7ECR
 
 | | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Succinate and ADP-ribose | | Descriptor: | GLYCEROL, Glutamate dehydrogenase, SUCCINIC ACID, ... | | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | | Deposit date: | 2021-03-13 | | Release date: | 2021-12-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites.
Proteins, 90, 2022
|
|
6M81
 | | Crystal structure of TylM1 Y14F bound to SAH and dTDP-phenol | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, S-ADENOSYL-L-HOMOCYSTEINE, dTDP-3-amino-3,6-dideoxy-alpha-D-glucopyranose N,N-dimethyltransferase | | Authors: | Fick, R.J, McDole, B.G, Trievel, R.C. | | Deposit date: | 2018-08-21 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | Structural and Functional Characterization of Sulfonium Carbon-Oxygen Hydrogen Bonding in the Deoxyamino Sugar Methyltransferase TylM1.
Biochemistry, 58, 2019
|
|
7K5V
 | | OXA-48 bound by Compound 3.1 | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2020-09-17 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
|
|
6U8O
 | |
5KPO
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L. | | Deposit date: | 2016-07-05 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
|
|
6EKP
 | | Tryptophan Repressor TrpR from E.coli variant T44L T81M S88Y with Indole-3-acetic acid as ligand | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, 3,6,9,12,15-PENTAOXAHEPTADECANE, Trp operon repressor | | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | | Deposit date: | 2017-09-26 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | A biosensor for the direct visualization of auxin
Nature, 2021
|
|
5E6B
 | | Glucocorticoid receptor DNA binding domain - RELB NF-kB response element complex | | Descriptor: | DNA (5'-D(*CP*CP*GP*GP*GP*GP*AP*AP*TP*TP*CP*CP*GP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*AP*AP*TP*TP*CP*CP*CP*CP*GP*G)-3'), Glucocorticoid receptor, ... | | Authors: | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | | Deposit date: | 2015-10-09 | | Release date: | 2017-02-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
|
|
5KYC
 | |
5E8P
 | | The structure of the TEIPP associated altered peptide ligand Trh4-p5NLE in complex with H-2D(b) | | Descriptor: | Beta-2-microglobulin, Ceramide synthase 5, H-2 class I histocompatibility antigen, ... | | Authors: | Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A. | | Deposit date: | 2015-10-14 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer.
J Immunol., 196, 2016
|
|
5ZZ1
 | | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | | Authors: | Yuzugullu Karakus, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2018-05-29 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Identification of the site of oxidase substrate binding in Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 74, 2018
|
|
6UIG
 | |
5I9B
 | | Caspase 3 V266A | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-19 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
6LW2
 | | The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | | Descriptor: | 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | | Deposit date: | 2020-02-07 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
|
|
8P3D
 | | Full length structure of TcMIP with bound inhibitor NJS224. | | Descriptor: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide, SODIUM ION, peptidylprolyl isomerase | | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | Deposit date: | 2023-05-17 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
|
|
5IBC
 | | Caspase 3 V266I | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-22 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
7KMG
 | | LY-CoV555 neutralizing antibody against SARS-CoV-2 | | Descriptor: | GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ... | | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | | Deposit date: | 2020-11-02 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
|
|
1P8K
 | |
5IBN
 | |
5KW9
 | |
5DUY
 | | Structure of lectin from the sea mussel Crenomytilus grayanus | | Descriptor: | GLYCEROL, GalNAc/Gal-specific lectin | | Authors: | Lubkowski, J, Jakob, M, O'Keefe, B, Wlodawer, A. | | Deposit date: | 2015-09-21 | | Release date: | 2015-11-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure of a lectin from the sea mussel Crenomytilus grayanus (CGL).
Acta Crystallogr.,Sect.F, 71, 2015
|
|
8P42
 | | Full length structure of TcMIP with bound inhibitor NJS227. | | Descriptor: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Macrophage infectivity potentiator | | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | Deposit date: | 2023-05-19 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
|
|
5IBP
 | | Caspase 3 V266M | | Descriptor: | ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-22 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5IFR
 | | Structure of the stable UBE2D3-UbDha conjugate | | Descriptor: | GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3 | | Authors: | Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D. | | Deposit date: | 2016-02-26 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes.
Nat.Chem.Biol., 12, 2016
|
|
4WLI
 | | Stationary Phase Survival Protein YuiC from B.subtilis | | Descriptor: | 1,2-ETHANEDIOL, YuiC | | Authors: | Quay, D.H.X, Cole, A.R, Cryar, A, Thalassinos, K, Williams, M.A, Bhakta, S, Keep, N.H. | | Deposit date: | 2014-10-07 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure of the stationary phase survival protein YuiC from B.subtilis.
Bmc Struct.Biol., 15, 2015
|
|
8F7H
 | | The condensation domain of surfactin A synthetase C variant 18b in space group P212121 | | Descriptor: | GLYCEROL, Surfactin synthetase | | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
|
|
