6EVD
| Structure of R173A A. niger Fdc1 with prFMN in the hydroxylated form | Descriptor: | Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ... | Authors: | Bailey, S.S, David, L, Payne, K.A.P. | Deposit date: | 2017-11-01 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis. J. Biol. Chem., 293, 2018
|
|
8V9O
| Imaging scaffold engineered to bind the therapeutic protein target BARD1 | Descriptor: | CALCIUM ION, Tetrahedral Nanocage Cage Component Fused to Anti-BARD1 Darpin, Tetrahedral Nanocage Cage, ... | Authors: | Agdanowski, M.P, Castells-Graells, R, Sawaya, M.R, Yeates, T.O, Arbing, M.A. | Deposit date: | 2023-12-08 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.81 Å) | Cite: | X-ray crystal structure of a designed rigidified imaging scaffold in the ligand-free conformation. Acta Crystallogr.,Sect.F, 80, 2024
|
|
4Y7B
| Factor Xa complex with GTC000441 | Descriptor: | 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Factor Xa complex with GTC000441 to be published
|
|
6UP6
| Endophilin B1 helical scaffold | Descriptor: | Endophilin-B1 | Authors: | Bhatt, V.S, Sundborger-Lunna, A.C. | Deposit date: | 2019-10-16 | Release date: | 2020-06-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Amphipathic Motifs Regulate N-BAR Protein Endophilin B1 Auto-inhibition and Drive Membrane Remodeling. Structure, 29, 2021
|
|
6S8K
| Structure, Thermodynamics, and Kinetics of Plinabulin Binding to two Tubulin Isotypes | Descriptor: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sharma, A, Olieric, N, Steinmetz, M. | Deposit date: | 2019-07-10 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure, Thermodynamics, and Kinetics of Plinabulin Binding to Two Tubulin Isotypes Chem, 5, 2019
|
|
6F2R
| A heterotetramer of human HspB2 and HspB3 | Descriptor: | Heat shock protein beta-2, Heat shock protein beta-3,Heat shock protein beta-3,Heat shock protein beta-3,Heat shock protein beta-3,Heat shock protein beta-2, HspB2,Heat shock protein beta-2,Heat shock protein beta-2,Heat shock protein beta-2,Heat shock protein beta-2,Heat shock protein beta-2, ... | Authors: | Clark, A.R, Cole, A.R, Boelens, W.C, Keep, N.H, Slingsby, C. | Deposit date: | 2017-11-27 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Terminal Regions Confer Plasticity to the Tetrameric Assembly of Human HspB2 and HspB3. J.Mol.Biol., 430, 2018
|
|
6ICR
| LdCoroCC mutant- C482A | Descriptor: | 1,2-ETHANEDIOL, Coronin-like protein | Authors: | Karade, S.S, Srivastava, V.K, Ansari, A, Pratap, J.V. | Deposit date: | 2018-09-06 | Release date: | 2019-10-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain. Int.J.Biol.Macromol., 143, 2020
|
|
8GK1
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, LEU-AIB-ALA-AIB-LEU-AIB-GLN-AIB-LEU, ... | Authors: | Hess, S.S, Nguyen, A.I. | Deposit date: | 2023-03-16 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.83 Å) | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks. J.Am.Chem.Soc., 145, 2023
|
|
8AIH
| Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase at 1.9 Angstroms Resolution | Descriptor: | DIHYDROGENPHOSPHATE ION, Probable nicotinate-nucleotide adenylyltransferase, SULFATE ION | Authors: | Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A. | Deposit date: | 2022-07-26 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies. Int.J.Biol.Macromol., 250, 2023
|
|
7R2Y
| Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with ATP resulting from short ATP soak, conflicting T-loop and C-loop with partial occupancy | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Membrane-associated protein slr1513, SODIUM ION | Authors: | Selim, K.A, Albrecht, R, Hartmann, M.D. | Deposit date: | 2022-02-06 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
4Y83
| Crystal structure of COT kinase domain in complex with 5-(2-amino-5-(quinolin-3-yl)pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-thione | Descriptor: | 5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione, Mitogen-activated protein kinase kinase kinase 8 | Authors: | Gutmann, S, Hinniger, A. | Deposit date: | 2015-02-16 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold. J.Biol.Chem., 290, 2015
|
|
8W86
| HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE02 Fab heavy chain, DQN0385AE02 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 (2.236 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
|
|
4RGN
| Structure of Staphylococcal Enterotoxin B bound to two neutralizing antibodies, 14G8 and 6D3 | Descriptor: | 14G8 heavy chain, 14G8 light chain, 6D3 heavy chain, ... | Authors: | Franklin, M.C, Dutta, K, Varshney, A.K, Goger, M.J, Fries, B.C. | Deposit date: | 2014-09-30 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Mechanisms mediating enhanced neutralization efficacy of staphylococcal enterotoxin B by combinations of monoclonal antibodies. J.Biol.Chem., 290, 2015
|
|
8GKB
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, CADMIUM ION, LEU-AIB-ALA-SER-LEU-ALA-CYS-AIB-LEU, ... | Authors: | Hess, S.S, Nguyen, A.I. | Deposit date: | 2023-03-17 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks. J.Am.Chem.Soc., 145, 2023
|
|
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
|
|
5AAV
| Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist | Descriptor: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, ESTROGEN RECEPTOR | Authors: | Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z. | Deposit date: | 2015-07-29 | Release date: | 2015-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist. J.Med.Chem., 58, 2015
|
|
8GBA
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, LEU-(AIB)-ALA-SER-LEU-ALA-CYS-(AIB)-LEU, NICOTINIC ACID | Authors: | Hess, S.S, Nguyen, A.I. | Deposit date: | 2023-02-24 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks. J.Am.Chem.Soc., 145, 2023
|
|
8GBM
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETATE ION, LEAD (II) ION, ... | Authors: | Hess, S.S, Nguyen, A.I. | Deposit date: | 2023-02-26 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks. J.Am.Chem.Soc., 145, 2023
|
|
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
|
|
8AGN
| Cyclohexane epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | Descriptor: | (1R,6S)-7-oxabicyclo[4.1.0]heptane, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.957 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
|
|
6IDS
| Crystal structure of Vibrio cholerae MATE transporter VcmN D35N mutant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MATE family efflux transporter | Authors: | Kusakizako, T, Claxton, D.P, Tanaka, Y, Maturana, A.D, Kuroda, T, Ishitani, R, Mchaourab, H.S, Nureki, O. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter. Structure, 27, 2019
|
|
8GL4
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, LEU-AIB-ALA-CYS-LEU-CYS-GLN-AIB-LEU, ... | Authors: | Hess, S.S, Nguyen, A.I. | Deposit date: | 2023-03-20 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.76 Å) | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks. J.Am.Chem.Soc., 145, 2023
|
|
8DXK
| HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromopyrazole at multiple sites | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
|
|
7R30
| Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with ADP and AMP resulting from ADP soak | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, HEXAETHYLENE GLYCOL, ... | Authors: | Selim, K.A, Albrecht, R, Hartmann, M.D. | Deposit date: | 2022-02-06 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6IF7
| Crystal Structure of AA10 Lytic Polysaccharide Monooxygenase from Tectaria macrodonta | Descriptor: | COPPER (II) ION, Chitin binding protein, GLYCEROL, ... | Authors: | Archana, A, Yadav, S.K, Singh, P.K, Vasudev, P.G. | Deposit date: | 2018-09-18 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insecticidal fern protein Tma12 is possibly a lytic polysaccharide monooxygenase. Planta, 249, 2019
|
|