4IE2
 
 | | Crystal structure of human Arginase-2 complexed with inhibitor 1h | | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A. | | Deposit date: | 2012-12-13 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2082 Å) | | Cite: | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
4IXV
 | | Crystal structure of human Arginase-2 complexed with inhibitor 2d: {(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-) | | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
4HXQ
 | | Crystal structure of human Arginase-1 complexed with inhibitor 14 | | Descriptor: | Arginase-1, MANGANESE (II) ION, [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | | Deposit date: | 2012-11-12 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
|
|
4HZE
 | | Crystal structure of human Arginase-2 complexed with inhibitor 9 | | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | | Deposit date: | 2012-11-15 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
|
|
4IE3
 | | Crystal structure of human Arginase-2 complexed with inhbitor 1o | | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A. | | Deposit date: | 2012-12-13 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3522 Å) | | Cite: | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
4IXU
 | | Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-) | | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
4C3J
 | | Structure of 14-subunit RNA polymerase I at 3.35 A resolution, crystal form C2-90 | | Descriptor: | DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA12, DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA135, DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA14, ... | | Authors: | Fernandez-Tornero, C, Moreno-Morcillo, M, Rashid, U.J, Taylor, N.M.I, Ruiz, F.M, Gruene, T, Legrand, P, Steuerwald, U, Muller, C.W. | | Deposit date: | 2013-08-24 | | Release date: | 2013-10-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Crystal Structure of the 14-Subunit RNA Polymerase I
Nature, 502, 2013
|
|
4C3H
 | | Structure of 14-subunit RNA polymerase I at 3.27 A resolution, crystal form C2-93 | | Descriptor: | DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA12, DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA135, DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA14, ... | | Authors: | Fernandez-Tornero, C, Moreno-Morcillo, M, Rashid, U.J, Taylor, N.M.I, Ruiz, F.M, Gruene, T, Legrand, P, Steuerwald, U, Muller, C.W. | | Deposit date: | 2013-08-24 | | Release date: | 2013-10-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.27 Å) | | Cite: | Crystal Structure of the 14-Subunit RNA Polymerase I
Nature, 502, 2013
|
|
4LB3
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | Deposit date: | 2013-06-20 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
|
|
8DXG
 | | HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-(trifluoromethyl)pyridin-2-ol at W24 site | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 5-(trifluoromethyl)pyridin-2-one, ... | | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
|
|
4BME
 | | Crystal structure of the N terminal domain of human Galectin 8, F19Y mutant | | Descriptor: | GALECTIN-8, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Buzamet, E, Ruiz, F.M, Menendez, M, Romero, A, Gabius, H.J, Solis, D. | | Deposit date: | 2013-05-07 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Natural Single Amino Acid Polymorphism (F19Y) in Human Galectin-8: Detection of Structural Alterations and Increased Growth-Regulatory Activity on Tumor Cells.
FEBS J., 281, 2014
|
|
4C3I
 | | Structure of 14-subunit RNA polymerase I at 3.0 A resolution, crystal form C2-100 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA12, DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA135, ... | | Authors: | Fernandez-Tornero, C, Moreno-Morcillo, M, Rashid, U.J, Taylor, N.M.I, Ruiz, F.M, Gruene, T, Legrand, P, Steuerwald, U, Muller, C.W. | | Deposit date: | 2013-08-24 | | Release date: | 2013-10-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of the 14-Subunit RNA Polymerase I
Nature, 502, 2013
|
|
