain from human liprin-beta2 Biochemistry, 50, 2011
|
|