8XR4
| Crystal structure of AKRtyl-NADP(H) complex | Descriptor: | Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D Nat Commun, 15, 2024
|
|
8XR2
| Crystal structure of AKRtyl-apo1 | Descriptor: | Aldo/keto reductase | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D Nat Commun, 15, 2024
|
|
7MBO
| FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.924 Å) | Cite: | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J.Med.Chem., 65, 2022
|
|
8T2I
| Negative stain EM assembly of MYC, JAZ, and NINJA complex | Descriptor: | AFP homolog 2, Maltose/maltodextrin-binding periplasmic protein, Protein TIFY 10A, ... | Authors: | Zhou, X.E, Zhang, Y, Zhou, Y, He, Q, Cao, X, Kariapper, L, Suino-Powell, K, Zhu, Y, Zhang, F, Karsten, M. | Deposit date: | 2023-06-06 | Release date: | 2023-06-28 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (10.4 Å) | Cite: | Assembly of JAZ-JAZ and JAZ-NINJA complexes in jasmonate signaling. Plant Commun., 4, 2023
|
|
4R2Y
| Crystal structure of APC11 RING domain | Descriptor: | Anaphase-promoting complex subunit 11, ZINC ION | Authors: | Brown, N.G, Watson, E.R, Weissmann, F, Jarvis, M.A, Vanderlinden, R, Grace, C.R.R, Frye, J.J, Dube, P, Qiao, R, Petzold, G, Cho, S.E, Alsharif, O, Bao, J, Zheng, J, Nourse, A, Kurinov, I, Peters, J.M, Stark, H, Schulman, B.A. | Deposit date: | 2014-08-13 | Release date: | 2014-10-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Mechanism of Polyubiquitination by Human Anaphase-Promoting Complex: RING Repurposing for Ubiquitin Chain Assembly. Mol.Cell, 56, 2014
|
|
1J3H
| Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit | Authors: | Akamine, P, Madhusudan, Wu, J, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S. | Deposit date: | 2003-01-31 | Release date: | 2003-03-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure J.Mol.Biol., 327, 2003
|
|
1JBP
| Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Substrate Peptide, ADP and Detergent | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN FORM, ... | Authors: | Madhusudan, Trafny, E.A, Xuong, N.H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M. | Deposit date: | 2001-06-06 | Release date: | 2001-06-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer. Protein Sci., 3, 1994
|
|
1JLU
| Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Phosphorylated Substrate Peptide and Detergent | Descriptor: | AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ... | Authors: | Madhusudan, Trafny, E.A, Xuong, N.-H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M. | Deposit date: | 2001-07-16 | Release date: | 2001-08-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer. Protein Sci., 3, 1994
|
|
6ONJ
| |
6ONI
| |
6PDZ
| |
1CKB
| |
1CKA
| |
1BKX
| A BINARY COMPLEX OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND ADENOSINE FURTHER DEFINES CONFORMATIONAL FLEXIBILITY | Descriptor: | ADENOSINE-5'-MONOPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE | Authors: | Narayana, N, Cox, S, Xuong, N, Ten Eyck, L.F, Taylor, S.S. | Deposit date: | 1997-07-01 | Release date: | 1998-03-18 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A binary complex of the catalytic subunit of cAMP-dependent protein kinase and adenosine further defines conformational flexibility. Structure, 5, 1997
|
|
1FMO
| CRYSTAL STRUCTURE OF A POLYHISTIDINE-TAGGED RECOMBINANT CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH THE PEPTIDE INHIBITOR PKI(5-24) AND ADENOSINE | Descriptor: | ADENOSINE, CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN | Authors: | Narayana, N, Cox, S, Shaltiel, S, Taylor, S.S, Xuong, N.-H. | Deposit date: | 1997-07-08 | Release date: | 1998-01-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of cAMP-dependent protein kinase complexed with the peptide inhibitor PKI(5-24) and adenosine. Biochemistry, 36, 1997
|
|
5WB6
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2017-06-28 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Macrocyclic factor XIa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
|
|
2JTK
| |
6V2F
| Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | Descriptor: | HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | Authors: | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | Deposit date: | 2019-11-22 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Clinical targeting of HIV capsid protein with a long-acting small molecule. Nature, 584, 2020
|
|
6X2J
| Structure of human TRPA1 in complex with agonist GNE551 | Descriptor: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L, Chen, H. | Deposit date: | 2020-05-20 | Release date: | 2020-11-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel. Neuron, 109, 2021
|
|
6DHA
| |
6WML
| Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod) | Descriptor: | (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L. | Deposit date: | 2020-04-21 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B. J.Med.Chem., 63, 2020
|
|
1L3R
| Crystal Structure of a Transition State Mimic of the Catalytic Subunit of cAMP-dependent Protein Kinase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ... | Authors: | Madhusudan, Akamine, P, Xuong, N.-H, Taylor, S.S. | Deposit date: | 2002-02-28 | Release date: | 2002-03-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a transition state mimic of the catalytic subunit of cAMP-dependent protein kinase. Nat.Struct.Biol., 9, 2002
|
|
8T8E
| cryoEM structure of Smc5/6 5mer | Descriptor: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 6 | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-06-22 | Release date: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8T8F
| Smc5/6 8mer | Descriptor: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 4, Non-structural maintenance of chromosome element 5, ... | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-06-22 | Release date: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
1EFN
| |