8W85
| HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE01 Fab heavy chain, DQN0385AE01 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.769 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
|
|
8UKQ
| RNA polymerase II elongation complex with Fapy-dG lesion in apo state | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Hou, P, Oh, J, Wang, D. | Deposit date: | 2023-10-15 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG. J.Am.Chem.Soc., 146, 2024
|
|
8W84
| HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
|
|
8W03
| Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-1154 | Descriptor: | (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-13 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8UVZ
| |
8WVB
| Crystal structure of Lsd18 mutant S195M | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative epoxidase LasC | Authors: | Liu, N, Xiao, H.L, Chen, X. | Deposit date: | 2023-10-23 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Simultaneous Improvement in the Thermostability and Catalytic Activity of Epoxidase Lsd18 for the Synthesis of Lasalocid A. Int J Mol Sci, 24, 2023
|
|
8W83
| HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.818 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
|
|
9EU8
| The FK1 domain of FKBP51 in complex with SAFit-analog 15h | Descriptor: | (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
|
|
8YLE
| Crystal structure of Werner syndrome helicase complexed with AMP-PCP | Descriptor: | 1,2-ETHANEDIOL, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Yang, Y, Fu, L, Sun, X, Cheng, H, Chen, R. | Deposit date: | 2024-03-06 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of werner syndrome helicase complexed with AMP-PCP at 1.86 Angstroms resolution. To Be Published
|
|
8TQD
| NF-Kappa-B1 Bound with a Covalent Inhibitor | Descriptor: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit | Authors: | Hilbert, B.J. | Deposit date: | 2023-08-07 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell, 187, 2024
|
|
8YRH
| Complex of SARS-CoV-2 main protease and Rosmarinic acid | Descriptor: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, 3C-like proteinase nsp5 | Authors: | Wang, Q.S, Li, Q.H. | Deposit date: | 2024-03-21 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Structural basis of rosmarinic acid inhibitory mechanism on SARS-CoV-2 main protease. Biochem.Biophys.Res.Commun., 724, 2024
|
|
8WVF
| Crystal structure of Lsd18 mutant T189M and S195M | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative epoxidase LasC | Authors: | Liu, N, Xiao, H.L, Chen, X. | Deposit date: | 2023-10-23 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.757 Å) | Cite: | Simultaneous Improvement in the Thermostability and Catalytic Activity of Epoxidase Lsd18 for the Synthesis of Lasalocid A. Int J Mol Sci, 24, 2023
|
|
8VZ0
| Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-400 | Descriptor: | (1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
9EUB
| The FK1 domain of FKBP51 in complex with SAFit-analog 24e | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
|
|
9EUD
| The FK1 domain of FKBP51 in complex with SAFit-analog 23c | Descriptor: | (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.022 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
|
|
8YVV
| The Crystal Structure of BTK from Biortus | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | Deposit date: | 2024-03-29 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Crystal Structure of BTK from Biortus. To Be Published
|
|
9EWO
| Mpro from SARS-CoV-2 with R4A R298A double mutations | Descriptor: | Non-structural protein 11, SULFATE ION | Authors: | Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K. | Deposit date: | 2024-04-04 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
|
|
9B1Z
| |
8WFG
| |
8VUI
| Structure of FabS1CE-EPR-1, an elbow-locked Fab, in complex with the erythropoeitin receptor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ... | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sidhu, S.S. | Deposit date: | 2024-01-29 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones. Protein Sci., 33, 2024
|
|
9EY3
| The FK1 domain of FKBP51 in complex with (3S,11S,11aS)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxylic acid | Descriptor: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Krajczy, P, Hausch, F. | Deposit date: | 2024-04-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins. Chemistry, 2024
|
|
8WGF
| The Crystal Structure of JNK3 from Biortus. | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | Deposit date: | 2023-09-21 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Crystal Structure of JNK3 from Biortus. To Be Published
|
|
8X5M
| The Crystal Structure of JNK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, GLYCEROL, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-11-17 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of JNK1 from Biortus. To Be Published
|
|
8X23
| The Crystal Structure of MAPK13 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13 | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | Deposit date: | 2023-11-09 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of MAPK13 from Biortus. To Be Published
|
|
9EY4
| The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide | Descriptor: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Krajczy, P, Hausch, F. | Deposit date: | 2024-04-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins. Chemistry, 2024
|
|