7WRS
 
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7WRU
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2KXL
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2K0G
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4RBU
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4RBT
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4RBV
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5D6V
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3FCK
 | | Complex of UNG2 and a fragment-based design inhibitor | | Descriptor: | 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid, Uracil-DNA glycosylase | | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | | Deposit date: | 2008-11-21 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
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3FCI
 | | Complex of UNG2 and a fragment-based designed inhibitor | | Descriptor: | 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid, SODIUM ION, THIOCYANATE ION, ... | | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | | Deposit date: | 2008-11-21 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
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3FCF
 | | Complex of UNG2 and a fragment-based designed inhibitor | | Descriptor: | 3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase | | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | | Deposit date: | 2008-11-21 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
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3FCL
 | | Complex of UNG2 and a fragment-based designed inhibitor | | Descriptor: | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase | | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | | Deposit date: | 2008-11-21 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
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6LDK
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3QLH
 | | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | Authors: | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | | Deposit date: | 2011-02-02 | | Release date: | 2011-12-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
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4QIF
 | | Crystal Structure of PduA with edge mutation K26A and pore mutation S40H | | Descriptor: | D(-)-TARTARIC ACID, GLYCEROL, POTASSIUM ION, ... | | Authors: | Pang, A.H, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2014-05-30 | | Release date: | 2015-02-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9951 Å) | | Cite: | Selective molecular transport through the protein shell of a bacterial microcompartment organelle.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4QIG
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3V1O
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3V1Q
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3V1R
 | | Crystal structures of the reverse transcriptase-associated ribonuclease H domain of XMRV with inhibitor beta-thujaplicinol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, ... | | Authors: | Zhou, D, Wlodawer, A. | | Deposit date: | 2011-12-09 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
J.Struct.Biol., 177, 2012
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7BVK
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7BVJ
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7UVF
 | | Crystal structure of ZED8 Fab complex with CD8 alpha | | Descriptor: | CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ... | | Authors: | Yu, C, Davies, C, Koerber, J.T, Williams, S. | | Deposit date: | 2022-05-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy.
Eur J Nucl Med Mol Imaging, 50, 2023
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5UIS
 | | Crystal structure of IRAK4 in complex with compound 12 | | Descriptor: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIQ
 | | Crystal structure of IRAK4 in complex with compound 9 | | Descriptor: | 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIR
 | | Crystal structure of IRAK4 in complex with compound 11 | | Descriptor: | 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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