7ZCY
 
 | | Sporosarcina pasteurii urease (SPU) co-crystallized in the presence of an Ebselen-derivative and bound to Se atoms | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide, ... | | Authors: | Mazzei, L, Ciurli, S, Cianci, M. | | Deposit date: | 2022-03-29 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Optimized Ebselen-Based Inhibitors of Bacterial Ureases with Nontypical Mode of Action.
J.Med.Chem., 66, 2023
|
|
7A8E
 | |
6I22
 | | Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism | | Descriptor: | Aureochrome1-like protein, FLAVIN MONONUCLEOTIDE | | Authors: | Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A. | | Deposit date: | 2018-10-31 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
|
|
7YOW
 | |
6BH7
 | | Phosphotriesterase variant R18+254S | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | Deposit date: | 2017-10-30 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Phosphotriesterase variant R18+254S
To Be Published
|
|
7A9Z
 | | Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands | | Descriptor: | 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 1 | | Authors: | Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E. | | Deposit date: | 2020-09-02 | | Release date: | 2021-02-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
7LOT
 | |
6ZN7
 | | MaeB malic enzyme domain apoprotein | | Descriptor: | MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malate dehydrogenase,Malate dehydrogenase | | Authors: | Lovering, A.L, Harding, C.J. | | Deposit date: | 2020-07-06 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
|
|
8R2E
 | |
7ZCJ
 | | Crystal structure of Pizza6-TNH-TSH with Silicotungstic Acid (STA) polyoxometalate | | Descriptor: | Keggin (STA), Pizza6-TNH-TSH | | Authors: | Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D. | | Deposit date: | 2022-03-28 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
|
|
6BIC
 | | 2.25 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | | Descriptor: | (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, 3C-like protease | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
|
|
7LL8
 | | D-Protein RFX-V1 Bound to the VEGFR1 Domain 2 Site on VEGF-A | | Descriptor: | Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V1 | | Authors: | Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S. | | Deposit date: | 2021-02-03 | | Release date: | 2021-02-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
|
|
7A7M
 | |
6BIJ
 | | HLA-DRB1 in complex with citrullinated fibrinogen peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Citrullinated Fibrinogen 72,74Cit69-81, HLA class II histocompatibility antigen, ... | | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | | Deposit date: | 2017-11-02 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
|
|
7LLF
 | | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-83 | | Descriptor: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, BORIC ACID, GLYCEROL, ... | | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | | Deposit date: | 2021-02-03 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
|
|
7A7V
 | |
6I2P
 | | Crystal structure of the Mycobacterium tuberculosis PknB kinase domain (L33E mutant) in complex with its substrate GarA | | Descriptor: | Glycogen accumulation regulator GarA, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Andre-Leroux, G, Hindie, V, Barilone, N, Bellinzoni, M, Alzari, P.M. | | Deposit date: | 2018-11-01 | | Release date: | 2019-05-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
|
|
7QNP
 | | Designed Armadillo repeat protein N(A4)M4C(AII) co-crystallized with hen egg white lysozyme | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Designed Armadillo Repeat Protein N(A4)M4C(AII), ... | | Authors: | Michel, E, Mittl, P.R.E, Plueckthun, A. | | Deposit date: | 2021-12-21 | | Release date: | 2022-06-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.586 Å) | | Cite: | Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design.
Biochemistry, 62, 2023
|
|
7A89
 | |
6BKL
 | | Influenza A M2 transmembrane domain bound to rimantadine | | Descriptor: | (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, Matrix protein 2, RIMANTADINE | | Authors: | Thomaston, J.L, DeGrado, W.F. | | Deposit date: | 2017-11-08 | | Release date: | 2018-09-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
|
|
7LL9
 | | D-Protein RFX-V2 Bound to the VEGFR1 Domain 3 Site on VEGF-A | | Descriptor: | Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V2 | | Authors: | Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S. | | Deposit date: | 2021-02-03 | | Release date: | 2021-03-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
|
|
7A9Y
 | | Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands | | Descriptor: | Cellular retinoic acid-binding protein 1, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E. | | Deposit date: | 2020-09-02 | | Release date: | 2021-02-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
8R86
 | |
7Q5W
 | | The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures
Structure, 2024
|
|
7LOS
 | | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-65 | | Descriptor: | 5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide, CHLORIDE ION, Non-structural protein 3, ... | | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | | Deposit date: | 2021-02-10 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
|
|
