7VH0
 
 | | MT2-remalteon-Gi complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, Melatonin receptor type 1B, ... | | Authors: | Wang, Q.G, Lu, Q.Y. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structural basis of the ligand binding and signaling mechanism of melatonin receptors.
Nat Commun, 13, 2022
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7VGY
 | | Melatonin receptor1-2-Iodomelatonin-Gicomplex | | Descriptor: | CHOLESTEROL, 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, ... | | Authors: | Wang, Q.G, Lu, Q.Y. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of the ligand binding and signaling mechanism of melatonin receptors.
Nat Commun, 13, 2022
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7VGZ
 | | MT1-remalteon-Gi complex | | Descriptor: | CHOLESTEROL, 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, ... | | Authors: | Wang, Q.G, Lu, Q.Y. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of the ligand binding and signaling mechanism of melatonin receptors.
Nat Commun, 13, 2022
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4U6R
 | | Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide, ... | | Authors: | Mohr, C. | | Deposit date: | 2014-07-29 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
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5HRV
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | | Descriptor: | 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | | Deposit date: | 2016-01-24 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
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8HOC
 | | Cryo-EM structure of ligand histamine-bound Histamine H4 receptor Gi complex | | Descriptor: | 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate, 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, ... | | Authors: | Tang, W.Q, Sun, X.Y, Li, F.H, Wang, J.Y. | | Deposit date: | 2022-12-09 | | Release date: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure insights into Histamine H4 receptor activation by an endogenous ligand histamine and agonist imetit
To Be Published
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8HN8
 | | Cryo-EM structure of ligand histamine-bound Histamine H4 receptor Gi complex | | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Tang, W.Q, Sun, X.Y, Li, F.H, Wang, J.Y. | | Deposit date: | 2022-12-07 | | Release date: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure insights into Histamine H4 receptor activation by an endogenous ligand histamine and agonist imetit
To Be Published
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4ZWB
 | | Crystal structure of maltose-bound human GLUT3 in the outward-occluded conformation at 2.4 angstrom | | Descriptor: | Solute carrier family 2, facilitated glucose transporter member 3, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Deng, D, Sun, P.C, Yan, C.Y, Yan, N. | | Deposit date: | 2015-05-19 | | Release date: | 2015-07-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
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5EN3
 | | Crystal structure of human transthyretin in complex with luteolin-Cl at 1.25 A resolution | | Descriptor: | 2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one, GLYCEROL, SODIUM ION, ... | | Authors: | Begum, A, Nilsson, L, Olofsson, A, Sauer-Eriksson, A.E. | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Modifications of the 7-Hydroxyl Group of the Transthyretin Ligand Luteolin Provide Mechanistic Insights into Its Binding Properties and High Plasma Specificity.
Plos One, 11, 2016
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4PUL
 | | tRNA-Guanine Transglycosylase (TGT) Mutant D102N in Complex with 6-Amino-2-(methylamino)-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Neeb, M, Heine, A, Klebe, G. | | Deposit date: | 2014-03-13 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.654 Å) | | Cite: | Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme.
J.Med.Chem., 57, 2014
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5IHH
 | | Crystal structure of human transthyretin in complex with luteolin-MeO at 1.35 A resolution | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-chromen-4-one, SODIUM ION, Transthyretin | | Authors: | Begum, A, Nilsson, L, Olofsson, A, Sauer-Eriksson, A.E. | | Deposit date: | 2016-02-29 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Modifications of the 7-Hydroxyl Group of the Transthyretin Ligand Luteolin Provide Mechanistic Insights into Its Binding Properties and High Plasma Specificity.
Plos One, 11, 2016
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5IJF
 | | Crystal structure of Human Serum Albumin in the presence of 0.5 mM zinc at pH 9.0 | | Descriptor: | Serum albumin, UNKNOWN LIGAND, ZINC ION | | Authors: | Handing, K.B, Shabalin, I.G, Cooper, D.R, Grabowski, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-03-02 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins.
Chem Sci, 7, 2016
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5O75
 | | Ube4B U-box domain | | Descriptor: | SULFATE ION, Ubiquitin conjugation factor E4 B | | Authors: | Gabrielsen, M, Buetow, L, Nakasone, M.A, Huang, D.T. | | Deposit date: | 2017-06-08 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.483 Å) | | Cite: | A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
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3OEA
 | | Crystal structure of the Q121E mutants of C.polysaccharolyticus CBM16-1 bound to cellopentaose | | Descriptor: | CALCIUM ION, S-layer associated multidomain endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Agarwal, V, Nair, S.K. | | Deposit date: | 2010-08-12 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Mutational insights into the roles of amino acid residues in ligand binding for two closely related family 16 carbohydrate binding modules.
