7LAW
 
 | | crystal structure of GITR complex with GITR-L | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18 | | Authors: | Longenecker, K.L, Rogers, B, Bigelow, L, Judge, R.A, Alvarez, H. | | Deposit date: | 2021-01-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.752 Å) | | Cite: | An anti-PD-1-GITR-L bispecific agonist induces GITR clustering-mediated T cell activation for cancer immunotherapy.
Nat Cancer, 3, 2022
|
|
7AOS
 | | crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator | | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, GLYCEROL, ... | | Authors: | le Maire, A, Guee, L, Bourguet, W. | | Deposit date: | 2020-10-15 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
|
|
7APO
 | | Crystal structure of RARalpha ligand binding domain in complex with a fragment of the TIF2 coactivator | | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, GLYCEROL, Nuclear receptor coactivator 2, ... | | Authors: | le Maire, A, Guee, L, Bourguet, W. | | Deposit date: | 2020-10-19 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
|
|
5INF
 | | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | | Descriptor: | Carboxyl transferase, HEXANOYL-COENZYME A | | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Osada, H, Tsai, S.C, Challis, G.L. | | Deposit date: | 2016-03-07 | | Release date: | 2016-12-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.751 Å) | | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
|
|
2UUQ
 | |
3PXY
 | | CDK2 in complex with inhibitor JWS648 | | Descriptor: | 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, Cell division protein kinase 2, PHOSPHATE ION | | Authors: | Han, H, Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
|
|
3PY5
 | |
2B1Z
 | | Human estrogen receptor alpha ligand-binding domain in complex with 17methyl-17alpha-dihydroequilenin and a glucoc interacting protein 1 NR box II peptide | | Descriptor: | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | | Deposit date: | 2005-09-16 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Molecular characterization of a B-ring unsaturated estrogen: implications for conjugated equine estrogen components of premarin.
Steroids, 73, 2008
|
|
3RTF
 | |
4A2Z
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | | Descriptor: | 4-METHOXY-2,3,6-TRIMETHYL-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G. | | Deposit date: | 2011-09-29 | | Release date: | 2011-12-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
|
|
4QS8
 | |
2PQC
 | | CP4 EPSPS liganded with (R)-phosphonate tetrahedral reaction intermediate analog | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID | | Authors: | Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E. | | Deposit date: | 2007-05-01 | | Release date: | 2008-03-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
|
|
2PQB
 | | CP4 EPSPS liganded with (R)-difluoromethyl tetrahedral intermediate analog | | Descriptor: | (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase | | Authors: | Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E. | | Deposit date: | 2007-05-01 | | Release date: | 2008-03-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
|
|
4Q9R
 | | Crystal structure of an RNA aptamer bound to trifluoroethyl-ligand analog in complex with Fab | | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, Fab BL3-6, HEAVY CHAIN, ... | | Authors: | Huang, H, Suslov, N.B, Li, N.-S, Shelke, S.A, Evans, M.E, Koldobskaya, Y, Rice, P.A, Piccirilli, J.A. | | Deposit date: | 2014-05-01 | | Release date: | 2014-06-18 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | A G-quadruplex-containing RNA activates fluorescence in a GFP-like fluorophore.
Nat.Chem.Biol., 10, 2014
|
|
4QFS
 | | Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor | | Descriptor: | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Calabrese, M.F, Kurumbail, R.G. | | Deposit date: | 2014-05-21 | | Release date: | 2014-08-06 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
|
|
3HLC
 | | Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded | | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
|
|
2QO1
 | | 2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH. | | Descriptor: | 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
|
|
2PQD
 | | A100G CP4 EPSPS liganded with (R)-difluoromethyl tetrahedral reaction intermediate analog | | Descriptor: | (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase | | Authors: | Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E. | | Deposit date: | 2007-05-01 | | Release date: | 2008-03-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
|
|
1DRM
 | | CRYSTAL STRUCTURE OF THE LIGAND FREE BJFIXL HEME DOMAIN | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SENSOR PROTEIN FIXL | | Authors: | Gong, W, Hao, B, Mansy, S.S, Gonzalez, G, Gilles-Gonzalez, M.A, Chan, M.K. | | Deposit date: | 2000-01-06 | | Release date: | 2000-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a biological oxygen sensor: a new mechanism for heme-driven signal transduction.
Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
3TK8
 | | Structure of a 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Burkholderia pseudomallei | | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase, SULFATE ION, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2011-08-25 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of a 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Burkholderia pseudomallei
TO BE PUBLISHED
|
|
4NQA
 | | Crystal structure of liganded hRXR-alpha/hLXR-beta heterodimer on DNA | | Descriptor: | (9cis)-retinoic acid, 5'-D(*TP*AP*AP*GP*GP*TP*CP*AP*CP*TP*TP*CP*AP*GP*GP*TP*CP*A)-3', 5'-D(*TP*AP*TP*GP*AP*CP*CP*TP*GP*AP*AP*GP*TP*GP*AP*CP*CP*T)-3', ... | | Authors: | Lou, X.H, Toresson, G, Benod, C, Suh, J.H, Phillips, K.J, Webb, P, Gustafsson, J.A. | | Deposit date: | 2013-11-24 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Structure of the retinoid X receptor alpha-liver X receptor beta (RXR alpha-LXR beta ) heterodimer on DNA.
Nat.Struct.Mol.Biol., 21, 2014
|
|
3ONZ
 | | Human tetrameric hemoglobin: proximal nitrite ligand at beta | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | | Authors: | Yi, J, Thormas, L.M, Safo, M.K, Musayev, F.N, Richter-Addo, G.B. | | Deposit date: | 2010-08-30 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.087 Å) | | Cite: | Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
|
|
2XU1
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | Descriptor: | (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1 | | Authors: | Banner, D.W, Benz, J.M, Steinbacher, S, Haap, W. | | Deposit date: | 2010-10-14 | | Release date: | 2011-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 50, 2011
|
|
1ZZN
 | |
2D9Q
 | | Crystal Structure of the Human GCSF-Receptor Signaling Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CSF3, Granulocyte colony-stimulating factor receptor | | Authors: | Tamada, T, Kuroki, R. | | Deposit date: | 2005-12-12 | | Release date: | 2006-02-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Homodimeric cross-over structure of the human granulocyte colony-stimulating factor (GCSF) receptor signaling complex
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
