1YHS
| Crystal structure of Pim-1 bound to staurosporine | Descriptor: | Proto-oncogene serine/threonine-protein kinase Pim-1, STAUROSPORINE | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | Deposit date: | 2005-01-10 | Release date: | 2005-01-25 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. J.Biol.Chem., 280, 2005
|
|
2V8P
| IspE in complex with ADP and CDP | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-08-13 | Release date: | 2007-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery. FEBS J., 275, 2008
|
|
5SY5
| Crystal Structure of the Heterodimeric NPAS1-ARNT Complex | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Neuronal PAS domain-containing protein 1 | Authors: | Wu, D, Su, X, Potluri, N, Kim, Y, Rastinejad, F. | Deposit date: | 2016-08-10 | Release date: | 2016-11-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | NPAS1-ARNT and NPAS3-ARNT crystal structures implicate the bHLH-PAS family as multi-ligand binding transcription factors. Elife, 5, 2016
|
|
4X6E
| CD1a binary complex with lysophosphatidylcholine | Descriptor: | (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Beta-2-microglobulin, D-MALATE, ... | Authors: | Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2014-12-08 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands. Nat.Immunol., 16, 2015
|
|
5N2D
| Structure of PD-L1/small-molecule inhibitor complex | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-02-07 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
|
|
2E39
| Crystal structure of the CN-bound form of Arthromyces ramosus peroxidase at 1.3 Angstroms resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ... | Authors: | Fukuyama, K, Okada, T. | Deposit date: | 2006-11-22 | Release date: | 2007-03-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of cyanide, nitric oxide and hydroxylamine complexes of Arthromyces ramosusperoxidase at 100 K refined to 1.3 A resolution: coordination geometries of the ligands to the haem iron ACTA CRYSTALLOGR.,SECT.D, 63, 2007
|
|
5SY7
| Crystal Structure of the Heterodimeric NPAS3-ARNT Complex with HRE DNA | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ... | Authors: | Wu, D, Su, X, Potluri, N, Kim, Y, Rastinejad, F. | Deposit date: | 2016-08-10 | Release date: | 2016-11-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | NPAS1-ARNT and NPAS3-ARNT crystal structures implicate the bHLH-PAS family as multi-ligand binding transcription factors. Elife, 5, 2016
|
|
6JUX
| Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807 | Descriptor: | 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2019-04-15 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches. Acs Omega, 5, 2020
|
|
8EBN
| Structure of KLHDC2-EloB/C tetrameric assembly | Descriptor: | Elongin-B, Elongin-C, Kelch domain-containing protein 2 | Authors: | Scott, D.C, Schulman, B.A. | Deposit date: | 2022-08-31 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity. Mol.Cell, 83, 2023
|
|
1YI3
| Crystal Structure of Pim-1 bound to LY294002 | Descriptor: | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | Deposit date: | 2005-01-11 | Release date: | 2005-01-25 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. J.Biol.Chem., 280, 2005
|
|
4X6B
| BK6 TCR apo structure | Descriptor: | TCR alpha, TCR beta | Authors: | Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2014-12-07 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands. Nat.Immunol., 16, 2015
|
|
6GY5
| Crystal structure of the kelch domain of human KLHL20 in complex with DAPK1 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Death-associated protein kinase 1, ... | Authors: | Chen, Z, Hozjan, V, Strain-Damerell, C, Williams, E, Wang, D, Cooper, C.D.O, Sanvitale, C.E, Fairhead, M, Carpenter, E.P, Pike, A.C.W, Krojer, T, Srikannathasan, V, Sorrell, F, Johansson, C, Mathea, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-06-28 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.086 Å) | Cite: | Structural Basis for Recruitment of DAPK1 to the KLHL20 E3 Ligase. Structure, 27, 2019
|
|
8DLD