J.Biol.Chem., 285, 2010
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5EYF
 | | Crystal Structure of Solute-binding Protein from Enterococcus faecium with Bound Glutamate | | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, Glutamate ABC superfamily ATP binding cassette transporter, ... | | Authors: | Maltseva, N, Kim, Y, Mulligan, R, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-11-24 | | Release date: | 2015-12-16 | | Last modified: | 2023-02-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal Structure of Solute-binding Protein from Enterococcus faecium with Bound Glutamate
To Be Published
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5IIX
 | | Crystal structure of Equine Serum Albumin in the presence of 15 mM zinc at pH 6.5 | | Descriptor: | SULFATE ION, Serum albumin, UNKNOWN LIGAND, ... | | Authors: | Handing, K.B, Shabalin, I.G, Cooper, D.R, Gasiorowska, O.A, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-03-01 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins.
Chem Sci, 7, 2016
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3VQI
 | | Crystal structure of Kluyveromyces marxianus Atg5 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Atg5, SULFATE ION | | Authors: | Yamaguchi, M, Noda, N.N, Yamamoto, H, Shima, T, Kumeta, H, Kobashigawa, Y, Akada, R, Ohsumi, Y, Inagaki, F. | | Deposit date: | 2012-03-24 | | Release date: | 2012-08-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into atg10-mediated formation of the autophagy-essential atg12-atg5 conjugate
Structure, 20, 2012
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3QZZ
 | | 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin Y61W mutant in Aquomet form | | Descriptor: | Methanosarcina acetivorans protoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M. | | Deposit date: | 2011-03-07 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
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1E0D
 | | UDP-N-Acetylmuramoyl-L-Alanine:D-Glutamate Ligase | | Descriptor: | SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | Authors: | Fanchon, E, Bertrand, J, Chantalat, L, Dideberg, O. | | Deposit date: | 2000-03-24 | | Release date: | 2000-06-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | "Open" Structures of Murd: Domain Movements and Structural Similarities with Folylpolyglutamate Synthetase.
J.Mol.Biol., 301, 2000
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6SLM
 | | Crystal structure of full-length HPV31 E6 oncoprotein in complex with LXXLL peptide of ubiquitin ligase E6AP | | Descriptor: | GLYCEROL, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, ... | | Authors: | Conrady, M, Gogl, G, Cousido-Siah, A, Mitschler, A, Trave, G, Simon, C. | | Deposit date: | 2019-08-20 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of High-Risk Papillomavirus 31 E6 Oncogenic Protein and Characterization of E6/E6AP/p53 Complex Formation.
J.Virol., 95, 2020
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2J9Q
 | | A novel conformation for the TPR domain of pex5p | | Descriptor: | PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR, STRONTIUM ION | | Authors: | Stanley, W.A, Wilmanns, M, Kursula, P. | | Deposit date: | 2006-11-15 | | Release date: | 2007-04-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A Previously Unobserved Conformation for the Human Pex5P Receptor Suggests Roles for Intrinsic Flexibility and Rigid Domain Motions in Ligand Binding
Bmc Struct.Biol., 7, 2007
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2V9A
 | | Structure of Citrate-free Periplasmic Domain of Sensor Histidine Kinase CitA | | Descriptor: | SENSOR KINASE CITA | | Authors: | Sevvana, M, Vijayan, V, Zweckstetter, M, Reinelt, S, Madden, D.R, Sheldrick, G.M, Bott, M, Griesinger, C, Becker, S. | | Deposit date: | 2007-08-23 | | Release date: | 2008-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Ligand-Induced Switch in the Periplasmic Domain of Sensor Histidine Kinase Cita.
J.Mol.Biol., 377, 2008
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4CSY
 | | E-selectin lectin, EGF-like and two SCR domains complexed with Sialyl Lewis X | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, E-SELECTIN, ... | | Authors: | Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T. | | Deposit date: | 2014-03-11 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
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4MNV
 | | Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2013-09-11 | | Release date: | 2014-02-05 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Peptide ligands stabilized by small molecules.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4PUK
 | | tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-(methylamino)-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Neeb, M, Heine, A, Klebe, G. | | Deposit date: | 2014-03-13 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme.
J.Med.Chem., 57, 2014
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