6NOS
 
 | | PD-L1 IgV domain V76T with fragment | | Descriptor: | 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine, Programmed cell death 1 ligand 1 | | Authors: | Zhao, B, Perry, E. | | Deposit date: | 2019-01-16 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
|
|
1SRH
 | |
5MZM
 | | Structure of H-2Db in complex with TEIPP APL Trh4 p3P | | Descriptor: | Beta-2-microglobulin, Ceramide synthase 5 derived peptide Trh4 p3P, GLYCEROL, ... | | Authors: | Hafstrand, I, Achour, A, Sandalova, T. | | Deposit date: | 2017-02-01 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Immunogenicity of a Proline-Substituted Altered Peptide Ligand toward the Cancer-Associated TEIPP Neoepitope Trh4 Is Unrelated to Complex Stability.
J. Immunol., 200, 2018
|
|
6PRK
 | | X-ray Crystal Structure of Bacillus subtilis RicA in complex with RicF | | Descriptor: | RicA, RicF | | Authors: | Khaja, F.T, Jeffrey, P.D, Neiditch, M.B, Dubnau, D. | | Deposit date: | 2019-07-10 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-Function Studies of the Bacillus subtilis Ric Proteins Identify the Fe-S Cluster-Ligating Residues and Their Roles in Development and RNA Processing.
Mbio, 10, 2019
|
|
6PRH
 | |
6NM8
 | | IgV-V76T BMS compound 105 | | Descriptor: | N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine, Programmed cell death 1 ligand 1 | | Authors: | Perry, E, Zhao, B, Fesik, S. | | Deposit date: | 2019-01-10 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.792 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
|
|
7A3Z
 | | OSM-3 kinesin motor domain complexed with Mg.ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Osmotic avoidance abnormal protein 3 | | Authors: | Varela, F.P, Menetrey, J, Gigant, B. | | Deposit date: | 2020-08-19 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Structural snapshots of the kinesin-2 OSM-3 along its nucleotide cycle: implications for the ATP hydrolysis mechanism.
Febs Open Bio, 11, 2021
|
|
2YDB
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, soaked with 2',3'-cyclic NADP | | Descriptor: | 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Myllykoski, M, Kursula, P. | | Deposit date: | 2011-03-18 | | Release date: | 2012-03-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active- Site Ligand Binding and Molecular Conformation.
Plos One, 7, 2012
|
|
6XPC
 | | Structure of human GGT1 in complex with full GSH molecule | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTATHIONE, ... | | Authors: | Terzyan, S.S, Hanigan, M. | | Deposit date: | 2020-07-08 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structures of glutathione- and inhibitor-bound human GGT1: critical interactions within the cysteinylglycine binding site.
J.Biol.Chem., 296, 2020
|
|
7A40
 | | Nucleotide-free OSM-3 kinesin motor domain | | Descriptor: | GLYCEROL, Osmotic avoidance abnormal protein 3, SULFATE ION | | Authors: | Varela, F.P, Menetrey, J, Gigant, B. | | Deposit date: | 2020-08-19 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Structural snapshots of the kinesin-2 OSM-3 along its nucleotide cycle: implications for the ATP hydrolysis mechanism.
Febs Open Bio, 11, 2021
|
|
7A5E
 | | OSM-3 kinesin motor domain complexed with Mg.AMPPNP | | Descriptor: | GLYCEROL, MAGNESIUM ION, Osmotic avoidance abnormal protein 3, ... | | Authors: | Varela, F.P, Menetrey, J, Gigant, B. | | Deposit date: | 2020-08-21 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Structural snapshots of the kinesin-2 OSM-3 along its nucleotide cycle: implications for the ATP hydrolysis mechanism.
Febs Open Bio, 11, 2021
|
|
4JK6
 | | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Aba) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | | Deposit date: | 2013-03-09 | | Release date: | 2013-07-17 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
|
|
2Y3X
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, complexed with sulfate | | Descriptor: | 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, GLYCEROL, ... | | Authors: | Myllykoski, M, Kursula, P. | | Deposit date: | 2011-01-04 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation.
Plos One, 7, 2012
|
|
4WN5
 | | Crystal structure of the C-terminal Per-Arnt-Sim (PASb) of human HIF-3alpha9 bound to 18:1-1-monoacylglycerol | | Descriptor: | HEXAETHYLENE GLYCOL, Hypoxia-inducible factor 3-alpha, MONOVACCENIN, ... | | Authors: | Fala, A.M, Oliveira, J.F, Dias, S.M, Ambrosio, A.L. | | Deposit date: | 2014-10-10 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Unsaturated fatty acids as high-affinity ligands of the C-terminal Per-ARNT-Sim domain from the Hypoxia-inducible factor 3 alpha.
Sci Rep, 5, 2015
|
|
7ZL1
 | | PTX3 Pentraxin Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pentraxin-related protein PTX3 | | Authors: | Noone, D.P, Sharp, T.H. | | Deposit date: | 2022-04-13 | | Release date: | 2022-08-03 | | Last modified: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | PTX3 structure determination using a hybrid cryoelectron microscopy and AlphaFold approach offers insights into ligand binding and complement activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
2Y1P
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, complexed with citrate | | Descriptor: | 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, CITRIC ACID, ... | | Authors: | Myllykoski, M, Kursula, P. | | Deposit date: | 2010-12-09 | | Release date: | 2011-12-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation.
Plos One, 7, 2012
|
|
6NP9
 | | PD-L1 IgV domain V76T with fragment | | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION | | Authors: | Zhao, B, Perry, E. | | Deposit date: | 2019-01-17 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
|
|
1SRG
 | |
1SRI
 | |
1SRF
 | |
6NOJ
 | | PD-L1 IgV domain V76T with fragment | | Descriptor: | Programmed cell death 1 ligand 1, methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate | | Authors: | Zhao, B, Perry, E. | | Deposit date: | 2019-01-16 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
|
|
6Y84
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
|
|
6NNV
 | | PD-L1 IgV domain complex with macro-cyclic peptide | | Descriptor: | Programmed cell death 1 ligand 1, macrocyclic peptide | | Authors: | Zhao, B, Perry, E. | | Deposit date: | 2019-01-15 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
|
|
1VHZ
 | | Crystal structure of ADP compounds hydrolase | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP compounds hydrolase nudE | | Authors: | Structural GenomiX | | Deposit date: | 2003-12-01 | | Release date: | 2003-12-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
|
|
2Y62
 | | Crystal structure of Leishmanial E65Q-TIM complexed with R-Glycidol phosphate | | Descriptor: | GLYCEROL, SN-GLYCEROL-1-PHOSPHATE, SN-GLYCEROL-3-PHOSPHATE, ... | | Authors: | Venkatesan, R, Alahuhta, M, Pihko, P.M, Wierenga, R.K. | | Deposit date: | 2011-01-19 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | High Resolution Crystal Structures of Triosephosphate Isomerase Complexed with its Suicide Inhibitors: The Conformational Flexibility of the Catalytic Glutamate in its Closed, Liganded Active Site.
Protein Sci., 20, 2011
|
|
