1Y3A
 
 | | Structure of G-Alpha-I1 bound to a GDP-selective peptide provides insight into guanine nucleotide exchange | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | | Authors: | Johnston, C.A, Willard, F.S, Jezyk, M.R, Fredericks, Z, Bodor, E.T, Jones, M.B, Blaesius, R, Harden, T.K, Sondek, J, Watts, V.J, Ramer, J.K, Siderovski, D.P. | | Deposit date: | 2004-11-24 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of G-Alpha-I1 bound to a GDP-selective peptide provides insight into guanine nucleotide exchange
Structure, 7, 2005
|
|
5MU8
 | | HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525 | | Descriptor: | Tumor necrosis factor, ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine | | Authors: | Blevitt, J.M, Hack, M.D, Herman, K.L, Jackson, P.F, Krawczuk, P.J, Lebsack, A.D, Liu, A.X, Mirzadegan, T, Nelen, M.I, Patrick, A.P, Steinbacher, S, Milla, M.E, Lumb, K.J. | | Deposit date: | 2017-01-12 | | Release date: | 2017-03-29 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction.
J. Med. Chem., 60, 2017
|
|
6O08
 | | Gluconobacter Ene-Reductase (GluER) | | Descriptor: | ACETATE ION, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Garfinkle, S.E, Jeffrey, P, Hyster, T.K. | | Deposit date: | 2019-02-15 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Photoexcitation of flavoenzymes enables a stereoselective radical cyclization.
Science, 364, 2019
|
|
6NXM
 | |
6NXV
 | | Crystal structure of the theta class glutathione S-transferase from the citrus canker pathogen Xanthomonas axonopodis pv. citri, apo form | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Glutathione S-transferase | | Authors: | Hilario, E, De Keyser, S, Fan, L. | | Deposit date: | 2019-02-10 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural and biochemical characterization of a glutathione transferase from the citrus canker pathogen Xanthomonas.
Acta Crystallogr D Struct Biol, 76, 2020
|
|
8OIV
 | | Monkeypox virus VP39 in complex with SAH and cap0 | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Skvara, P, Chalupska, D, Silhan, J, Klima, M, Boura, E. | | Deposit date: | 2023-03-23 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural basis for RNA-cap recognition and methylation by the mpox methyltransferase VP39.
Antiviral Res., 216, 2023
|
|
5OME
 | | The cryofrozen atomic resolution X-ray crystal structure of the reduced form (Fe2+) perdeuterated Pyrococcus furiosus Rubredoxin in D2O (100K, 0.75 Angstrom resolution) | | Descriptor: | FE (III) ION, PHOSPHATE ION, Rubredoxin, ... | | Authors: | Cuypers, M.G, Mason, S.A, Mossou, E, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2017-07-31 | | Release date: | 2018-09-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (0.747 Å) | | Cite: | The cryofrozen atomic resolution X-ray crystal structure of the reduced form (Fe2+) perdeuterated Pyrococcus furiosus Rubredoxin in D2O (100K, 0.75 Angstrom resolution)
To Be Published
|
|
3P0N
 | | Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor | | Descriptor: | 7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-29 | | Release date: | 2010-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
|
|
5WAN
 | | Crystal Structure of a flavoenzyme RutA in the pyrimidine catabolic pathway | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Pyrimidine monooxygenase RutA, ... | | Authors: | Zhang, Y, Mukherjee, T, Abdelwahed, S, Begley, T.P, Ealick, S.E. | | Deposit date: | 2017-06-26 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Catalysis of a flavoenzyme-mediated amide hydrolysis.
J. Am. Chem. Soc., 132, 2010
|
|
2EIE
 | | Crystal Structure of Galactose Oxidase complexed with Azide | | Descriptor: | AZIDE ION, COPPER (II) ION, Galactose oxidase | | Authors: | Phillips, S.E, McPherson, M.J, Knowles, P.F, Akyumani, N, Firbank, S.J, Tamber, S. | | Deposit date: | 2007-03-12 | | Release date: | 2007-04-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Biochemistry, 46, 2007
|
|
5E7N
 | | Crystal Structure of RPA70N in complex with VU0085636 | | Descriptor: | 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Gilston, B.A, Patrone, J.D, Pelz, N.F, Bates, B.S, Souza-Fagundes, E.M, Vangamudi, B, Camper, D, Kuznetsov, A, Browning, C.F, Feldkamp, M.D, Olejniczak, E.T, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2015-10-12 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Identification and Optimization of Anthranilic Acid Based Inhibitors of Replication Protein A.
Chemmedchem, 11, 2016
|
|
4TQ8
 | | Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR) | | Descriptor: | 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | | Authors: | Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A. | | Deposit date: | 2014-06-10 | | Release date: | 2015-06-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
|
|
5CZM
 | | Crystal structure of a mutated catalytic domain of Human MMP12 in complex with RXP470 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | | Authors: | Rouanet-Mehouas, C, Roselia, L, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2015-07-31 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.303 Å) | | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
|
|
5MWA
 | | human sEH Phosphatase in complex with 3-4-3,4-dichlorophenyl-5-phenyl-1,3-oxazol-2-yl-benzoic-acid | | Descriptor: | 3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Sorrell, F.J, Fox, N, Chaikuad, A, Knapp, S, Proschak, E. | | Deposit date: | 2017-01-18 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of first in vivo active inhibitors of soluble epoxide hydrolase (sEH) phosphatase domain.
J.Med.Chem., 2019
|
|
5E8O
 | | The structure of the TEIPP associated altered peptide ligand Trh4-p2ABU 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 (1.98 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
|
|
4S0P
 | |
7VLA
 | | Cryo-EM structure of the CCL15(27-92) bound CCR1-Gi complex | | Descriptor: | C-C chemokine receptor type 1, CCL15(27-92), CHOLESTEROL, ... | | Authors: | Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H. | | Deposit date: | 2021-10-02 | | Release date: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
|
|
5OX0
 | | Glycogen Phosphorylase in complex with CK898 | | Descriptor: | (1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
|
|
7VL8
 | | Cryo-EM structure of the Apo CCR1-Gi complex | | Descriptor: | C-C chemokine receptor type 1, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H. | | Deposit date: | 2021-10-02 | | Release date: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
|
|
5UYU
 | | Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12 | | Descriptor: | (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Whittington, D.A, Long, A.M, Sickmier, E.A. | | Deposit date: | 2017-02-24 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D.
Medchemcomm, 8, 2017
|
|
7VL9
 | | Cryo-EM structure of the CCL15(26-92) bound CCR1-Gi complex | | Descriptor: | C-C chemokine receptor type 1, CCL15(26-92), CHOLESTEROL, ... | | Authors: | Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H. | | Deposit date: | 2021-10-02 | | Release date: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
|
|
6NX2
 | | Crystal structure of computationally designed protein AAA | | Descriptor: | BROMIDE ION, Design construct AAA | | Authors: | Wei, K.Y, Bick, M.J. | | Deposit date: | 2019-02-07 | | Release date: | 2020-04-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6NZ3
 | |
1PRN
 | |
6O0M
 | | crystal structure of BCL-2 F104L mutation with venetoclax | | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, DI(HYDROXYETHYL)ETHER | | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-02-16 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
|
|
