PDB: 93656 resultsInfo pagesStatus searchChemie searchBIRD

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3NAL	SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative DTB Descriptor: (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate, MAGNESIUM ION, POTASSIUM ION, ... Authors: Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. Deposit date: 2010-06-02 Release date: 2010-06-30 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
3NAM	SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative dOTg Descriptor: (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... Authors: Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. Deposit date: 2010-06-02 Release date: 2010-06-30 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
8DPX	Preligand association structure of DR5 Descriptor: Tumor necrosis factor receptor superfamily member 10B Authors: Du, G, Zhao, L, Chou, J.J. Deposit date: 2022-07-17 Release date: 2023-02-15 Method: SOLUTION NMR Cite: Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation. Cell Res., 33, 2023
7JGJ	IgA1 Protease in complex with neutralizing mAb Descriptor: Immunoglobulin A1 protease, mAB Heavy Chain, mAB Light Chain Authors: Eisenmesser, E.Z, Zheng, H. Deposit date: 2020-07-19 Release date: 2020-12-09 Last modified: 2024-10-30 Method: ELECTRON MICROSCOPY (4.8 Å) Cite: Mechanism and inhibition of Streptococcus pneumoniae IgA1 protease Nat Commun, 11, 2020
5MJ6	Ligand-induced conformational change of Insulin-regulated aminopeptidase: insights on catalytic mechanism and active site plasticity. Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... Authors: Mpakali, A, Stratikos, E, Saridakis, E, Giastas, P. Deposit date: 2016-11-30 Release date: 2017-04-05 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.53 Å) Cite: Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity. J. Med. Chem., 60, 2017
7L6Q	Unliganded ELIC in styrene-maleic-acid nanodiscs at 2.5-Angstrom resolution Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CARDIOLIPIN, Gamma-aminobutyric-acid receptor subunit beta-1 Authors: Grosman, C, Kumar, P. Deposit date: 2020-12-23 Release date: 2021-06-23 Last modified: 2024-03-06 Method: ELECTRON MICROSCOPY (2.5 Å) Cite: Structure and function at the lipid-protein interface of a pentameric ligand-gated ion channel. Proc.Natl.Acad.Sci.USA, 118, 2021
7L6U	Unliganded ELIC in POPC-only nanodiscs at 3.3-Angstrom resolution Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1 Authors: Kumar, P, Grosman, C. Deposit date: 2020-12-23 Release date: 2021-06-23 Last modified: 2024-03-06 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Structure and function at the lipid-protein interface of a pentameric ligand-gated ion channel. Proc.Natl.Acad.Sci.USA, 118, 2021
7JQG	Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with GW1929 Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma Authors: Shang, J, Kojetin, D.J. Deposit date: 2020-08-10 Release date: 2021-03-03 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021
2Y2Z	ligand-free form of TetR-like repressor SimR Descriptor: PUTATIVE REPRESSOR SIMREG2 Authors: Le, T.B.K, Stevenson, C.E.M, Fiedler, H.-P, Maxwell, A, Lawson, D.M, Buttner, M.J. Deposit date: 2010-12-17 Release date: 2011-03-09 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structures of the Tetr-Like Simocyclinone Efflux Pump Repressor, Simr, and the Mechanism of Ligand-Mediated Derepression. J.Mol.Biol., 408, 2011
6QJF	Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 1 Descriptor: Disks large homolog 4 Authors: Camara-Artigas, A. Deposit date: 2019-01-24 Release date: 2019-04-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95. Acta Crystallogr D Struct Biol, 75, 2019
6QJL	Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P21 Descriptor: Disks large homolog 4, GLYCEROL, SULFATE ION Authors: Camara-Artigas, A. Deposit date: 2019-01-24 Release date: 2019-04-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.043 Å) Cite: Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95. Acta Crystallogr D Struct Biol, 75, 2019
6QJG	Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 2 Descriptor: Disks large homolog 4 Authors: Camara-Artigas, A. Deposit date: 2019-01-24 Release date: 2019-04-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.003 Å) Cite: Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95. Acta Crystallogr D Struct Biol, 75, 2019
