6QAM
| |
7SZC
| |
7SZD
| |
7SZB
| |
7SZA
| |
8QLR
| Human MST3 (STK24) kinase in complex with inhibitor MR24 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-20 | Release date: | 2023-11-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
|
|
8QLT
| Human MST3 (STK24) kinase in complex with inhibitor MR30 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-20 | Release date: | 2023-11-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
|
|
8QLS
| Human MST3 (STK24) kinase in complex with inhibitor MR26 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-20 | Release date: | 2023-11-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
|
|
7WXI
| GPR domain of Drosophila P5CS filament with glutamate and ATPgammaS | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase, GAMMA-GLUTAMYL PHOSPHATE | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | Deposit date: | 2022-02-14 | Release date: | 2022-03-30 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural basis of dynamic P5CS filaments. Elife, 11, 2022
|
|
7WXH
| GPR domain open form of Drosophila P5CS filament with glutamate, ATP, and NADPH | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | Deposit date: | 2022-02-14 | Release date: | 2022-03-30 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural basis of dynamic P5CS filaments. Elife, 11, 2022
|
|
7WXG
| GPR domain closed form of Drosophila P5CS filament with glutamate, ATP, and NADPH | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | Deposit date: | 2022-02-14 | Release date: | 2022-03-30 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural basis of dynamic P5CS filaments. Elife, 11, 2022
|
|
7WX4
| |
7WXF
| |
7WX3
| GK domain of Drosophila P5CS filament with glutamate, ATP, and NADPH | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Delta-1-pyrroline-5-carboxylate synthase, GAMMA-GLUTAMYL PHOSPHATE, ... | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | Deposit date: | 2022-02-14 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of dynamic P5CS filaments. Elife, 11, 2022
|
|
7XMV
| E.coli phosphoribosylpyrophosphate (PRPP) synthetase type A(AMP/ADP) filament bound with ADP, AMP and R5P | Descriptor: | 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Hu, H.H, Lu, G.M, Chang, C.C, Liu, J.L. | Deposit date: | 2022-04-27 | Release date: | 2022-06-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Filamentation modulates allosteric regulation of PRPS. Elife, 11, 2022
|
|
7XN3
| E.coli phosphoribosylpyrophosphate (PRPP) synthetase type B filament bound with Pi | Descriptor: | PHOSPHATE ION, Ribose-phosphate pyrophosphokinase | Authors: | Hu, H.H, Lu, G.M, Chang, C.C, Liu, J.L. | Deposit date: | 2022-04-27 | Release date: | 2022-06-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Filamentation modulates allosteric regulation of PRPS. Elife, 11, 2022
|
|
7XMU
| E.coli phosphoribosylpyrophosphate (PRPP) synthetase type A filament bound with ADP, Pi and R5P | Descriptor: | 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Hu, H.H, Lu, G.M, Chang, C.C, Liu, J.L. | Deposit date: | 2022-04-26 | Release date: | 2022-06-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Filamentation modulates allosteric regulation of PRPS. Elife, 11, 2022
|
|
2W3K
| Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 1 | Descriptor: | (2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide, CALCIUM ION, COAGULATION FACTOR X, ... | Authors: | Zhang, E, Mochalkin, I, Casimiro-Garcia, A, Van Huis, C.A. | Deposit date: | 2008-11-12 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Exploration of 4,4-Disubstituted Pyrrolidine-1,2-Dicarboxamides as Potent, Orally Active Factor Xa Inhibitors with Extended Duration of Action. Bioorg.Med.Chem., 17, 2009
|
|
7X9X
| Thermotoga Maritima ferritin variant-Tm-E(G40E) with Zn | Descriptor: | FE (III) ION, Ferritin, ZINC ION | Authors: | Liu, Y, Zhao, G. | Deposit date: | 2022-03-16 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Directed Self-Assembly of Dimeric Building Blocks into Networklike Protein Origami to Construct Hydrogels. Acs Nano, 16, 2022
|
|
7XA4
| |
7XA2
| Thermotoga maritima ferritin variant-Tm-E(S111H) | Descriptor: | FE (III) ION, Ferritin | Authors: | Liu, Y, Zhao, G. | Deposit date: | 2022-03-16 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Directed Self-Assembly of Dimeric Building Blocks into Networklike Protein Origami to Construct Hydrogels. Acs Nano, 16, 2022
|
|
8E5J
| The crystal structure of 4-n-butylbenzoic acid bound CYP199A4 | Descriptor: | 4-butylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Doherty, D.Z, Bell, S.G, Bruning, J.B. | Deposit date: | 2022-08-22 | Release date: | 2023-08-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation. Chem Asian J, 17, 2022
|
|
8BIN
| Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2 | Authors: | Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-02 | Release date: | 2022-11-23 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Back-Pocket Optimization of 2-Aminopyrimidine-Based Macrocycles Leads to Potent EPHA2/GAK Kinase Inhibitors. J.Med.Chem., 67, 2024
|
|
8ELC
| Human JNK2 bound to covalent inhibitor YL2056 | Descriptor: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | Authors: | Li, L, Gurbani, D, Westover, K.D. | Deposit date: | 2022-09-23 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.072 Å) | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J.Med.Chem., 66, 2023
|
|
7X7S
| Solution structure of human adenylate kinase 1 (hAK1) | Descriptor: | Adenylate kinase isoenzyme 1 | Authors: | Zhang, H. | Deposit date: | 2022-03-10 | Release date: | 2022-05-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | ADP-Induced Conformational Transition of Human Adenylate Kinase 1 Is Triggered by Suppressing Internal Motion of alpha 3 alpha 4 and alpha 7 alpha 8 Fragments on the ps-ns Timescale. Biomolecules, 12, 2022
|
|