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6AXD
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BU of 6axd by Molmil
Structures of REV1 UBM2 domain complex with ubiquitin and with the first small-molecule that inhibits the REV1 UBM2-ubiquitin interaction
Descriptor: DNA repair protein REV1
Authors:Fujii, N, Vanarotti, M.
Deposit date:2017-09-06
Release date:2018-06-27
Last modified:2018-08-08
Method:SOLUTION NMR
Cite:Structures of REV1 UBM2 Domain Complex with Ubiquitin and with a Small-Molecule that Inhibits the REV1 UBM2-Ubiquitin Interaction.
J. Mol. Biol., 430, 2018
2ZZO
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BU of 2zzo by Molmil
Crystal structure of the complex between GP41 fragment N36 and fusion inhibitor C34/S138A
Descriptor: Transmembrane protein
Authors:Watabe, T, Nakano, H, Nakatsu, T, Kato, H, Fujii, N.
Deposit date:2009-02-20
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystallographic study of an HIV-1 fusion inhibitor with the gp41 S138A substitution
J.Mol.Biol., 392, 2009
3AHA
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BU of 3aha by Molmil
Crystal structure of the complex between gp41 fragments N36 and C34 mutant N126K/E137Q
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Transmembrane protein gp41
Authors:Izumi, K, Nakamura, S, Nakano, H, Shimura, K, Sakagami, Y, Oishi, S, Uchiyama, S, Ohkubo, T, Kobayashi, Y, Fujii, N, Matsuoka, M, Kodama, E.N.
Deposit date:2010-04-22
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization of HIV-1 resistance to a fusion inhibitor, N36, derived from the gp41 amino terminal heptad repeat.
Antiviral Res., 2010
3VKX
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BU of 3vkx by Molmil
Structure of PCNA
Descriptor: 3,5,3'TRIIODOTHYRONINE, CHLORIDE ION, Proliferating cell nuclear antigen, ...
Authors:Hashimoto, H, Hishiki, A, Shimizu, T, Sato, M, Punchihewa, C, Connelly, M, Actis, M, Waddell, B, Pagala, V, Fujii, N.
Deposit date:2011-11-26
Release date:2012-03-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of small molecule proliferating cell nuclear antigen (PCNA) inhibitor that disrupts interactions with PIP-box proteins and inhibits DNA replication
J.Biol.Chem., 287, 2012
4LCD
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BU of 4lcd by Molmil
Structure of an Rsp5xUbxSna3 complex: Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3
Descriptor: E3 ubiquitin-protein ligase RSP5, Protein SNA3, Ubiquitin
Authors:Kamadurai, H.B, Miller, D, Schulman, B.A.
Deposit date:2013-06-21
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3.
Elife, 2, 2013
2Z2T
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BU of 2z2t by Molmil
Crystal structure of the complex between gp41 fragment N36 and fusion inhibitor SC34EK
Descriptor: ACETIC ACID, Fusion inhibitor peptide SC34EK, SULFATE ION, ...
Authors:Nakamura, S, Ohkubo, T, Kobayashi, Y.
Deposit date:2007-05-28
Release date:2008-06-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Intrahelical Salt-bridges in a-Helical Peptide Enhances its Binding to the Target: A New Design for HIV-1 Fusion Inhibitors
To be Published
5B0X
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BU of 5b0x by Molmil
Crystal structure of the CK2a/benzoic acid derivative complex
Descriptor: 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid, Casein kinase II subunit alpha
Authors:Kinoshita, T, Nakanishi, I.
Deposit date:2015-11-13
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors
Bioorg.Med.Chem., 24, 2016
6ASR
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BU of 6asr by Molmil
REV1 UBM2 domain complex with ubiquitin
Descriptor: DNA repair protein REV1, NICKEL (II) ION, Ubiquitin
Authors:Miller, D.J.
Deposit date:2017-08-25
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.356 Å)
Cite:Structures of REV1 UBM2 Domain Complex with Ubiquitin and with a Small-Molecule that Inhibits the REV1 UBM2-Ubiquitin Interaction.
J. Mol. Biol., 430, 2018
3AXW
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BU of 3axw by Molmil
Crystal structure of human CK2alpha complexed with a potent inhibitor
Descriptor: 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid, Casein kinase II subunit alpha
Authors:Kinoshita, T, Nakanishi, I.
Deposit date:2011-04-18
Release date:2012-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Novel Potent Protein Kinase CK2 (CK2) Inhibitors with Phenyl-azole Scaffolds
J.Med.Chem., 55, 2012
3WGW
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BU of 3wgw by Molmil
Structure of PCNA bound to a small molecule inhibitor
Descriptor: 4-{4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol, Proliferating cell nuclear antigen, SULFATE ION
Authors:Hashimoto, H.
Deposit date:2013-08-12
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A small molecule inhibitor of monoubiquitinated Proliferating Cell Nuclear Antigen (PCNA) inhibits repair of interstrand DNA cross-link, enhances DNA double strand break, and sensitizes cancer cells to cisplatin.
J.Biol.Chem., 289, 2014

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