4MF3
 
 | | Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist | | Descriptor: | (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1 | | Authors: | Martinez-Perez, J.A, Iyengar, S, Shannon, H.E, Bleakman, D, Alt, A, Clawson, D.K, Arnold, B.M, Bell, M.G, Bleisch, T.J, Castano, A.M, Del Prado, M, Dominguez, E, Escribano, A.M, Filla, S.A, Ho, K.H, Hudziak, K.J, Jones, C.K, Katofiasc, M.A, Mateo, A, Mathes, B.M, Mattiuz, E.L, Ogden, A.M.L, Phebus, L.A, Simmons, R.M.A, Stack, D.R, Stratford, R.E, Winter, M.A, Wu, Z, Ornstein, P.L. | | Deposit date: | 2013-08-27 | | Release date: | 2014-05-07 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.
Bioorg.Med.Chem.Lett., 23, 2013
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2F0R
 | | Crystallographic structure of human Tsg101 UEV domain | | Descriptor: | SULFATE ION, Tumor susceptibility gene 101 protein | | Authors: | Camara-Artigas, A, Luque, I, Palencia, A, Martinez, J.C, Mateo, P.L. | | Deposit date: | 2005-11-13 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure of human TSG101 UEV domain.
Acta Crystallogr.,Sect.D, 62, 2006
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2HDA
 | | Yes SH3 domain | | Descriptor: | Proto-oncogene tyrosine-protein kinase Yes, SULFATE ION | | Authors: | Camara-Artigas, A, Luque, I, Ruiz-Sanz, J, Mateo, P.L, Martin-Garcia, J.M. | | Deposit date: | 2006-06-20 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic structure of the SH3 domain of the human c-Yes tyrosine kinase: Loop flexibility and amyloid aggregation.
Febs Lett., 581, 2007
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5UBQ
 | | Cryo-EM structure of ciliary microtubule doublet | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H. | | Deposit date: | 2016-12-21 | | Release date: | 2017-05-10 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
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5TSG
 | | PilB from Geobacter metallireducens bound to ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | McCallum, M, Tammam, S, Khan, A, Burrows, L, Howell, P.L. | | Deposit date: | 2016-10-28 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.4011 Å) | | Cite: | The molecular mechanism of the type IVa pilus motors.
Nat Commun, 8, 2017
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5TSY
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5UCY
 | | Cryo-EM map of protofilament of microtubule doublet | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H. | | Deposit date: | 2016-12-22 | | Release date: | 2017-05-10 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
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5UG1
 | | Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain with methylsulfonyl adduct | | Descriptor: | Acyltransferase, SODIUM ION, methanesulfonic acid | | Authors: | Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-01-06 | | Release date: | 2017-10-25 | | Last modified: | 2017-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
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5UFY
 | | Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain | | Descriptor: | Acyltransferase, SODIUM ION | | Authors: | Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-01-06 | | Release date: | 2017-10-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
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5V8E
 | | Structure of Bacillus cereus PatB1 | | Descriptor: | Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-03-21 | | Release date: | 2017-10-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018
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5VDI
 | | Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607, Glycine, and Ivermectin | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, GLYCINE, ... | | Authors: | Shaffer, P.L, Huang, X, Chen, H. | | Deposit date: | 2017-04-03 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structures of Human GlyR alpha 3 Bound to Ivermectin.
Structure, 25, 2017
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5VDH
 | | Crystal Structure of Human Glycine Receptor alpha-3 Bound to AM-3607, Glycine, and Ivermectin | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shaffer, P.L, Huang, X, Chen, H. | | Deposit date: | 2017-04-03 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal Structures of Human GlyR alpha 3 Bound to Ivermectin.
Structure, 25, 2017
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5VJS
 | | De Novo Photosynthetic Reaction Center Protein Equipped with Heme B, a synthetic Zn porphyrin, and Zn(II) cations | | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette, ... | | Authors: | Ennist, N.M, Dutton, P.L, Stayrook, S.E, Moser, C.C. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | De novo protein design of photochemical reaction centers.
Nat Commun, 13, 2022
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5TCB
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2IVI
 | | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- methyl-cyclopropylglycine Fe Complex) | | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Elkins, J.M, Howard-Jones, A.R, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2006-06-13 | | Release date: | 2007-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
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5TIO
 | | Crystal Structure of Human Glycine Receptor alpha-3 Bound to AM-3607 | | Descriptor: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Shaffer, P.L, Huang, X, Chen, H. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain
To Be Published
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5TIN
 | | Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607 | | Descriptor: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, CHLORIDE ION, GLYCINE, ... | | Authors: | Shaffer, P.L, Huang, X, Chen, H. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain
To Be Published
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5VJU
 | | De Novo Photosynthetic Reaction Center Protein Variant Equipped with His-Tyr H-bond, Heme B, and Cd(II) ions | | Descriptor: | CADMIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette Leu71His variant | | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | De novo protein design of photochemical reaction centers.
Nat Commun, 13, 2022
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2G8E
 | | Calpain 1 proteolytic core in complex with SNJ-1715, a cyclic hemiacetal-type inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Calpain-1 catalytic subunit, ... | | Authors: | Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L. | | Deposit date: | 2006-03-02 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography
Biochemistry, 45, 2006
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5V8D
 | | Structure of Bacillus cereus PatB1 with sulfonyl adduct | | Descriptor: | Bacillus cereus PatB1, SULFATE ION | | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-03-21 | | Release date: | 2017-10-18 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018
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5UVR
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5VJT
 | | De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) cations | | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette, ... | | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | De novo protein design of photochemical reaction centers.
Nat Commun, 13, 2022
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2GBL
 | | Crystal Structure of Full Length Circadian Clock Protein KaiC with Phosphorylation Sites | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase kaiC, MAGNESIUM ION | | Authors: | Pattanayek, R, Williams, D.R, Pattanayek, S, Xu, Y, Mori, T, Johnson, C.H, Stewart, P.L, Egli, M. | | Deposit date: | 2006-03-10 | | Release date: | 2007-01-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Analysis of KaiA-KaiC protein interactions in the cyano-bacterial circadian clock using hybrid structural methods.
Embo J., 25, 2006
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2G8J
 | | Calpain 1 proteolytic core in complex with SNJ-1945, a alpha-ketoamide-type inhibitor. | | Descriptor: | ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER, CALCIUM ION, Calpain-1 catalytic subunit | | Authors: | Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L. | | Deposit date: | 2006-03-02 | | Release date: | 2006-06-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography
Biochemistry, 45, 2006
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5TSH
 | | PilB from Geobacter metallireducens bound to AMP-PNP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | McCallum, M, Tammam, S, Khan, A, Burrows, L, Howell, P.L. | | Deposit date: | 2016-10-28 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular mechanism of the type IVa pilus motors.
Nat Commun, 8, 2017
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