1S6U
 
 | | Solution structure and backbone dynamics of the Cu(I) form of the second metal-binding domain of the Menkes protein ATP7A | | Descriptor: | COPPER (I) ION, Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Del Conte, R, D'Onofrio, M, Rosato, A, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-01-27 | | Release date: | 2004-04-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Backbone Dynamics of the Cu(I) and Apo Forms of the Second Metal-Binding Domain of the Menkes Protein ATP7A.
Biochemistry, 43, 2004
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1S6O
 | | Solution structure and backbone dynamics of the apo-form of the second metal-binding domain of the Menkes protein ATP7A | | Descriptor: | Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Del Conte, R, D'Onofrio, M, Rosato, A, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-01-26 | | Release date: | 2004-04-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Backbone Dynamics of the Cu(I) and Apo Forms of the Second Metal-Binding Domain of the Menkes Protein ATP7A.
Biochemistry, 43, 2004
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1OO8
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1OPH
 | | NON-COVALENT COMPLEX BETWEEN ALPHA-1-PI-PITTSBURGH AND S195A TRYPSIN | | Descriptor: | Alpha-1-antitrypsin precursor, Trypsinogen, cationic precursor | | Authors: | Dementiev, A, Simonovic, M, Volz, K, Gettins, P.G. | | Deposit date: | 2003-03-05 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Canonical inhibitor-like interactions explain reactivity of alpha1-proteinase inhibitor Pittsburgh and antithrombin with proteinases
J.Biol.Chem., 278, 2003
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1K20
 | | Inorganic Pyrophosphatase (family II) from Streptococcus gordonii at 1.5 A resolution | | Descriptor: | GLYCEROL, MANGANESE (II) ION, Manganese-dependent inorganic pyrophosphatase, ... | | Authors: | Ahn, S, Milner, A.J, Futterer, K, Konopka, M, Ilias, M, Young, T.W, White, S.A. | | Deposit date: | 2001-09-26 | | Release date: | 2001-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The "open" and "closed" structures of the type-C inorganic pyrophosphatases from Bacillus subtilis and Streptococcus gordonii.
J.Mol.Biol., 313, 2001
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1JWW
 | | NMR characterization of the N-terminal domain of a potential copper-translocating P-type ATPase from Bacillus subtilis | | Descriptor: | Potential copper-transporting ATPase | | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, D'Onofrio, M, Gonnelli, L, Marhuenda-Egea, F, Ruiz-Duenas, F.J. | | Deposit date: | 2001-09-05 | | Release date: | 2002-04-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the N-terminal domain of a potential copper-translocating P-type ATPase from Bacillus subtilis in the apo and Cu(I) loaded states.
J.Mol.Biol., 317, 2002
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1J71
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4K90
 | | Extracellular metalloproteinase from Aspergillus | | Descriptor: | BORIC ACID, CALCIUM ION, Extracellular metalloproteinase mep, ... | | Authors: | Fernandez, D, Russi, S, Vendrell, J, Monod, M, Pallares, I. | | Deposit date: | 2013-04-19 | | Release date: | 2013-10-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A functional and structural study of the major metalloprotease secreted by the pathogenic fungus Aspergillus fumigatus.
Acta Crystallogr.,Sect.D, 69, 2013
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6QE7
 | | anti-sigma factor domain-containing protein | | Descriptor: | Anti-sigma-I factor RsgI3, CALCIUM ION | | Authors: | Voronov, M, Livnah, O, Bayer, E.A. | | Deposit date: | 2019-01-07 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum.
Proteins, 87, 2019
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6QDI
 | | anti-sigma factor domain-containing protein from Clostridium clariflavum | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PA14 domain-containing protein | | Authors: | Voronov, M, Bayer, E.A, Livnah, O. | | Deposit date: | 2019-01-01 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum.
