3TFB
 
 | | Transthyretin natural mutant A25T | | Descriptor: | Transthyretin | | Authors: | Azevedo, E.P.C, Pereira, H.M, Garratt, R.C, Kelly, J.W, Foguel, D, Palhano, F.L. | | Deposit date: | 2011-08-15 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.033 Å) | | Cite: | Dissecting the Structure, Thermodynamic Stability, and Aggregation Properties of the A25T Transthyretin (A25T-TTR) Variant Involved in Leptomeningeal Amyloidosis: Identifying Protein Partners That Co-Aggregate during A25T-TTR Fibrillogenesis in Cerebrospinal Fluid.
Biochemistry, 50, 2011
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5IOV
 | | Cryo-EM structure of GluN1/GluN2B NMDA receptor in the glutamate/glycine/Ro25-6981-bound conformation | | Descriptor: | 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, GLUTAMIC ACID, GLYCINE, ... | | Authors: | Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E. | | Deposit date: | 2016-03-09 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
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5IPV
 | | Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 1 | | Descriptor: | Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a | | Authors: | Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, McHaourab, S.H, Gouaux, E. | | Deposit date: | 2016-03-10 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (9.25 Å) | | Cite: | Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
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2BDM
 | | Structure of Cytochrome P450 2B4 with Bound Bifonazole | | Descriptor: | 1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | | Authors: | Zhao, Y, White, M.A, Muralidhara, B.K, Sun, L, Halpert, J.R, Stout, C.D. | | Deposit date: | 2005-10-20 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of microsomal cytochrome P450 2B4 complexed with the antifungal drug bifonazole: insight into P450 conformational plasticity and membrane interaction.
J.Biol.Chem., 281, 2006
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8W06
 | | Crystal Structure of the reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood with PGH | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACETIC ACID, ... | | Authors: | Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A. | | Deposit date: | 2024-02-13 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
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7YFF
 | | Structure of GluN1a-GluN2D NMDA receptor in complex with agonist glycine and competitive antagonist CPP. | | Descriptor: | (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, J.L, Zhu, S.J, Zhang, M. | | Deposit date: | 2022-07-08 | | Release date: | 2023-04-12 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
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7YFL
 | | Structure of GluN1a-GluN2D NMDA receptor in complex with agonists glycine and glutamate. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ... | | Authors: | Zhang, J.L, Zhu, S.J, Zhang, M. | | Deposit date: | 2022-07-08 | | Release date: | 2023-04-12 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
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7YFO
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7YFR
 | | Structure of GluN1a E698C-GluN2D NMDA receptor in cystines non-crosslinked state. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ... | | Authors: | Zhang, J.L, Zhu, S.J, Zhang, M. | | Deposit date: | 2022-07-09 | | Release date: | 2023-04-12 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (5.1 Å) | | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
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6SW5
 | | Crystal structure of the human S-adenosylmethionine synthetase 1 (ligand-free form) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, S-adenosylmethionine synthase isoform type-1 | | Authors: | Panmanee, J, Antoyuk, S.V, Hasnain, S.S. | | Deposit date: | 2019-09-19 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis of the dominant inheritance of hypermethioninemia associated with the Arg264His mutation in the MAT1A gene.
Acta Crystallogr D Struct Biol, 76, 2020
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3MEY
 | | Crystal structure of class II aaRS homologue (Bll0957) complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bll0957 protein, MAGNESIUM ION, ... | | Authors: | Weygand-Durasevic, I, Mocibob, M, Ivic, N, Bilokapic, S, Maier, T, Luic, M, Ban, N. | | Deposit date: | 2010-04-01 | | Release date: | 2010-07-28 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
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1Q4W
 | | CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | | Descriptor: | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE, Queuine tRNA-ribosyltransferase, ZINC ION | | Authors: | Brenk, R, Meyer, E, Reuter, K, Stubbs, M.T, Garcia, G.A, Klebe, G. | | Deposit date: | 2003-08-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening.
J.Mol.Biol., 338, 2004
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7LEW
 | | Crystal structure of UBE2G2 in complex with the UBE2G2-binding region of AUP1 | | Descriptor: | Lipid droplet-regulating VLDL assembly factor AUP1, Ubiquitin-conjugating enzyme E2 G2 | | Authors: | Liang, Y.-H, Smith, C.E, Tsai, Y.C, Weissman, A.M, Ji, X. | | Deposit date: | 2021-01-15 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.736 Å) | | Cite: | A structurally conserved site in AUP1 binds the E2 enzyme UBE2G2 and is essential for ER-associated degradation.
Plos Biol., 19, 2021
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4PBT
 | | Crystal structure of the M. jannaschii G2 tRNA synthetase variant bound to 4-trans-cyclooctene-amidopheylalanine (Tco-amF) | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 4-{[(1R,4E)-cyclooct-4-en-1-ylcarbonyl]amino}-L-phenylalanine, GLYCEROL, ... | | Authors: | Cooley, R.B, Karplus, P.A, Mehl, R.A. | | Deposit date: | 2014-04-13 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Gleaning Unexpected Fruits from Hard-Won Synthetases: Probing Principles of Permissivity in Non-canonical Amino Acid-tRNA Synthetases.
Chembiochem, 15, 2014
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6Q5G
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8AOW
 | | CryoEM structure of the Chikungunya virus nsP1 capping pores in complex with m7GTP and SAH ligands | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Jones, R, Hons, M, Reguera, J. | | Deposit date: | 2022-08-08 | | Release date: | 2023-03-29 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis and dynamics of Chikungunya alphavirus RNA capping by nsP1 capping pores.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4PBS
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1V9Q
 | | Crystal Structure of an Artificial Metalloprotein:Mn(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin | | Descriptor: | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE', MANGANESE (III) ION, Myoglobin, ... | | Authors: | Ueno, T, Koshiyama, T, Kono, M, Kondo, K, Ohashi, M, Suzuki, A, Yamane, T, Watanabe, Y. | | Deposit date: | 2004-01-29 | | Release date: | 2005-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Coordinated Design of Cofactor and Active Site Structures in Development of New Protein Catalysts
J.Am.Chem.Soc., 127, 2005
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6C8X
 | | Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | | Deposit date: | 2018-01-25 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.613 Å) | | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
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3QVN
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7FO8
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H06 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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1A78
 | | COMPLEX OF TOAD OVARY GALECTIN WITH THIO-DIGALACTOSE | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GALECTIN-1, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose | | Authors: | Amzel, L.M, Bianchet, M.A, Ahmed, H, Vasta, G.R. | | Deposit date: | 1998-03-20 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Soluble beta-galactosyl-binding lectin (galectin) from toad ovary: crystallographic studies of two protein-sugar complexes
Proteins, 40, 2000
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6C8Y
 | | D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | | Deposit date: | 2018-01-25 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.942 Å) | | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
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2Q70
 | | Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand | | Descriptor: | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor | | Authors: | Wang, Y. | | Deposit date: | 2007-06-05 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
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1REJ
 | | Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 1 | | Descriptor: | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-HYDROXYBENZOATE, cAMP-dependent protein kinase, alpha-catalytic subunit | | Authors: | Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S. | | Deposit date: | 2003-11-06 | | Release date: | 2004-02-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
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