2CAH
 
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6P89
 | | E.coli LpxD in complex with compound 7 | | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide, ... | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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6P87
 | | E.coli LpxD in complex with compound 5 | | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, N-[(R)-(1H-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide, ... | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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5OFQ
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4AWJ
 | | pVHL:EloB:EloC complex, in complex with capped Hydroxyproline | | Descriptor: | (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ... | | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | | Deposit date: | 2012-06-04 | | Release date: | 2012-11-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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6PPG
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7ECA
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5H9M
 | | Crystal structure of siah2 SBD domain | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase SIAH2, PENTAETHYLENE GLYCOL, ... | | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-28 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.761 Å) | | Cite: | Crystal structure of siah2 SBD domain
to be published
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3JXH
 | | CA-like domain of human PTPRG | | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION | | Authors: | Bouyain, S. | | Deposit date: | 2009-09-19 | | Release date: | 2009-12-22 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4YGJ
 | | NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | | Descriptor: | BROMIDE ION, Carbonic anhydrase 2, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | | Deposit date: | 2015-02-26 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
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4YGN
 | | NaI--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | | Descriptor: | Carbonic anhydrase 2, IODIDE ION, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | | Deposit date: | 2015-02-26 | | Release date: | 2015-03-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
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6P8B
 | | E.coli LpxD in complex with peptide FITC-RJPXD33 | | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, FITC-RJPXD33, MAGNESIUM ION, ... | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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5T64
 | | X-ray structure of the C3-methyltransferase KijD1 from Actinomadura kijaniata in complex with TDP and SAH | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Holden, H.M, Thoden, J.B, DOW, G.T. | | Deposit date: | 2016-09-01 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural studies on KijD1, a sugar C-3'-methyltransferase.
Protein Sci., 25, 2016
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1I6O
 | | CRYSTAL STRUCTURE OF E. COLI BETA CARBONIC ANHYDRASE (ECCA) | | Descriptor: | CARBONIC ANHYDRASE, ZINC ION | | Authors: | Cronk, J.D, Endrizzi, J.A, Cronk, M.R, O'Neill, J.W, Zhang, K.Y.J. | | Deposit date: | 2001-03-02 | | Release date: | 2001-05-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of E. coli beta-carbonic anhydrase, an enzyme with an unusual pH-dependent activity.
Protein Sci., 10, 2001
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6P84
 | | E.coli LpxD in complex with compound 2o | | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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1IB5
 | | X-RAY 3D STRUCTURE OF P.LEIOGNATHI CU,ZN SOD MUTANT W83Y | | Descriptor: | COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Stroppolo, M.E, Pesce, A, D'Orazio, M, O'Neill, P, Bordo, D, Rosano, C, Milani, M, Battistoni, A, Bolognesi, M, Desideri, A. | | Deposit date: | 2001-03-27 | | Release date: | 2001-05-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Single mutations at the subunit interface modulate copper reactivity in Photobacterium leiognathi Cu,Zn superoxide dismutase.
J.Mol.Biol., 308, 2001
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5HKZ
 | | Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form) | | Descriptor: | E3 ubiquitin-protein ligase CBL, Protein sprouty homolog 2, SODIUM ION | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P. | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form)
To be published
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5IWC
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 3 [4-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid] | | Descriptor: | 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Schnell, R, Maric, S, Lindqvist, Y, Schneider, G. | | Deposit date: | 2016-03-22 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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5CTY
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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7DVQ
 | | Cryo-EM Structure of the Activated Human Minor Spliceosome (minor Bact Complex) | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, 5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine, Armadillo repeat-containing protein 7, ... | | Authors: | Bai, R, Wan, R, Wang, L, Xu, K, Zhang, Q, Lei, J, Shi, Y. | | Deposit date: | 2021-01-14 | | Release date: | 2021-03-31 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structure of the activated human minor spliceosome.
Science, 371, 2021
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4N1B
 | | STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-Carbonyl]cyclohexane-1-carboxylic acid | | Descriptor: | (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Smith, M.A, Duclos, S, Beaumont, E, Kwong, J, Brooks, M, Barker, J, Jnoff, E, Brookfield, F, Courade, J.P, Barker, O, Fryatt, T, Albrecht, C, Bromidge, S. | | Deposit date: | 2013-10-03 | | Release date: | 2014-02-19 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
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6LY7
 | | PylRS C-terminus domain mutant bound with 1-Formyl-L-tryptophan and AMPNP | | Descriptor: | MAGNESIUM ION, N1-FORMYL-TRYPTOPHAN, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | | Deposit date: | 2020-02-13 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09447265 Å) | | Cite: | Probing the Active Site of Deubiquitinase USP30 with Noncanonical Tryptophan Analogues.
Biochemistry, 59, 2020
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6P8A
 | | E.coli LpxD in complex with compound 8.1 | | Descriptor: | 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide, 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, ... | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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4YGL
 | | NaClO4--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | | Descriptor: | Carbonic anhydrase 2, HYDROXIDE ION, PERCHLORATE ION, ... | | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | | Deposit date: | 2015-02-26 | | Release date: | 2015-03-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
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6P83
 | | E.coli LpxD in complex with compound 1o | | Descriptor: | 4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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