6MMU
 
 | | Triheteromeric NMDA receptor GluN1/GluN2A/GluN2A* in the '2-Knuckle-Asymmetric' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E. | | Deposit date: | 2018-10-01 | | Release date: | 2018-11-28 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.3 Å) | | Cite: | Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
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3D6M
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3CFM
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4XGJ
 | | Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, APO structure, domain swapped dimer | | Descriptor: | Uncharacterized protein | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-12-30 | | Release date: | 2015-02-18 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4XFM
 | | Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer | | Descriptor: | THREONATE ION, Uncharacterized protein | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-12-27 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3CMF
 | | Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and CORTISONE. Resolution 1.90 A. | | Descriptor: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | | Deposit date: | 2008-03-21 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
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3CNK
 | | Crystal Structure of the dimerization domain of human filamin A | | Descriptor: | Filamin-A, SULFATE ION | | Authors: | Lee, B.J, Seo, M.D, Seok, S.H, Lee, S.J, Kwon, A.R, Im, H. | | Deposit date: | 2008-03-26 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the dimerization domain of human filamin A
Proteins, 75, 2008
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3CNQ
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6G2V
 | | Crystal structure of the p97 D2 domain in a helical split-washer conformation | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
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6J29
 | | The structure of HLA-A*3003/MTB | | Descriptor: | Beta-2-microglobulin, HLA-A*3003, MTB | | Authors: | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J. | | Deposit date: | 2018-12-31 | | Release date: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
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3CJK
 | | Crystal structure of the adduct HAH1-Cd(II)-MNK1. | | Descriptor: | CADMIUM ION, Copper transport protein ATOX1, Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Calderone, V, Felli, I, Della-Malva, N, Pavelkova, A, Rosato, A. | | Deposit date: | 2008-03-13 | | Release date: | 2008-12-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Copper(I)-mediated protein-protein interactions result from suboptimal interaction surfaces.
Biochem.J., 422, 2009
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3CP9
 | | Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | | Descriptor: | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2008-03-31 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
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7Q5G
 | | LAN-DAP5 DERIVATIVE OF LANREOTIDE: L-DIAMINO PROPIONIC ACID IN POSITION 5 IN PLACE OF L-LYSINE | | Descriptor: | ETHANOL, LAN-DAP5 DERIVATIVE OF LANREOTIDE | | Authors: | Bressanelli, S, Le Du, M.H, Gobeaux, F, Legrand, P, Paternostre, M. | | Deposit date: | 2021-11-03 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.83 Å) | | Cite: | Atomic structure of Lanreotide nanotubes revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4XRY
 | | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Johnson, E.F, Fan, Y. | | Deposit date: | 2015-01-21 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
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7W9S
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3CWE
 | | PTP1B in complex with a phosphonic acid inhibitor | | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1, [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | | Authors: | Scapin, G, Han, Y, Kennedy, B.P. | | Deposit date: | 2008-04-21 | | Release date: | 2008-06-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
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3CXB
 | | Crystal Structure of sifa and skip | | Descriptor: | Pleckstrin homology domain-containing family M member 2, Protein sifA | | Authors: | Huang, Z, Chai, J. | | Deposit date: | 2008-04-24 | | Release date: | 2008-12-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and function of Salmonella SifA indicate that its interactions with SKIP, SseJ, and RhoA family GTPases induce endosomal tubulation
Cell Host Microbe, 4, 2008
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3CWD
 | | Molecular recognition of nitro-fatty acids by PPAR gamma | | Descriptor: | (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid, (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid, Peroxisome proliferator-activated receptor gamma, ... | | Authors: | Martynowski, D, Li, Y. | | Deposit date: | 2008-04-21 | | Release date: | 2008-07-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular recognition of nitrated fatty acids by PPAR gamma.
Nat.Struct.Mol.Biol., 15, 2008
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6FY4
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3CX2
 | | Crystal structure of the C1 domain of cardiac isoform of myosin binding protein-C at 1.3A | | Descriptor: | Myosin-binding protein C, cardiac-type | | Authors: | Fisher, S.J, Helliwell, J.R, Khurshid, S, Govada, L, Redwood, C, Squire, J.M, Chayen, N.E. | | Deposit date: | 2008-04-23 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | An investigation into the protonation states of the C1 domain of cardiac myosin-binding protein C
Acta Crystallogr.,Sect.D, 64, 2008
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5ITP
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3D05
 | | Human p53 core domain with hot spot mutation R249S (II) | | Descriptor: | Cellular tumor antigen p53, ZINC ION | | Authors: | Suad, O, Rozenberg, H, Shimon, L.J.W, Frolow, F, Shakked, Z. | | Deposit date: | 2008-05-01 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations
J.Mol.Biol., 385, 2009
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6G2Y
 | | Crystal structure of the p97 D2 domain in a helical split-washer conformation | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.153 Å) | | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
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7VYZ
 | | Structure of the M. tuberculosis HtrA S367A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-15 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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5J1A
 | | Antigen presenting molecule | | Descriptor: | 3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol, Beta-2-microglobulin, T-cell surface glycoprotein CD1a | | Authors: | Yongqing, T, Rossjohn, J, Le Nours, J, Marquez, E, Winau, F. | | Deposit date: | 2016-03-29 | | Release date: | 2016-08-03 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | CD1a on Langerhans cells controls inflammatory skin disease.
Nat. Immunol., 17, 2016
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