5CGC
 
 | | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ... | | Authors: | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | | Deposit date: | 2015-07-09 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
|
|
6FX9
 | |
4JX9
 | | Crystal structure of the complex of peptidyl t-RNA hydrolase from Acinetobacter baumannii with uridine at 1.4A resolution | | Descriptor: | Peptidyl-tRNA hydrolase, URIDINE | | Authors: | Kaushik, S, Singh, N, Yamini, S, Singh, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-03-28 | | Release date: | 2013-06-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
|
|
7F5P
 | | The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form I | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide Asparaginyl Ligases, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hu, S, Sahili, A, Lescar, J. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase.
Plant Cell, 34, 2022
|
|
3RJ9
 | | Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+ | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Morgunova, E, Wuxiuer, Y, Cols, N, Popov, A, Sylte, I, Karshikoff, A, Gonzales-Duarte, R, Ladenstein, R, Winberg, J.O. | | Deposit date: | 2011-04-15 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | An intact eight-membered water chain in drosophilid alcohol dehydrogenases is essential for optimal enzyme activity.
Febs J., 279, 2012
|
|
3RMM
 | | Human Thrombin in complex with MI332 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-04-21 | | Release date: | 2012-04-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
|
|
1C5E
 | | BACTERIOPHAGE LAMBDA HEAD PROTEIN D | | Descriptor: | GLYCEROL, HEAD DECORATION PROTEIN | | Authors: | Yang, F, Forrer, P, Dauter, Z, Pluckthun, A, Wlodawer, A. | | Deposit date: | 1999-11-18 | | Release date: | 2000-03-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Novel fold and capsid-binding properties of the lambda-phage display platform protein gpD.
Nat.Struct.Biol., 7, 2000
|
|
3RM2
 | | Human Thrombin in complex with MI003 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-04-20 | | Release date: | 2012-04-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
|
|
7F5J
 | | The crystal structure of VyPAL2-I244V, a more efficient mutant of VyPAL2 peptide asparaginyl ligase in its active enzyme form | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hu, S, Sahili, A, Lescar, J. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.593 Å) | | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase.
Plant Cell, 34, 2022
|
|
6G5U
 | | Crystal structure of human carbonic anhydrase isozyme XIII with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Carbonic anhydrase 13, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2018-03-30 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
|
|
7F5Q
 | | The crystal structure of VyPAL2 peptide asparaginyl ligase in its active enzyme form | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hu, S, Sahili, A, Lescar, J. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase.
Plant Cell, 34, 2022
|
|
6Q3V
 | |
6PV8
 | | Human alpha3beta4 nicotinic acetylcholine receptor in complex with AT-1001 | | Descriptor: | (3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gharpure, A, Teng, J, Zhuang, Y, Noviello, C.M, Walsh, R.M, Cabuco, R, Howard, R.J, Zaveri, N.T, Lindahl, E, Hibbs, R.E. | | Deposit date: | 2019-07-19 | | Release date: | 2019-09-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Agonist Selectivity and Ion Permeation in the alpha 3 beta 4 Ganglionic Nicotinic Receptor.
Neuron, 104, 2019
|
|
1PKV
 | | The N-terminal domain of riboflavin synthase in complex with riboflavin | | Descriptor: | RIBOFLAVIN, Riboflavin synthase alpha chain | | Authors: | Meining, W, Eberhardt, S, Bacher, A, Ladenstein, R. | | Deposit date: | 2003-06-06 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of the N-terminal domain of riboflavin synthase in complex with riboflavin at 2.6A resolution.
J.Mol.Biol., 331, 2003
|
|
6G6T
 | | Crystal structure of human carbonic anhydrase isozyme II with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide | | Descriptor: | BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2018-04-03 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
|
|
1B31
 | |
6PWW
 | | Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome | | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | | Deposit date: | 2019-07-23 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
|
|
2N8M
 | |
2N6C
 | |
4JE9
 | | Crystal structure of an engineered metal-free RIDC1 construct with four interfacial disulfide bonds | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562 | | Authors: | Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D. | | Deposit date: | 2013-02-26 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
|
|
6PZ1
 | | Crystal Structure of human Indoleamine 2,3-Dioxygenase 1 in complex with PF-06840003 in Active Site and Si site | | Descriptor: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | Deposit date: | 2019-07-31 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
|
|
6FOH
 | |
6Q0G
 | |
2K1B
 | | Solution NMR structure of the chromo domain of the chromobox protein homolog 7 | | Descriptor: | Chromobox protein homolog 7 | | Authors: | Kaustov, L, Lemak, A, Quyang, H, Gutmanas, A, Fares, C, Bountra, C, Weigelt, J, Loppnau, P, Ravichandran, M, Edwards, A.M, Min, J, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-02-25 | | Release date: | 2008-03-11 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the chromobox protein homolog 7.
To be Published
|
|
2NNZ
 | | Solution structure of the hypothetical protein AF2241 from Archaeoglobus fulgidus | | Descriptor: | Hypothetical protein | | Authors: | Ai, X, Semesib, A, Yee, A, Arrowsmith, C.H, Li, S.S.C, Choy, W.Y, Ontario Centre for Structural Proteomics (OCSP) | | Deposit date: | 2006-10-24 | | Release date: | 2007-08-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Hypothetical protein AF2241 from Archaeoglobus fulgidus adopts a cyclophilin-like fold.
J.Biomol.Nmr, 38, 2007
|
|
