2A02
 
 | | Solution NMR Structure of the Periplasmic Signaling Domain of the Outer Membrane Iron Transporter PupA from Pseudomonas putida. | | Descriptor: | Ferric-pseudobactin 358 receptor | | Authors: | Ferguson, A.D, Amezcua, C.A, Chelliah, Y, Rosen, M.K, Deisenhofer, J. | | Deposit date: | 2005-06-15 | | Release date: | 2006-09-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Signal transduction pathway of TonB-dependent transporters.
Proc.Natl.Acad.Sci.Usa, 2, 2006
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2A4H
 | | Solution structure of Sep15 from Drosophila melanogaster | | Descriptor: | Selenoprotein Sep15 | | Authors: | Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J. | | Deposit date: | 2005-06-28 | | Release date: | 2005-12-13 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family.
J.Biol.Chem., 281, 2006
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2A2P
 | | Solution structure of SelM from Mus musculus | | Descriptor: | Selenoprotein M | | Authors: | Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J. | | Deposit date: | 2005-06-22 | | Release date: | 2005-12-06 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family.
J.Biol.Chem., 281, 2006
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3S7F
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3S7D
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3S7B
 | | Structural Basis of Substrate Methylation and Inhibition of SMYD2 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2011-05-26 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
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3S7J
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6B3E
 | | Crystal structure of human CDK12/CyclinK in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2017-09-21 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
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6BSK
 | | Human PIM1 kinase in complex with compound 12b | | Descriptor: | 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2017-12-03 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.573 Å) | | Cite: | Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases.
Bioorg. Med. Chem. Lett., 28, 2018
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1H4P
 | | Crystal structure of exo-1,3-beta glucanse from Saccharomyces cerevisiae | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCAN 1,3-BETA-GLUCOSIDASE I/II, GLYCEROL, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2001-05-11 | | Release date: | 2003-10-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Er Protein Folding Sensor Udp-Glucose Glycoprotein:Glucosyltransferase Modifies Substrates Distant to Local Changes in Glycoprotein Conformation.
Nat.Struct.Mol.Biol., 11, 2004
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5K72
 | | IRAK4 in complex with Compound 21 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-05-25 | | Release date: | 2017-12-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
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5K7G
 | | IRAK4 in complex with AZ3862 | | Descriptor: | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-05-26 | | Release date: | 2017-12-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
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5KGG
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5KGK
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5K76
 | | IRAK4 in complex with Compound 28 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-05-25 | | Release date: | 2017-12-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
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5K7I
 | | IRAK4 in complex with AZ3864 | | Descriptor: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-05-26 | | Release date: | 2017-12-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
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5K75
 | | IRAK4 in complex with Compound 1 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-05-25 | | Release date: | 2017-12-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
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5KGE
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5KGI
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5KGD
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5KWH
 | | Crystal structure of CK2 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-07-18 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal structure of CK2
To Be Published
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5KU8
 | | Crystal structure of CK2 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Ferguson, A.D, Dowling, J. | | Deposit date: | 2016-07-13 | | Release date: | 2017-11-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure of CK2
Not Published
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1KMP
 | | Crystal structure of the Outer Membrane Transporter FecA Complexed with Ferric Citrate | | Descriptor: | CITRIC ACID, FE (III) ION, IRON(III) DICITRATE TRANSPORT PROTEIN FECA, ... | | Authors: | Ferguson, A.D, Chakraborty, R, Smith, B.S, Esser, L, van der Helm, D, Deisenhofer, J. | | Deposit date: | 2001-12-17 | | Release date: | 2002-03-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of gating by the outer membrane transporter FecA.
Science, 295, 2002
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1KMO
 | | Crystal structure of the Outer Membrane Transporter FecA | | Descriptor: | HEPTANE-1,2,3-TRIOL, Iron(III) dicitrate transport protein fecA, LAURYL DIMETHYLAMINE-N-OXIDE | | Authors: | Ferguson, A.D, Chakraborty, R, Smith, B.S, Esser, L, van der Helm, D, Deisenhofer, J. | | Deposit date: | 2001-12-17 | | Release date: | 2002-03-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of gating by the outer membrane transporter FecA.
Science, 295, 2002
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4P73
 | | PheRS in complex with compound 1a | | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
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