4UM3
 
 | | Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 | | Descriptor: | 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ... | | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | | Deposit date: | 2014-05-14 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
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4UM1
 | | Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573 | | Descriptor: | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN | | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | | Deposit date: | 2014-05-14 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
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8TFY
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1B4T
 | | H48C YEAST CU(II)/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE | | Descriptor: | CHLORIDE ION, COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ... | | Authors: | Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D. | | Deposit date: | 1998-12-23 | | Release date: | 1999-12-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
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2FZD
 | | Human aldose reductase complexed with tolrestat at 1.08 A resolution. | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | Deposit date: | 2006-02-09 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
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7PIU
 | | Cryo-EM structure of the agonist setmelanotide bound to the active melanocortin-4 receptor (MC4R) in complex with the heterotrimeric Gs protein at 2.6 A resolution. | | Descriptor: | CALCIUM ION, Camelid antibody fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P. | | Deposit date: | 2021-08-23 | | Release date: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide.
Cell Res., 31, 2021
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7PIV
 | | Active Melanocortin-4 receptor (MC4R)- Gs protein complex bound to agonist NDP-alpha-MSH at 2.86 A resolution. | | Descriptor: | CALCIUM ION, Camelid antibody VHH fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P. | | Deposit date: | 2021-08-23 | | Release date: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide.
Cell Res., 31, 2021
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5GEP
 | | SULFITE REDUCTASE HEMOPROTEIN CARBON MONOXIDE COMPLEX REDUCED WITH CRII EDTA | | Descriptor: | CARBON MONOXIDE, IRON/SULFUR CLUSTER, POTASSIUM ION, ... | | Authors: | Crane, B.R, Getzoff, E.D. | | Deposit date: | 1997-07-10 | | Release date: | 1998-01-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products.
Biochemistry, 36, 1997
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2WD9
 | | CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH IBUPROFEN | | Descriptor: | ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, IBUPROFEN, ... | | Authors: | Yue, W.W, Kochan, G.T, Pilka, E.S, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | | Deposit date: | 2009-03-21 | | Release date: | 2009-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A.
J.Mol.Biol., 388, 2009
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6JBE
 | | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein W287A in complex with glucose | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | | Deposit date: | 2019-01-25 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
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2ANZ
 | | cytochrome c peroxidase in complex with 2,6-diaminopyridine | | Descriptor: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | | Deposit date: | 2005-08-11 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
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6JBA
 | | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein W287A in complex with palatinose | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | | Deposit date: | 2019-01-25 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
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5HK1
 | | Human sigma-1 receptor bound to PD144418 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole, SULFATE ION, ... | | Authors: | Schmidt, H.R, Zheng, S, Gurpinar, E, Koehl, A, Manglik, A, Kruse, A.C. | | Deposit date: | 2016-01-13 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5051 Å) | | Cite: | Crystal structure of the human sigma 1 receptor.
Nature, 532, 2016
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2NNI
 | | CYP2C8dH complexed with montelukast | | Descriptor: | Cytochrome P450 2C8, MONTELUKAST, PALMITIC ACID, ... | | Authors: | Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F. | | Deposit date: | 2006-10-24 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J.Biol.Chem., 283, 2008
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1TWQ
 | | Crystal structure of the C-terminal PGN-binding domain of human PGRP-Ialpha in complex with PGN analog muramyl tripeptide | | Descriptor: | N-acetyl-beta-muramic acid, NICKEL (II) ION, muramyl tripeptide, ... | | Authors: | Guan, R, Roychowdury, A, Boons, G.-A, Mariuzza, R.A. | | Deposit date: | 2004-07-01 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for peptidoglycan binding by peptidoglycan recognition proteins
Proc.Natl.Acad.Sci.USA, 101, 2004
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1TXR
 | | X-ray crystal structure of bestatin bound to AAP | | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Bacterial leucyl aminopeptidase, ZINC ION | | Authors: | Stamper, C.C, Holz, R.C, Ringe, D, Petsko, G.A. | | Deposit date: | 2004-07-06 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Spectroscopic and X-ray Crystallographic Characterization of Bestatin Bound to the Aminopeptidase from Aeromonas (Vibrio) proteolytica.
Biochemistry, 43, 2004
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4ERF
 | | crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553) | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid | | Authors: | Huang, X. | | Deposit date: | 2012-04-20 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
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4EM9
 | | Human PPAR gamma in complex with nonanoic acids | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | Authors: | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | | Deposit date: | 2012-04-11 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
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4EQ2
 | | Crystal Structure Analysis of Chicken Interferon Gamma Receptor Alpha Chain | | Descriptor: | Interferon gamma receptor 1 | | Authors: | Ping, Z, Qi, J, Lu, G, Shi, Y, Wang, X, Gao, G.F, Wang, M. | | Deposit date: | 2012-04-18 | | Release date: | 2013-04-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Crystal structure of the interferon gamma receptor alpha chain from chicken reveals an undetected extra helix compared with the human counterparts.
J.Interferon Cytokine Res., 34, 2014
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5VO0
 | | Structure of a TRAF6-Ubc13~Ub complex | | Descriptor: | POTASSIUM ION, TNF receptor-associated factor 6, Ubiquitin, ... | | Authors: | Middleton, A.J, Day, C.L. | | Deposit date: | 2017-05-01 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | The activity of TRAF RING homo- and heterodimers is regulated by zinc finger 1.
Nat Commun, 8, 2017
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5W1E
 | | PobR in complex with PHB | | Descriptor: | GLYCEROL, P-HYDROXYBENZOIC ACID, Putative transcriptional regulator, ... | | Authors: | Page, R, Peti, W, Lord, D.M, Bajaj, R, Zhang, R. | | Deposit date: | 2017-06-02 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A peculiar IclR family transcription factor regulates para-hydroxybenzoate catabolism in Streptomyces coelicolor.
Nucleic Acids Res., 46, 2018
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4E54
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5VNZ
 | | Structure of a TRAF6-Ubc13~Ub complex | | Descriptor: | TNF receptor-associated factor 6, Ubiquitin, Ubiquitin-conjugating enzyme E2 N, ... | | Authors: | Middleton, A.J, Day, C.L. | | Deposit date: | 2017-05-01 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | The activity of TRAF RING homo- and heterodimers is regulated by zinc finger 1.
Nat Commun, 8, 2017
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8AW2
 | | Mouse serotonin 5-HT3A receptor in complex with vortioxetine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | | Authors: | Lopez-Sanchez, U, Nury, H. | | Deposit date: | 2022-08-29 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 2024
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8BYA
 | | Cryo-EM structure of SKP1-SKP2-CKS1-CDK2-CyclinA-p27KIP1 Complex | | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ... | | Authors: | Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E. | | Deposit date: | 2022-12-12 | | Release date: | 2023-06-28 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
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