1XP6
 
 | | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16 | | Descriptor: | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor | | Authors: | Fitzgerald, P.M.D, Sharma, N. | | Deposit date: | 2004-10-08 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
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6MNI
 | | Structure of the tandem CACHE domain of PscC | | Descriptor: | CHLORIDE ION, GLYCEROL, Methyl-accepting chemotaxis protein, ... | | Authors: | Johnston, J.M, Gerth, M.L, Ehrhardt, M.K.G. | | Deposit date: | 2018-10-01 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Structure of a double CACHE chemoreceptor ligand-binding domain from Pseudomonas syringae provides insights into the basis of proline recognition.
Biochem.Biophys.Res.Commun., 549, 2021
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5BVS
 | | Linoleate-bound pFABP4 | | Descriptor: | Fatty acid-binding protein, LINOLEIC ACID | | Authors: | Lee, J.H, Lee, C.W, Do, H. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Last modified: | 2015-09-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin
Biochem.Biophys.Res.Commun., 465, 2015
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3DYE
 | | Crystal structure of AED7-norepineprhine complex | | Descriptor: | BROMIDE ION, D7 protein, GLYCEROL, ... | | Authors: | Andersen, J.F, Calvo, E, Mans, B.J, Ribeiro, J.M. | | Deposit date: | 2008-07-27 | | Release date: | 2009-02-03 | | Last modified: | 2021-03-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Proc.Natl.Acad.Sci.USA, 106, 2009
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3EM2
 | | A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6038 | | Descriptor: | 3,6-Bis[(3-morpholinopropionamido)] acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION | | Authors: | Campbell, N.H, Parkinson, G, Neidle, S. | | Deposit date: | 2008-09-23 | | Release date: | 2008-10-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
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6VRH
 | | Cryo-EM structure of the wild-type human serotonin transporter complexed with paroxetine and 8B6 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | | Authors: | Coleman, J.A, Navratna, V, Yang, D. | | Deposit date: | 2020-02-07 | | Release date: | 2020-03-11 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
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1P9B
 | | Structure of fully ligated Adenylosuccinate synthetase from Plasmodium falciparum | | Descriptor: | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE, Adenylosuccinate Synthetase, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Eaazhisai, K, Jayalakshmi, R, Gayathri, P, Anand, R.P, Sumathy, K, Balaram, H, Murthy, M.R. | | Deposit date: | 2003-05-10 | | Release date: | 2004-02-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Fully Ligated Adenylosuccinate Synthetase from Plasmodium falciparum.
J.Mol.Biol., 335, 2004
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6VRL
 | | Cryo-EM structure of the wild-type human serotonin transporter complexed with I-paroxetine and 8B6 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | | Authors: | Coleman, J.A, Navratna, V, Yang, D. | | Deposit date: | 2020-02-07 | | Release date: | 2020-03-11 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
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4RTT
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8IOD
 | | Cryo-EM structure of the PG-901-bound human melanocortin receptor 5 (MC5R)-Gs complex | | Descriptor: | CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,HiBiT, ... | | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W. | | Deposit date: | 2023-03-10 | | Release date: | 2023-09-20 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors.
Cell Discov, 9, 2023
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7ZPB
 | | Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | | Deposit date: | 2022-04-27 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
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2L28
 | | Solution structure of lactobacillus casei dihydrofolate reductase apo-form, 25 conformers | | Descriptor: | Dihydrofolate reductase | | Authors: | Polshakov, V.I, Birdsall, B, Feeney, J. | | Deposit date: | 2010-08-13 | | Release date: | 2011-04-06 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR Structures of Apo L. casei Dihydrofolate Reductase and Its Complexes with Trimethoprim and NADPH: Contributions to Positive Cooperative Binding from Ligand-Induced Refolding, Conformational Changes, and Interligand Hydrophobic Interactions.
Biochemistry, 50, 2011
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7ZW3
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6W02
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in the complex with ADP ribose | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-28 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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7ZIV
 | | X-ray structure of the haloalkane dehalogenase dead variant HaloTag7-D106A bound to a chloroalkane tetramethylrhodamine fluorophore ligand (CA-TMR) | | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | | Authors: | Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J. | | Deposit date: | 2022-04-08 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-ray structure of the haloalkane dehalogenase dead variant HaloTag7-D106A bound to a chloroalkane tetramethylrhodamine fluorophore ligand (CA-TMR)
To Be Published
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6W2C
 | | Anomalous iodine signal reveals the position of I-paroxetine complexed with the serotonin transporter at the central site | | Descriptor: | 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, I-paroxetine, ... | | Authors: | Coleman, J.A, Navratna, V, Yang, D. | | Deposit date: | 2020-03-05 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (6.3 Å) | | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
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1YZ5
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6VXS
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Non-structural protein 3, ... | | Authors: | Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-24 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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6JPM
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6W03
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1PK5
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7ZU6
 | | Polyoxidovanadate interaction with proteins: crystal structure of lysozyme bound to tetra-vanadate ion (structure 1) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYCLO-TETRAMETAVANADATE, Lysozyme, ... | | Authors: | Tito, G, Merlino, A, Ferraro, G. | | Deposit date: | 2022-05-11 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.183 Å) | | Cite: | Stabilization and Binding of [V 4 O 12 ] 4- and Unprecedented [V 20 O 54 (NO 3 )] n- to Lysozyme upon Loss of Ligands and Oxidation of the Potential Drug V IV O(acetylacetonato) 2.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7CQL
 | | Apo GmaS without ligand | | Descriptor: | Type III glutamate--ammonia ligase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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8JE2
 | | Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN | | Descriptor: | Cullin-2, Elongin-B, Elongin-C, ... | | Authors: | Dai, Z, Liang, L, Yin, Y.X. | | Deposit date: | 2023-05-15 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
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5VVH
 | | Crystal Structure of the Effector Binding Domain of LysR-type Transcriptional Regulator, OccR from Agrobacterium tumefaciens | | Descriptor: | FORMIC ACID, Octopine catabolism/uptake operon regulatory protein OccR, SULFATE ION | | Authors: | Kim, Y, Chhor, G, Jedrzejczak, R, Winans, S.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-05-19 | | Release date: | 2017-06-21 | | Last modified: | 2018-09-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Ligand-Binding Domain of a LysR-type Transcriptional Regulator: Transcriptional Activation via a Rotary Switch.
Mol. Microbiol., 2018
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