Proteins, 87, 2019
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4HBP
 | | Crystal Structure of FAAH in complex with inhibitor | | Descriptor: | 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide, Fatty-acid amide hydrolase 1 | | Authors: | Behnke, C, Skene, R.J. | | Deposit date: | 2012-09-28 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors.
Bioorg.Med.Chem., 21, 2013
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6ATH
 | | Cdk2/cyclin A/p27-KID-deltaC | | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2017-08-29 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Dynamic anticipation by Cdk2/Cyclin A-bound p27 mediates signal integration in cell cycle regulation.
Nat Commun, 10, 2019
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6BR2
 | | Structure of RORgt in complex with a novel isoquinoline inverse agonist. | | Descriptor: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2017-11-29 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
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6BR3
 | | Structure of RORgt in complex with a novel inverse agonist TAK-828. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma, {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2017-11-29 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
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4C5X
 | | Ultra High Resolution Dickerson-Drew dodecamer B-DNA with 5-Hydroxymethyl-cytosine Modification | | Descriptor: | 5'-D(CP*GP*CP*GP*AP*AP*TP*TP*5HCP*GP*CP*GP)-3', MAGNESIUM ION | | Authors: | McDonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J. | | Deposit date: | 2013-09-16 | | Release date: | 2013-10-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural insights into how 5-hydroxymethylation influences transcription factor binding.
Chem. Commun. (Camb.), 50, 2014
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4C63
 | | ULTRA HIGH RESOLUTION DICKERSON-DREW DODECAMER B-DNA WITH 5- METHYLCYSTOSINE MODIFICATION | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*5CMP*GP*CP*GP)-3', MAGNESIUM ION | | Authors: | Mcdonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J. | | Deposit date: | 2013-09-17 | | Release date: | 2013-10-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structural insights into how 5-hydroxymethylation influences transcription factor binding.
Chem. Commun. (Camb.), 50, 2014
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4C64
 | | ULTRA HIGH RESOLUTION DICKERSON-DREW DODECAMER B-DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*GP)-3', MAGNESIUM ION | | Authors: | Mcdonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J. | | Deposit date: | 2013-09-17 | | Release date: | 2013-10-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structural insights into how 5-hydroxymethylation influences transcription factor binding.
Chem. Commun. (Camb.), 50, 2014
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5Y25
 | | EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 | | Descriptor: | (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide, Epidermal growth factor receptor | | Authors: | Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A. | | Deposit date: | 2017-07-24 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Selective and reversible modification of kinase cysteines with chlorofluoroacetamides.
Nat.Chem.Biol., 15, 2019
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4PF3
 | | Mineralocorticoid receptor ligand-binding domain with compuond 37a | | Descriptor: | 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2014-04-28 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
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4D7W
 | | Crystal structure of sortase C1 (SrtC1) from Streptococcus agalactiae | | Descriptor: | 1,2-ETHANEDIOL, SORTASE FAMILY PROTEIN | | Authors: | Malito, E, Lazzarin, M, Cozzi, R, Bottomley, M.J. | | Deposit date: | 2014-11-28 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Noncanonical Sortase-Mediated Assembly of Pilus Type 2B in Group B Streptococcus.
Faseb J., 29, 2015
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7VAF
 | | Cryo-EM structure of Rat NTCP complexed with YN69202Fab | | Descriptor: | Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter | | Authors: | Asami, J, Shimizu, T, Ohto, U. | | Deposit date: | 2021-08-29 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
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7VAG
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7VAD
 | | Cryo-EM structure of human NTCP complexed with YN69202Fab | | Descriptor: | Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter | | Authors: | Asami, J, Shimizu, T, Ohto, U. | | Deposit date: | 2021-08-29 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
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7VAE
 | | Cryo-EM structure of bovine NTCP complexed with YN69202Fab | | Descriptor: | Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Solute carrier family 10 (Sodium/bile acid cotransporter family), ... | | Authors: | Asami, J, Shimizu, T, Ohto, U. | | Deposit date: | 2021-08-29 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
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7WSI
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