3LVB
| Crystal structure of the Ferredoxin:NADP+ reductase from maize root at 1.7 angstroms - Test Set Withheld | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase | Authors: | Faber, H.R, Karplus, P.A, Aliverti, A, Ferioli, C, Spinola, M. | Deposit date: | 2010-02-19 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical and crystallographic characterization of ferredoxin-NADP(+) reductase from nonphotosynthetic tissues Biochemistry, 40, 2001
|
|
5K1V
| Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ... | Authors: | Saridakis, E, Papakyriakou, A, Giastas, P, Mpakali, A, Mavridis, I.M, Stratikos, E. | Deposit date: | 2016-05-18 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.897 Å) | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Med Chem Lett, 8, 2017
|
|
5J6S
| Crystal structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in complex with a hydroxamic derivative ligand | Descriptor: | (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Saridakis, E, Giastas, P, Mpakali, A, Deprez-Poulain, R, Stratikos, E. | Deposit date: | 2016-04-05 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Med Chem Lett, 8, 2017
|
|
7PFS
| Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide ((1R)-1-Amino-3-phenylpropyl){2-([1,1:3,1-terphenyl]-5-ylmethyl)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)-amino]-3-oxopropyl}phosphinic acid | 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: | Giastas, P, Stratikos, E, Mpakali, A. | Deposit date: | 2021-08-12 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitor-Dependent Usage of the S1' Specificity Pocket of ER Aminopeptidase 2. Acs Med.Chem.Lett., 13, 2022
|
|
7P7P
| Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide((1R)-1-Amino-3-phenylpropyl){(2S)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-{[3-(2-hydroxyphenyl)-isoxazol-5-yl]methyl}-3-oxopropyl}phosphinic acid | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Giastas, P, Stratikos, E, Mpakali, A. | Deposit date: | 2021-07-20 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Inhibitor-Dependent Usage of the S1' Specificity Pocket of ER Aminopeptidase 2. Acs Med.Chem.Lett., 13, 2022
|
|
5LMK
| Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor | Descriptor: | 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A. | Deposit date: | 2016-08-01 | Release date: | 2017-01-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines. Eur J Med Chem, 126, 2016
|
|
2G9X
| |
7ZYF
| Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mpakali, A, Stratikos, E, Giastas, P, Papakyriakou, A. | Deposit date: | 2022-05-24 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin. J.Med.Chem., 65, 2022
|
|
3BHT
| Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3 | Descriptor: | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | Deposit date: | 2007-11-29 | Release date: | 2008-02-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases Cancer Res., 67, 2007
|
|
3BHV
| Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B | Descriptor: | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | Deposit date: | 2007-11-29 | Release date: | 2008-02-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases Cancer Res., 67, 2007
|
|
3BHU
| Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5 | Descriptor: | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | Deposit date: | 2007-11-29 | Release date: | 2008-02-12 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases Cancer Res., 67, 2007
|
|
6N05
| Structure of anti-crispr protein, AcrIIC2 | Descriptor: | AcrIIC2 | Authors: | Shah, M, Thavalingham, A, Maxwell, K.L, Moraes, T.F. | Deposit date: | 2018-11-06 | Release date: | 2019-06-05 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2. Nat Commun, 10, 2019
|
|
1JB9
| Crystal Structure of The Ferredoxin:NADP+ Reductase From Maize Root AT 1.7 Angstroms | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, ferredoxin-NADP reductase | Authors: | Faber, H.R, Karplus, P.A, Aliverti, A, Ferioli, C, Spinola, M. | Deposit date: | 2001-06-03 | Release date: | 2001-07-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical and crystallographic characterization of ferredoxin-NADP(+) reductase from nonphotosynthetic tissues. Biochemistry, 40, 2001
|
|
3DDQ
| Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine | Descriptor: | Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ... | Authors: | Echalier, A, Endicott, J.A. | Deposit date: | 2008-06-06 | Release date: | 2008-07-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases. Oncogene, 27, 2008
|
|
3DDP
| |
3DOG
| Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1 | Descriptor: | (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Echalier, A, Endicott, J. | Deposit date: | 2008-07-04 | Release date: | 2008-09-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | N-&-N, a new class of cell death-inducing kinase inhibitors derived from the purine roscovitine. Mol.Cancer Ther., 7, 2008
|
|
7ZVM
| |
7ZVY
| Thermococcus kadokarensis phosphomannose isomerase | Descriptor: | Cupin_2 domain-containing protein, ZINC ION | Authors: | Hoh, f, Calio, A. | Deposit date: | 2022-05-17 | Release date: | 2022-08-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Unravelling the Adaptation Mechanisms to High Pressure in Proteins. Int J Mol Sci, 23, 2022
|
|
7LP2
| Structure of Nedd4L WW3 domain | Descriptor: | Angiomotin, E3 ubiquitin-protein ligase, GLYCEROL, ... | Authors: | Alian, A, Alam, S.L, Thompson, T, Rheinemann, L, Sundquist, W.I. | Deposit date: | 2021-02-11 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release. J.Biol.Chem., 297, 2021
|
|
7LP1
| Structure of Nedd4L WW3 domain | Descriptor: | E3 ubiquitin-protein ligase NEDD4-like, GLYCEROL, NITRATE ION | Authors: | Alian, A, Alam, S.L, Thompson, T, Rheinemann, L, Sundquist, W.I. | Deposit date: | 2021-02-11 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release. J.Biol.Chem., 297, 2021
|
|
7LP3
| Structure of Nedd4L WW3 domain | Descriptor: | Angiomotin, E3 ubiquitin-protein ligase NEDD4-like, SULFATE ION | Authors: | Alian, A, Alam, S.L, Thompson, T, Rheinemann, L, Sundquist, W.I. | Deposit date: | 2021-02-11 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release. J.Biol.Chem., 297, 2021
|
|
6W6Q
| WT HTLV-1 Protease in Complex with Darunavir (DRV) | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HTLV-1 Protease | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2020-03-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | To Be Determined To Be Published
|
|
6W6T
| WT HIV-1 Protease in Complex with Phosphonated UMass6 (PU6) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2020-03-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | To Be Determined To Be Published
|
|
6W6R
| WT HTLV-1 Protease in Complex with UMass6 (UM6) | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, HTLV-1 Protease | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2020-03-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | To Be Determined To Be Published
|
|
6W6S
| WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6) | Descriptor: | HTLV-1 Protease, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2020-03-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | To Be Determined To Be Published
|
|