| Crystal structure of chalcone-isomerase like protein from Physcomitrella patens (PpCHIL-A) | Descriptor: | Chalcone-flavonone isomerase family protein | Authors: | Wolf Saxon, E, Moorman, C, Castro, A, Ruiz, A, Mallari, J.P, Burke, J.R. | Deposit date: | 2022-07-07 | Release date: | 2023-05-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Regulatory ligand binding in plant chalcone isomerase-like (CHIL) proteins. J.Biol.Chem., 299, 2023
|
|
8DLC
| Crystal structure of chalcone-isomerase like protein from Vitis vinifera (VvCHIL) | Descriptor: | Chalcone-flavonone isomerase family protein | Authors: | Wolf Saxon, E, Moorman, C, Castro, A, Ruiz, A, Mallari, J.P, Burke, J.R. | Deposit date: | 2022-07-07 | Release date: | 2023-05-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Regulatory ligand binding in plant chalcone isomerase-like (CHIL) proteins. J.Biol.Chem., 299, 2023
|
|
4E6N
| Crystal structure of bacterial Pnkp-C/Hen1-N heterodimer | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase, ... | Authors: | Huang, R.H, Wang, P. | Deposit date: | 2012-03-15 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Molecular basis of bacterial protein Hen1 activating the ligase activity of bacterial protein Pnkp for RNA repair. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
5V0N
| BACE1 in complex with inhibitor 5g | Descriptor: | Beta-secretase 1, GLYCEROL, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ... | Authors: | Mesecar, A, Ghosh, A, Yen, Y.-C. | Deposit date: | 2017-02-28 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.155 Å) | Cite: | Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands. Bioorg. Med. Chem. Lett., 27, 2017
|
|
3BXH
| |
6CI0
| Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with E101A (II) mutation | Descriptor: | (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ... | Authors: | Liu, J, Hiser, C, Ferguson-Miller, S. | Deposit date: | 2018-02-23 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The K-path entrance in cytochrome c oxidase is defined by mutation of E101 and controlled by an adjacent ligand binding domain. Biochim. Biophys. Acta, 1859, 2018
|
|
3BXF
| Crystal structure of effector binding domain of central glycolytic gene regulator (CggR) from Bacillus subtilis in complex with effector fructose-1,6-bisphosphate | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, 1,6-di-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, ... | Authors: | Rezacova, P, Otwinowski, Z. | Deposit date: | 2008-01-13 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of the effector-binding domain of repressor Central glycolytic gene Regulator from Bacillus subtilis reveal ligand-induced structural changes upon binding of several glycolytic intermediates. Mol.Microbiol., 69, 2008
|
|
6GQ9
| |
3BXG
| |
2OYA
| Crystal structure analysis of the dimeric form of the SRCR domain of mouse MARCO | Descriptor: | Macrophage receptor MARCO, SULFATE ION | Authors: | Ojala, J.R.M, Pikkarainen, T, Tuuttila, A, Sandalova, T, Tryggvason, K. | Deposit date: | 2007-02-21 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of the cysteine-rich domain of scavenger receptor MARCO reveals the presence of a basic and an acidic cluster that both contribute to ligand recognition. J.Biol.Chem., 282, 2007
|
|
1IXP
| Enzyme-phosphate Complex of Pyridoxine 5'-Phosphate synthase | Descriptor: | PHOSPHATE ION, Pyridoxine 5'-Phosphate synthase | Authors: | Garrido-Franco, M, Laber, B, Huber, R, Clausen, T. | Deposit date: | 2002-06-28 | Release date: | 2003-02-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis J.MOL.BIOL., 321, 2002
|
|
4DRF
| Crystal Structure of Bacterial Pnkp-C/Hen1-N Heterodimer | Descriptor: | GLYCEROL, Metallophosphoesterase, Methyltransferase type 12 | Authors: | Huang, R.H, Wang, P. | Deposit date: | 2012-02-17 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis of bacterial protein Hen1 activating the ligase activity of bacterial protein Pnkp for RNA repair. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
1CUO
| CRYSTAL STRUCTURE ANALYSIS OF ISOMER-2 AZURIN FROM METHYLOMONAS J | Descriptor: | COPPER (II) ION, PROTEIN (AZURIN ISO-2) | Authors: | Inoue, T, Nishio, N, Kai, Y, Suzuki, S, Kataoka, K. | Deposit date: | 1999-08-21 | Release date: | 2000-08-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The significance of the flexible loop in the azurin (Az-iso2) from the obligate methylotroph Methylomonas sp. strain J. J.Mol.Biol., 333, 2003
|
|