2MWS
 
 | |
1NES
 | | STRUCTURE OF THE PRODUCT COMPLEX OF ACETYL-ALA-PRO-ALA WITH PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION | | Descriptor: | ACETYL-ALA-PRO-ALA, CALCIUM ION, ELASTASE, ... | | Authors: | Meyer Junior, E.F, Radhakrishnan, R, M Cole, G, Presta, L.G. | | Deposit date: | 1995-07-31 | | Release date: | 1996-01-29 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 A resolution.
J.Mol.Biol., 189, 1986
|
|
3DS6
 | | P38 complex with a phthalazine inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | | Authors: | Herberich, B, Syed, R, Li, V, Grosfeld, D. | | Deposit date: | 2008-07-11 | | Release date: | 2008-10-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
|
|
3DT1
 | | P38 Complexed with a quinazoline inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | | Authors: | Herberich, B, Syed, R, Li, V, Tasker, A.S. | | Deposit date: | 2008-07-14 | | Release date: | 2008-10-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
|
|
7N8L
 | |
7N8M
 | |
7N8E
 | |
7NRO
 | | Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium | | Descriptor: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | | Authors: | Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2021-03-04 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
|
|
1ZGK
 | | 1.35 angstrom structure of the Kelch domain of Keap1 | | Descriptor: | Kelch-like ECH-associated protein 1 | | Authors: | Li, X, Bottoms, C.A, Hannink, M, Beamer, L.J. | | Deposit date: | 2005-04-21 | | Release date: | 2005-10-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Conserved solvent and side-chain interactions in the 1.35 Angstrom structure of the Kelch domain of Keap1.
Acta Crystallogr.,Sect.D, 61, 2005
|
|
7VZF
 | | Cryo-EM structure of amyloid fibril formed by full-length human SOD1 | | Descriptor: | Superoxide dismutase [Cu-Zn] | | Authors: | Wang, L.Q, Ma, Y.Y, Yuan, H.Y, Zhao, K, Zhang, M.Y, Wang, Q, Huang, X, Xu, W.C, Chen, J, Li, D, Zhang, D.L, Zou, L.Y, Yin, P, Liu, C, Liang, Y. | | Deposit date: | 2021-11-16 | | Release date: | 2022-06-29 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Cryo-EM structure of an amyloid fibril formed by full-length human SOD1 reveals its conformational conversion.
Nat Commun, 13, 2022
|
|
8D0A
 | | Crystal structure of human USP30 in complex with a covalent inhibitor 829 and a Fab | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, mouse anti-huUSP30 Fab heavy chain, ... | | Authors: | Song, X, Butler, J, Li, C, Zhang, K, Zhang, D, Hao, Y. | | Deposit date: | 2022-05-25 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | TBD
To Be Published
|
|
5GP0
 | | Crystal structure of geraniol-NUDX1 complex | | Descriptor: | GERANYL DIPHOSPHATE, GLYCEROL, Nudix hydrolase 1 | | Authors: | Liu, J, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-07-30 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis.
Mol Plant, 11, 2018
|
|
3EE1
 | |
8ECE
 | | E. coli L-asparaginase II mutant (V27T) in complex with L-Glu | | Descriptor: | 1,2-ETHANEDIOL, GLUTAMIC ACID, L-asparaginase 2 | | Authors: | Strzelczyk, P, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2022-09-01 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The E. coli L-asparaginase V27T mutant: structural and functional characterization and comparison with theoretical predictions.
Febs Lett., 596, 2022
|
|
8ECD
 | | E. coli L-asparaginase II mutant (V27T) in complex with L-Asp | | Descriptor: | 1,2-ETHANEDIOL, ASPARTIC ACID, CITRIC ACID, ... | | Authors: | Strzelczyk, P, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2022-09-01 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The E. coli L-asparaginase V27T mutant: structural and functional characterization and comparison with theoretical predictions.
Febs Lett., 596, 2022
|
|
7KDO
 | | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73 | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2020-10-09 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
|
|
7KDR
 | | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75 | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ... | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2020-10-09 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.488 Å) | | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
|
|
5TX5
 | | Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772 | | Descriptor: | 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Campobasso, N, Ward, P, Thrope, J. | | Deposit date: | 2016-11-15 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
|
|
6L77
 | | Crystal structure of MS5 from Brassica napus | | Descriptor: | MS5a | | Authors: | Wang, X, Guan, Z.Y, Yin, P. | | Deposit date: | 2019-10-31 | | Release date: | 2020-06-03 | | Last modified: | 2020-12-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of the meiosis-related protein MS5 reveals non-canonical papain enhancement by cystatin-like folds.
Febs Lett., 594, 2020
|
|
6J2E
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP1 | | Descriptor: | Beta-2-microglobulin, EBOV-NP1, MHC class I antigen | | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | Deposit date: | 2019-01-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
|
|
6IX4
 | | Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms resolution | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Hu, D, Hu, B.C, Hou, X.D, Wu, L, Rao, Y.J, Wu, M.C. | | Deposit date: | 2018-12-09 | | Release date: | 2019-12-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.511 Å) | | Cite: | Nearly perfect kinetic resolution of racemic o-nitrostyrene oxide by AuEH2, a microsomal epoxide hydrolase from Aspergillus usamii, with high enantio- and regio-selectivity.
Int.J.Biol.Macromol., 169, 2021
|
|
6J2G
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP2 | | Descriptor: | Beta-2-microglobulin, EBOV-NP2, Ptal-N*01:01 | | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | Deposit date: | 2019-01-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
|
|
6J2H
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 mutant (Met52 Asp53 Leu54 deleted) in complex with Hendra virus-derived peptide HeV1 | | Descriptor: | Beta-2-microglobulin, HeV1, Ptal-N*01:01 (Met52 Asp53 Leu54 deleted) | | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | Deposit date: | 2019-01-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
|
|
6J2D
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV1 | | Descriptor: | HeV1, Ptal-N*01:01, beta-2 microglobulin | | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | Deposit date: | 2019-01-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.313 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
|
|
6J2F
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV2 | | Descriptor: | HeV2, Ptal-N*01:01, beta-2 microglobulin | | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | Deposit date: | 2019-01-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
|
|
