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7WRS
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BU of 7wrs by Molmil
Crystal structure of the chicken isoleucyl-tRNA synthetase 1 (IARS1) UNE-I complexed with glutamyl-tRNA synthetase 1 (EARS1)
Descriptor: Glutamyl-tRNA synthetase, Isoleucyl-tRNA synthetase
Authors:Chung, S, Cho, Y.
Deposit date:2022-01-27
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulation of BRCA1 stability through the tandem UBX domains of isoleucyl-tRNA synthetase 1.
Nat Commun, 13, 2022
7WRU
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BU of 7wru by Molmil
Crystal structure of the apo chicken glutamyl-tRNA synthetase 1 (EARS1)
Descriptor: Glutamyl-tRNA synthetase, MERCURY (II) ION
Authors:Chung, S, Cho, Y.
Deposit date:2022-01-27
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of BRCA1 stability through the tandem UBX domains of isoleucyl-tRNA synthetase 1.
Nat Commun, 13, 2022
3FCK
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BU of 3fck by Molmil
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
3FCI
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BU of 3fci by Molmil
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
3FCF
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BU of 3fcf by Molmil
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
3FCL
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BU of 3fcl by Molmil
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
6LDK
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BU of 6ldk by Molmil
Isoleucyl-tRNA synthetase from Candida albicans complexed with a isoleucyl-adenylate
Descriptor: ADENOSINE MONOPHOSPHATE, ISOLEUCINE, Isoleucine--tRNA ligase
Authors:Cho, Y, Chung, S.
Deposit date:2019-11-21
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for the Antibiotic Resistance of Eukaryotic Isoleucyl-tRNA Synthetase.
Mol.Cells, 43, 2020
3QLH
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BU of 3qlh by Molmil
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
5UIS
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BU of 5uis by Molmil
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:2017-07-26
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
5UIQ
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BU of 5uiq by Molmil
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:2017-07-26
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
5UIR
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BU of 5uir by Molmil
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:2017-07-26
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
5UIT
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BU of 5uit by Molmil
Crystal structure of IRAK4 in complex with compound 14
Descriptor: 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-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:2017-07-26
Method:X-RAY DIFFRACTION (1.84 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
5UIU
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BU of 5uiu by Molmil
Crystal structure of IRAK4 in complex with compound 30
Descriptor: 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-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:2017-07-26
Method:X-RAY DIFFRACTION (2.02 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
2HXM
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BU of 2hxm by Molmil
Complex of UNG2 and a small Molecule synthetic Inhibitor
Descriptor: 4-[(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, Uracil-DNA glycosylase
Authors:Bianchet, M.A, Krosky, D.J, Ghung, S, Seiple, L, Amzel, L.M, Stivers, J.T.
Deposit date:2006-08-03
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mimicking damaged DNA with a small molecule inhibitor of human UNG2.
Nucleic Acids Res., 34, 2006
7UVF
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BU of 7uvf by Molmil
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:2023-01-18
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
7NFX
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BU of 7nfx by Molmil
Mammalian ribosome nascent chain complex with SRP and SRP receptor in early state A
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Jomaa, A, Lee, J.H, Shan, S, Ban, N.
Deposit date:2021-02-08
Release date:2021-06-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Receptor compaction and GTPase rearrangement drive SRP-mediated cotranslational protein translocation into the ER.
Sci Adv, 7, 2021
4QAG
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BU of 4qag by Molmil
Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase
Descriptor: (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H
Authors:Himmel, D.M, Ho, W.C, Arnold, E.
Deposit date:2014-05-04
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.712 Å)
Cite:Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs.
J.Mol.Biol., 426, 2014
3V1O
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BU of 3v1o by Molmil
Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, GLYCEROL, Reverse transcriptase/ribonuclease H p80, ...
Authors:Zhou, D, Wlodawer, A.
Deposit date:2011-12-09
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.876 Å)
Cite:Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
J.Struct.Biol., 177, 2012
3V1Q
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BU of 3v1q by Molmil
Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus
Descriptor: Reverse transcriptase/ribonuclease H p80
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 Å)
Cite:Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
J.Struct.Biol., 177, 2012
3V1R
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BU of 3v1r by Molmil
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
3Q9U
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BU of 3q9u by Molmil
In silico and in vitro co-evolution of a high affinity complementary protein-protein interface
Descriptor: COENZYME A, CoA binding protein, consensus ankyrin repeat
Authors:Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC)
Deposit date:2011-01-10
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
3Q9N
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BU of 3q9n by Molmil
In silico and in vitro co-evolution of a high affinity complementary protein-protein interface
Descriptor: CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ...
Authors:Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC)
Deposit date:2011-01-09
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011

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PDB entries from 2024-03-27

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