6QJK	Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P43 Descriptor: Disks large homolog 4, GLYCEROL, SULFATE ION Authors: Camara-Artigas, A. Deposit date: 2019-01-24 Release date: 2019-04-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.046 Å) Cite: Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95. Acta Crystallogr D Struct Biol, 75, 2019
6V0B	Unliganded ELIC in POPC-only nanodiscs. Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1 Authors: Grosman, C, Kumar, P. Deposit date: 2019-11-18 Release date: 2020-01-15 Last modified: 2024-03-06 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer. Proc.Natl.Acad.Sci.USA, 117, 2020
1VRK	THE 1.9 ANGSTROM STRUCTURE OF E84K-CALMODULIN RS20 PEPTIDE COMPLEX Descriptor: ACETATE ION, CALCIUM ION, CALMODULIN, ... Authors: Weigand, S, Anderson, W.F. Deposit date: 1997-09-24 Release date: 1999-04-27 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Analysis of the functional coupling between calmodulin's calcium binding and peptide recognition properties. Biochemistry, 38, 1999
3NGP	High resolution structure of alpha-spectrin SH3 domain mutant with a redesigned core Descriptor: Spectrin alpha chain, brain Authors: Camara-Artigas, A, Gavira, J.A, Martin-Garcia, J.M. Deposit date: 2010-06-12 Release date: 2010-09-08 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.084 Å) Cite: High-resolution structure of an alpha-spectrin SH3-domain mutant with a redesigned hydrophobic core. Acta Crystallogr.,Sect.F, 66, 2010
2LBD	LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO ALL-TRANS RETINOIC ACID Descriptor: RETINOIC ACID, RETINOIC ACID RECEPTOR GAMMA Authors: Renaud, J.-P, Rochel, N, Ruff, M, Moras, D, Structural Proteomics in Europe (SPINE) Deposit date: 1997-08-19 Release date: 1997-11-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Crystal structure of the RAR-gamma ligand-binding domain bound to all-trans retinoic acid. Nature, 378, 1995
6GCV	Ligand binding domain (LBD) of the p. aeruginosa nitrate receptor McpN Descriptor: ACETATE ION, Chemotaxis transducer, NITRATE ION, ... Authors: Gavira, J.A, Krell, T, Martin-Mora, D, Ortega, A. Deposit date: 2018-04-19 Release date: 2018-09-19 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: The Molecular Mechanism of Nitrate Chemotaxis via Direct Ligand Binding to the PilJ Domain of McpN. MBio, 10, 2019
1MKW	THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING Descriptor: ALPHA-THROMBIN, PRETHROMBIN-2 Authors: Malkowski, M.G, Edwards, B.F.P. Deposit date: 1997-03-13 Release date: 1997-07-07 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding. Protein Sci., 6, 1997
1MKX	THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING Descriptor: ALPHA-THROMBIN, PRETHROMBIN-2 Authors: Malkowski, M.G, Edwards, B.F.P. Deposit date: 1997-03-13 Release date: 1997-07-07 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding. Protein Sci., 6, 1997
4UA9	CTX-M-14 Class A Beta-Lactamase in Complex with a Boronic Acid Acylation Transition State Analog at Sub-Angstrom Resolution Descriptor: Beta-lactamase CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE Authors: Nichols, D.A, Chen, Y. Deposit date: 2014-08-08 Release date: 2015-06-24 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (0.84 Å) Cite: Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography. J.Am.Chem.Soc., 137, 2015
4UA7	CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION Authors: Nichols, D.A, Chen, Y. Deposit date: 2014-08-08 Release date: 2015-06-24 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (0.89 Å) Cite: Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography. J.Am.Chem.Soc., 137, 2015
4UAA	CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION Authors: Nichols, D.A, Chen, Y. Deposit date: 2014-08-08 Release date: 2015-06-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (0.86 Å) Cite: Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography. J.Am.Chem.Soc., 137, 2015
4UA6	CTX-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution Descriptor: Beta-lactamase CTX-M-14, PHOSPHATE ION, POTASSIUM ION Authors: Nichols, D.A, Chen, Y. Deposit date: 2014-08-08 Release date: 2015-06-24 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (0.79 Å) Cite: Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography. J.Am.Chem.Soc., 137, 2015
6JDY	Ligand complex structure of GH10 family xylanase XynAF1, soaking for 120 minutes Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ... Authors: Li, G, Miao, Y, Zhang, R. Deposit date: 2019-02-02 Release date: 2020-05-20 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5 To Be Published

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