5QTV
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-11-13 | Release date: | 2020-01-29 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
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5QTX
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-11-13 | Release date: | 2020-01-29 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
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5QTY
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-11-13 | Release date: | 2020-01-29 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
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7YOX
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1CDK
| CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ... | Authors: | Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R. | Deposit date: | 1994-07-04 | Release date: | 1995-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24). EMBO J., 12, 1993
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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
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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
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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
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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
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6C0S
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2JTK
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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
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6PDZ
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6ONI
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6ONJ
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6LR1
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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
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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
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6JXR
| Structure of human T cell receptor-CD3 complex | Descriptor: | T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, T-cell surface glycoprotein CD3 delta chain, ... | Authors: | Dong, D, Zheng, L, Lin, J, Zhu, Y, Li, N, Zhang, B, Xie, S, Zheng, J, Wang, Y, Gao, N, Huang, Z. | Deposit date: | 2019-04-24 | Release date: | 2019-09-11 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of assembly of the human T cell receptor-CD3 complex. Nature, 573, 2019
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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
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7KM5
| Crystal structure of SARS-CoV-2 RBD complexed with Nanosota-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Spike protein S1, ... | Authors: | Ye, G, Shi, K, Aihara, H, Li, F. | Deposit date: | 2020-11-02 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | The development of Nanosota - 1 as anti-SARS-CoV-2 nanobody drug candidates. Elife, 10, 2021
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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
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7ST4
| Calcium-saturated jGCaMP8.410.80 | Descriptor: | CALCIUM ION, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Zhang, Y, Looger, L.L. | Deposit date: | 2021-11-11 | Release date: | 2022-11-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fast and sensitive GCaMP calcium indicators for imaging neural populations Nature, 615, 2023
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7SQA
| PPAR gamma LBD bound to SR10221 and SMRT corepressor motif | Descriptor: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Frkic, R.L, Pederick, J.L, Bruning, J.B. | Deposit date: | 2021-11-05 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles. Acs Chem.Biol., 18, 2023
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7SQB
| PPAR gamma LBD bound to Inverse Agonist SR10221 | Descriptor: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Frkic, R.L, Pederick, J.L, Bruning, J.B. | Deposit date: | 2021-11-05 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles. Acs Chem.Biol., 18, 2023
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