1H3J
 
 | | STRUCTURE OF RECOMBINANT COPRINUS CINEREUS PEROXIDASE DETERMINED TO 2.0 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Petersen, J.F.W, Houborg, K, Harris, P, Larsen, S. | | Deposit date: | 2002-09-05 | | Release date: | 2003-06-12 | | Last modified: | 2023-02-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Impact of the Physical and Chemical Environment on the Molecular Structure of Coprinus Cinereus Peroxidase
Acta Crystallogr.,Sect.D, 59, 2003
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3BU5
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5JF5
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT020 | | Descriptor: | (3R)-3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide, ACETATE ION, IMIDAZOLE, ... | | Authors: | Fieulaine, S, Giglione, C, Meinnel, T. | | Deposit date: | 2016-04-19 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
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8H66
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3BL0
 | | Carbonic anhydrase inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | | Descriptor: | 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | Authors: | Temperini, C, Supuran, C.T, Blackburn, G.M. | | Deposit date: | 2007-12-10 | | Release date: | 2008-01-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Carbonic anhydrase inhibitors. Interaction of 2-N,N-dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
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1QMQ
 | | Optical detection of cytochrome P450 by sensitizer-linked substrates | | Descriptor: | ACETATE ION, CYTOCHROME P450, DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II), ... | | Authors: | Crane, B.R, Dmochowski, I.J, Gray, H.B. | | Deposit date: | 1999-10-05 | | Release date: | 2000-10-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Optical Detection of Cytochrome P450 by Sensitizer-Linked Substrates
Proc.Natl.Acad.Sci.USA, 96, 1999
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3BVS
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5JG0
 | | Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH and UCP1191 | | Descriptor: | 4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Anderson, A.C, Reeve, S.M. | | Deposit date: | 2016-04-19 | | Release date: | 2017-04-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.879 Å) | | Cite: | MRSA Isolates from United States Hospitals Carry dfrG and dfrK Resistance Genes and Succumb to Propargyl-Linked Antifolates.
Cell Chem Biol, 23, 2016
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5J59
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893) | | Descriptor: | 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine, GLYCEROL, METHIONINE, ... | | Authors: | Barros-Alvarez, X, Hol, W.G.J. | | Deposit date: | 2016-04-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
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1QNC
 | | Crystal structure of the A(-31) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. | | Descriptor: | DNA (5'-D(*GP*CP*AP*AP*TP*AP*AP*AP*AP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*TP*TP*TP*TP*AP*TP*TP*GP*C)-3'), TRANSCRIPTION INITIATION FACTOR TFIID-1 | | Authors: | Patikoglou, G.A, Kim, J.L, Sun, L, Yang, S.-H, Kodadek, T, Burley, S.K. | | Deposit date: | 1999-10-14 | | Release date: | 2000-02-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution
Genes Dev., 13, 1999
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5J5L
 | | CRYSTAL STRUCTURE OF AFMP4P IN COMPLEX WITH ARACHIDONIC ACID | | Descriptor: | ARACHIDONIC ACID, Uncharacterized protein | | Authors: | Zhang, H, Hao, Q. | | Deposit date: | 2016-04-03 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Novel Class Of Virulence Factors In Penicillium Marneffei And Aspergillus Fumigatus Enhances Intracellular Survival In Monocytes By Arachidonic Acid Binding
To Be Published
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5JG7
 | | Crystal structure of putative periplasmic binding protein from Salmonella typhimurium LT2 | | Descriptor: | Fur regulated Salmonella iron transporter, GLYCEROL | | Authors: | Chang, C, Zhou, M, Shatsman, S, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-04-19 | | Release date: | 2016-04-27 | | Last modified: | 2016-07-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of putative periplasmic binding protein from Salmonella typhimurium LT2
To Be Published
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5B25
 | | Crystal structure of human PDE1B with inhibitor 3 | | Descriptor: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... | | Authors: | Ida, K, Lane, W, Snell, G, Sogabe, S. | | Deposit date: | 2016-01-07 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases
J.Med.Chem., 59, 2016
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5J5Z
 | | Crystal structure of the D444V disease-causing mutant of the human dihydrolipoamide dehydrogenase | | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Szabo, E, Mizsei, R, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2016-04-04 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase.
Free Radic. Biol. Med., 124, 2018
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1QPH
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6VUZ
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT353 | | Descriptor: | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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5JH9
 | | Crystal structure of prApe1 | | Descriptor: | CACODYLATE ION, Vacuolar aminopeptidase 1, ZINC ION | | Authors: | Noda, N.N, Adachi, W, Inagaki, F. | | Deposit date: | 2016-04-20 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Receptor-Mediated Selective Autophagy of Aminopeptidase I Aggregates
Cell Rep, 16, 2016
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7AGH
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5IYD
 | | Human core-PIC in the initial transcribing state (no IIS) | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ... | | Authors: | He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E. | | Deposit date: | 2016-03-24 | | Release date: | 2016-05-18 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
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7SF3
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006m | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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6W39
 | | Structure of unphosphorylated IRE1 in complex with G-1749 | | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | | Deposit date: | 2020-03-09 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.736 Å) | | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
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5IZE
 | | Hantaan virus L protein cap-snatching endonuclease | | Descriptor: | MANGANESE (III) ION, RNA-directed RNA polymerase L | | Authors: | Reguera, J, Cusack, S. | | Deposit date: | 2016-03-25 | | Release date: | 2016-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Comparative Structural and Functional Analysis of Bunyavirus and Arenavirus Cap-Snatching Endonucleases.
Plos Pathog., 12, 2016
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1QRI
 | | X-RAY STRUCTURE OF THE DNA-ECO RI ENDONUCLEASE COMPLEXES WITH AN E144D MUTATION AT 2.7 A | | Descriptor: | 5'-D(*TP*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', ECO RI ENDONCULEASE | | Authors: | Choi, J, Kim, Y, Greene, P, Hager, P, Rosenberg, J.M. | | Deposit date: | 1999-06-14 | | Release date: | 1999-06-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-Ray Structure of the DNA-Eco RI Endonuclease Complexes with the ED144 and RK145 Mutations
To be Published
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5IZH
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7SFH
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML102 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-03 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
To Be Published
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