3OGT
 
 | | Design, Chemical synthesis, Functional characterization and Crystal structure of the sidechain analogue of 1,25-dihydroxyvitamin D3. | | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | | Authors: | Huet, T, Fraga, R, Mourino, A, Moras, D, Rochel, N. | | Deposit date: | 2010-08-17 | | Release date: | 2011-08-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design, Chemical synthesis, Functional characterization and Crystal structure of the sidechain analogue of 1,25-dihydroxyvitamin D3.
To be Published
|
|
1VYU
 | | Beta3 subunit of Voltage-gated Ca2+-channel | | Descriptor: | CALCIUM CHANNEL BETA-3 SUBUNIT | | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Liang, T, Yang, J. | | Deposit date: | 2004-05-07 | | Release date: | 2004-06-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels
Nature, 429, 2004
|
|
1VYV
 | | beta4 subunit of Ca2+ channel | | Descriptor: | CALCIUM CHANNEL BETA-4SUBUNIT | | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Liang, T, Yang, J. | | Deposit date: | 2004-05-07 | | Release date: | 2004-06-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels
Nature, 429, 2004
|
|
1VYT
 | | beta3 subunit complexed with aid | | Descriptor: | CALCIUM CHANNEL BETA-3 SUBUNIT, VOLTAGE-DEPENDENT L-TYPE CALCIUM CHANNEL ALPHA-1C SUBUNIT | | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Tong, L, Yang, J. | | Deposit date: | 2004-05-07 | | Release date: | 2004-06-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels
Nature, 429, 2004
|
|
3CS4
 | | Structure-based design of a superagonist ligand for the vitamin D nuclear receptor | | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol, Vitamin D3 receptor | | Authors: | Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, F, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D. | | Deposit date: | 2008-04-09 | | Release date: | 2008-05-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
|
|
3CS6
 | | Structure-based design of a superagonist ligand for the vitamin D nuclear receptor | | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, Vitamin D3 receptor | | Authors: | Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, P, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D. | | Deposit date: | 2008-04-09 | | Release date: | 2008-05-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
|
|
6SPX
 | | Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502 | | Descriptor: | 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid, ARC1502, Casein kinase II subunit alpha | | Authors: | Niefind, K, Schnitzler, A. | | Deposit date: | 2019-09-03 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.994 Å) | | Cite: | Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2.
Bioorg.Chem., 96, 2020
|
|
6SPW
 | | Structure of protein kinase CK2 catalytic subunit with the CK2beta-competitive bisubstrate inhibitor ARC3140 | | Descriptor: | 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid, ARC3140, Casein kinase II subunit alpha, ... | | Authors: | Niefind, K, Schnitzler, A. | | Deposit date: | 2019-09-03 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2.
Bioorg.Chem., 96, 2020
|
|
8QCD
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE | | Descriptor: | 1,2-ETHANEDIOL, 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Casein kinase II subunit alpha' | | Authors: | Werner, C, Niefind, K. | | Deposit date: | 2023-08-25 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
|
|
8QCG
 | |
2IDR
 | | Crystal structure of translation initiation factor EIF4E from wheat | | Descriptor: | Eukaryotic translation initiation factor 4E-1 | | Authors: | Monzingo, A.F, Sadow, J, Dhaliwal, S, Lyon, A, Hoffman, D.W, Robertus, J.D, Browning, K.S. | | Deposit date: | 2006-09-15 | | Release date: | 2007-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The structure of eukaryotic translation initiation factor-4E from wheat reveals a novel disulfide bond.
Plant Physiol., 143, 2007
|
|
6P8M
 | |
8Q77
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BISUBSTRATE INHIBITOR ARC-780 | | Descriptor: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Werner, C, Lindenblatt, D, Niefind, K. | | Deposit date: | 2023-08-15 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.255 Å) | | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
|
|
8QBU
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR CX-4945 AND THE ALPHA-D-POCKET LIGAND 3,4-DICHLORO PHENETHYLAMINE (DPA) | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, ... | | Authors: | Werner, C, Niefind, K. | | Deposit date: | 2023-08-25 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
|
|
8QF1
 | |
4UUY
 | | Structural Identification of the Vps18 beta-propeller reveals a critical role in the HOPS complex stability and function. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Behrmann, H, Gohlke, U, Heinemann, U. | | Deposit date: | 2014-08-01 | | Release date: | 2014-10-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural Identification of the Vps18 Beta-Propeller Reveals a Critical Role in the Hops Complex Stability and Function.
J.Biol.Chem., 289, 2014
|
|
6CVH
 | | Identification and biological evaluation of thiazole-based inverse agonists of RORgt | | Descriptor: | Nuclear receptor ROR-gamma, trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid | | Authors: | Spurlino, J, Milligan, C. | | Deposit date: | 2018-03-28 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Identification and biological evaluation of thiazole-based inverse agonists of ROR gamma t.
Bioorg. Med. Chem. Lett., 28, 2018
|
|
8Q9S
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR SGC-CK2-1 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha', ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide | | Authors: | Werner, C, Lindenblatt, D, Niefind, K. | | Deposit date: | 2023-08-21 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.352 Å) | | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
|
|
7AM9
 | | OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution | | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | | Deposit date: | 2020-10-08 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
|
|
7ASQ
 | |
7B2N
 | | Crystal structure of Chlamydomonas reinhardtii chloroplastic Fructose bisphosphate aldolase | | Descriptor: | CHLORIDE ION, Fructose-bisphosphate aldolase 1, chloroplastic, ... | | Authors: | Le Moigne, T, Lemaire, S.D, Henri, J. | | Deposit date: | 2020-11-27 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal structure of chloroplast fructose-1,6-bisphosphate aldolase from the green alga Chlamydomonas reinhardtii.
J.Struct.Biol., 214, 2022
|
|
7B39
 | | Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist | | Descriptor: | (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | | Authors: | Rochel, N. | | Deposit date: | 2020-11-29 | | Release date: | 2021-09-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Design, Synthesis, Evaluation and Structure of Allenic 1 alpha ,25-Dihydroxyvitamin D 3 Analogs with Locked Mobility at C-17.
Chemistry, 27, 2021
|
|
6NV1
 | | Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor | | Descriptor: | (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ... | | Authors: | Thomaston, J.L, Liu, L, DeGrado, W.F. | | Deposit date: | 2019-02-04 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
|
|
6P8N
 | |
6OUG
 | | Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct | | Descriptor: | (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2 | | Authors: | Thomaston, J.L, Liu, L, DeGrado, W.F. | | Deposit date: | 2019-05-04 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
|
|
