5JFX
 
 | | Crystal structure of TrkA in complex with PF-06273340 | | Descriptor: | High affinity nerve growth factor receptor, N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide | | Authors: | Jayasankar, J, Kurumbail, R, Skerratt, S, Brown, D. | | Deposit date: | 2016-04-19 | | Release date: | 2017-03-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.
J. Med. Chem., 59, 2016
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6HG4
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6HGA
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5LBU
 | | Structure of the human quinone reductase 2 (NQO2) in complex with to CL097 | | Descriptor: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Schneider, S, Gross, O. | | Deposit date: | 2016-06-17 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7
To Be Published
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6NV9
 | | BACE1 in complex with a macrocyclic inhibitor | | Descriptor: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 1, SULFATE ION | | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | Deposit date: | 2019-02-04 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
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6NW3
 | | BACE1 in complex with a macrocyclic inhibitor | | Descriptor: | Beta-secretase 1, N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, SULFATE ION | | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | Deposit date: | 2019-02-05 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.352 Å) | | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
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1M8Z
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4P2Q
 | | Crystal structure of the 5cc7 TCR in complex with 5c2/I-Ek | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5c2 peptide, 5cc7 T-cell receptor alpha chain, ... | | Authors: | Birnbaum, M.E, Ozkan, E, Garcia, K.C. | | Deposit date: | 2014-03-04 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Deconstructing the Peptide-MHC Specificity of T Cell Recognition.
Cell, 157, 2014
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4BZ8
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with J1038 | | Descriptor: | (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid, HISTONE DEACETYLASE 8, POTASSIUM ION, ... | | Authors: | Marek, M, Romier, C. | | Deposit date: | 2013-07-24 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
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4P2R
 | | Crystal structure of the 5cc7 TCR in complex with 5c1/I-Ek | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5c1 peptide, 5cc7 T-cell receptor alpha chain, ... | | Authors: | Birnbaum, M.E, Ozkan, E, Garcia, K.C. | | Deposit date: | 2014-03-04 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.295 Å) | | Cite: | Deconstructing the Peptide-MHC Specificity of T Cell Recognition.
Cell, 157, 2014
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2N7X
 | | Solution structure of microRNA 20b pre-element | | Descriptor: | RNA (5'-R(*GP*GP*UP*AP*GP*UP*UP*UP*UP*GP*GP*CP*AP*UP*GP*AP*CP*UP*CP*UP*AP*CP*C)-3') | | Authors: | Yang, F, Chen, Y, Varani, G. | | Deposit date: | 2015-09-25 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Rbfox proteins regulate microRNA biogenesis by sequence-specific binding to their precursors and target downstream Dicer.
Nucleic Acids Res., 44, 2016
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2N82
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2LIF
 | | Solution Structure of KKGF | | Descriptor: | Core protein p21 | | Authors: | Montserret, R, Penin, F. | | Deposit date: | 2011-08-29 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of hepatitis C virus core-e1 signal Peptide and requirements for cleavage of the genotype 3a signal sequence by signal Peptide peptidase.
J.Virol., 86, 2012
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4CQF
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5IU2
 | | Discovery of imidazoquinolines as a novel class of potent, selective and in vivo efficacious COT kinase inhibitors | | Descriptor: | Mitogen-activated protein kinase kinase kinase 8, N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine | | Authors: | Gutmann, S, Hinniger, A. | | Deposit date: | 2016-03-17 | | Release date: | 2016-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Imidazoquinolines as a Novel Class of Potent, Selective, and in Vivo Efficacious Cancer Osaka Thyroid (COT) Kinase Inhibitors.
J.Med.Chem., 59, 2016
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5JSM
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5JT2
 | | BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-BISAMIDE | | Descriptor: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide), BENZAMIDINE, Serine/threonine-protein kinase B-raf | | Authors: | Grasso, M.J, Marmorstein, R. | | Deposit date: | 2016-05-09 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
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5FE0
 | | Crystal structure of human PCAF bromodomain in complex with acetyllysine | | Descriptor: | Histone acetyltransferase KAT2B, N(6)-ACETYLLYSINE | | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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5FE7
 | | Crystal structure of human PCAF bromodomain in complex with fragment ZB2216 (fragment 11) | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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4QOM
 | | Bacillus pumilus catalase with pyrogallol bound | | Descriptor: | BENZENE-1,2,3-TRIOL, CHLORIDE ION, Catalase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2014-06-20 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
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4QOP
 | | Structure of Bacillus pumilus catalase with hydroquinone bound. | | Descriptor: | CHLORIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2014-06-20 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
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1S60
 | | Aminoglycoside N-Acetyltransferase AAC(6')-Iy in Complex with CoA and N-terminal His(6)-tag (crystal form 2) | | Descriptor: | COENZYME A, SULFATE ION, aminoglycoside 6'-N-acetyltransferase | | Authors: | Vetting, M.W, Magnet, S, Nieves, E, Roderick, S.L, Blanchard, J.S. | | Deposit date: | 2004-01-22 | | Release date: | 2004-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A bacterial acetyltransferase capable of regioselective N-acetylation of antibiotics and histones
Chem.Biol., 11, 2004
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4QOL
 | | Structure of Bacillus pumilus catalase | | Descriptor: | ACETATE ION, CHLORIDE ION, Catalase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2014-06-20 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
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4QOO
 | | Structure of Bacillus pumilus catalase with resorcinol bound. | | Descriptor: | CHLORIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2014-06-20 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
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4QOQ
 | | Structure of Bacillus pumilus catalase with guaiacol bound | | Descriptor: | CHLORIDE ION, Catalase, Guaiacol, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2014-06-20 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
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