3UCL
 
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1RTL
 | | CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN: NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND PYRROLIDINE-5,5-TRANSLACTAM INHIBITOR | | Descriptor: | N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE, NS3 protease/helicase, NS4A COFACTOR, ... | | Authors: | Skarzynski, T, Somers, D.O.N. | | Deposit date: | 2003-12-10 | | Release date: | 2004-12-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Pyrrolidine-5,5-trans-lactams. 4. Incorporation of a P3/P4 urea leads to potent intracellular inhibitors of hepatitis C virus NS3/4A protease
Org.Lett., 5, 2003
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3VD6
 | | Both Zn Fingers of GATA1 Bound to Palindromic DNA Recognition Site, P21 Crystal Form | | Descriptor: | ACETATE ION, DNA (5'-D(*AP*AP*GP*AP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*TP*C)-3'), ... | | Authors: | Jacques, D.A, Ripin, N, Wilkinson-White, L.E, Guss, J.M, Matthews, J.M. | | Deposit date: | 2012-01-04 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | GATA1 directly mediates interactions with closely spaced pseudopalindromic but not distantly spaced double GATA sites on DNA.
Protein Sci., 24, 2015
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4GYN
 | | The E142L mutant of the amidase from Geobacillus pallidus | | Descriptor: | Aliphatic amidase, CHLORIDE ION | | Authors: | Weber, B.W, Sewell, B.T, Kimani, S.W, Varsani, A, Cowan, D.A, Hunter, R. | | Deposit date: | 2012-09-05 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The mechanism of the amidases: mutating the glutamate adjacent to the catalytic triad inactivates the enzyme due to substrate mispositioning.
J.Biol.Chem., 288, 2013
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4GYL
 | | The E142L mutant of the amidase from Geobacillus pallidus showing the result of Michael addition of acrylamide at the active site cysteine | | Descriptor: | Aliphatic amidase, CHLORIDE ION, PROPIONAMIDE | | Authors: | Weber, B.W, Sewell, B.T, Kimani, S.W, Varsani, A, Cowan, D.A, Hunter, R. | | Deposit date: | 2012-09-05 | | Release date: | 2013-08-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The mechanism of the amidases: mutating the glutamate adjacent to the catalytic triad inactivates the enzyme due to substrate mispositioning.
J.Biol.Chem., 288, 2013
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5O8O
 | | N. crassa Tom40 model based on cryo-EM structure of the TOM core complex at 6.8 A | | Descriptor: | Mitochondrial import receptor subunit tom40 | | Authors: | Bausewein, T, Mills, D.J, Nussberger, S, Nitschke, B, Kuehlbrandt, W. | | Deposit date: | 2017-06-13 | | Release date: | 2017-08-16 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Cryo-EM Structure of the TOM Core Complex from Neurospora crassa.
Cell, 170, 2017
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4ZFX
 | | Siderocalin-mediated recognition and cellular uptake of actinides | | Descriptor: | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide), Neutrophil gelatinase-associated lipocalin, SULFATE ION, ... | | Authors: | Allred, B.E, Rupert, P.B, Gauny, S.S, An, D.D, Ralston, C.Y, Sturzbecher-Hoehne, M, Strong, R.K, Abergel, R.J. | | Deposit date: | 2015-04-22 | | Release date: | 2015-08-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5OL2
 | | The electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile | | Descriptor: | Acyl-CoA dehydrogenase, CALCIUM ION, COENZYME A PERSULFIDE, ... | | Authors: | Demmer, J.K, Chowdhury, N.P, Selmer, T, Ermler, U, Buckel, W. | | Deposit date: | 2017-07-26 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The semiquinone swing in the bifurcating electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile.
Nat Commun, 8, 2017
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4XB2
 | | Hyperthermophilic archaeal homoserine dehydrogenase mutant in complex with NADPH | | Descriptor: | 319aa long hypothetical homoserine dehydrogenase, L-HOMOSERINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Sakuraba, H, Inoue, S, Yoneda, K, Ohshima, T. | | Deposit date: | 2014-12-16 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Crystal Structures of a Hyperthermophilic Archaeal Homoserine Dehydrogenase Suggest a Novel Cofactor Binding Mode for Oxidoreductases.
Sci Rep, 5, 2015
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8P9O
 | | PCNA from Chaetomium thermophilum in complex with PolD3 peptide | | Descriptor: | Proliferating cell nuclear antigen, Synthetic peptide corresponding to amino acids 437 to 451 of PolD3 from Chaetomium thermophilum | | Authors: | Alphey, M.S, Wolford, C.B, MacNeill, S.A. | | Deposit date: | 2023-06-06 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Canonical binding of Chaetomium thermophilum DNA polymerase delta / zeta subunit PolD3 and flap endonuclease Fen1 to PCNA.
Front Mol Biosci, 10, 2023
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5OOE
 | | Cryo-EM structure of F-actin in complex with AppNHp (AMPPNP) | | Descriptor: | Actin, alpha skeletal muscle, MAGNESIUM ION, ... | | Authors: | Merino, F, Pospich, S, Funk, J, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S. | | Deposit date: | 2017-08-07 | | Release date: | 2018-06-13 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
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7LBU
 | | Crystal structure of the Propionibacterium acnes surface sialidase | | Descriptor: | ACETATE ION, Exo-alpha-sialidase, PHOSPHATE ION | | Authors: | Yu, A.C.Y, Volkers, G, Strynadka, N.C.J. | | Deposit date: | 2021-01-08 | | Release date: | 2021-12-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases.
Glycobiology, 32, 2022
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7LBV
 | | Crystal structure of the Propionibacterium acnes surface sialidase in complex with Neu5Ac2en | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Exo-alpha-sialidase, PHOSPHATE ION | | Authors: | Yu, A.C.Y, Volkers, G, Strynadka, N.C.J. | | Deposit date: | 2021-01-09 | | Release date: | 2021-12-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases.
Glycobiology, 32, 2022
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7L23
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4ZT2
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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5ONV
 | | Cryo-EM structure of F-actin in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Merino, F, Pospich, S, Funk, J, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S. | | Deposit date: | 2017-08-04 | | Release date: | 2018-06-13 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
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3KWI
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4ZT3
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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4ZW2
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5OOC
 | | Cryo-EM structure of jasplakinolide-stabilized F-actin in complex with ADP | | Descriptor: | (4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | Authors: | Merino, F, Pospich, S, Funk, J, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S. | | Deposit date: | 2017-08-07 | | Release date: | 2018-06-13 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
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4XUG
 | | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site. | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, AMMONIUM ION, ... | | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2015-01-25 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site.
To Be Published
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5OOF
 | | Cryo-EM structure of F-actin in complex with ADP-BeFx | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Merino, F, Pospich, S, Funk, J, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S. | | Deposit date: | 2017-08-07 | | Release date: | 2018-06-13 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
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7M2N
 | | Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | Deposit date: | 2021-03-17 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
 | | Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | Deposit date: | 2021-03-17 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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7LXS
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