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5FV8
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BU of 5fv8 by Molmil
Structure of cJun-FosW coiled coil complex.
分子名称: CJUN, FOSW, GLYCEROL, ...
著者Zaccai, N.R, Mason, J.M, Brady, R.L.
登録日2016-02-03
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Helix-Constrained Fos-Based Peptides Inhibit Oncogenic Activator Protein-1 and Cancer Cell Proliferation
To be Published
4RW6
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BU of 4rw6 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor
分子名称: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
著者Frey, K.M, Anderson, K.S.
登録日2014-12-01
公開日2015-04-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.631 Å)
主引用文献Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
4RW9
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BU of 4rw9 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor
分子名称: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
著者Frey, K.M, Anderson, K.S.
登録日2014-12-01
公開日2015-04-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.986 Å)
主引用文献Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
4RW7
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BU of 4rw7 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor
分子名称: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
著者Frey, K.M, Anderson, K.S.
登録日2014-12-01
公開日2015-04-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.014 Å)
主引用文献Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
6O1E
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BU of 6o1e by Molmil
The crystal structure of human MORC3 ATPase-CW in complex with AMPPNP
分子名称: MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Klein, B.J, Zhang, Y, Kutateladze, T.G.
登録日2019-02-19
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Mechanism for autoinhibition and activation of the MORC3 ATPase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2DA1
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BU of 2da1 by Molmil
Solution structure of the first homeobox domain of AT-binding transcription factor 1 (ATBF1)
分子名称: Alpha-fetoprotein enhancer binding protein
著者Ohnishi, S, Kigawa, T, Tomizawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-13
公開日2006-06-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the first homeobox domain of AT-binding transcription factor 1 (ATBF1)
To be Published
3EWN
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BU of 3ewn by Molmil
Crystal structure of a THiJ/PfpI family protein from Pseudomonas syringae
分子名称: GLYCEROL, ThiJ/PfpI family protein
著者Sugadev, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-10-15
公開日2008-11-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of a THiJ/PfpI family protein from Pseudomonas syringae
To be Published
2NX4
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BU of 2nx4 by Molmil
The Crystal Structure of athe Putative TetR-family transcriptional regulator Rha06780 from Rhodococcus sp. Rha1.
分子名称: Transcriptional regulator, TetR family protein
著者Zhang, R, Evdokimova, E, Kudritskam, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-11-16
公開日2006-12-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of a TetR-family transcriptional regulator from Rhodococcus sp.
To be Published, 2006
5FFX
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BU of 5ffx by Molmil
S. aureus MepR G34K Mutant
分子名称: GLYCEROL, MarR family regulatory protein, SULFATE ION
著者Newman, C.E, Birukou, I, Brennan, R.G.
登録日2015-12-19
公開日2016-12-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献S. aureus MepR G34K Mutant
To Be Published
6GZ0
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BU of 6gz0 by Molmil
Crystal Structure of the LeuO Effector Binding Domain
分子名称: CHLORIDE ION, HTH-type transcriptional regulator LeuO, SULFATE ION
著者Fragel, S, Montada, A.M, Baumann, U, Schacherl, M, Schnetz, K.
登録日2018-07-02
公開日2019-06-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Characterization of the pleiotropic LysR-type transcription regulator LeuO of Escherichia coli.
Nucleic Acids Res., 47, 2019
6GES
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BU of 6ges by Molmil
Crystal structure of ERK1 covalently bound to SM1-71
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ...
著者Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-04-27
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
4YC6
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BU of 4yc6 by Molmil
CDK1/CKS1
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1
著者Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
登録日2015-02-19
公開日2015-05-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
7ZW0
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BU of 7zw0 by Molmil
FAP-80S Complex - Rotated state
分子名称: 18S ribosomal RNA (RDN18-1), 25S ribosomal RNA (RDN25-1), 40S ribosomal protein S0-A, ...
著者Ikeuchi, K, Buschauer, R, Berninghausen, O, Becker, T, Beckmann, R.
登録日2022-05-17
公開日2022-10-05
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Sensing of individual stalled 80S ribosomes by Fap1 for nonfunctional rRNA turnover.
Mol.Cell, 82, 2022
5HOB
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BU of 5hob by Molmil
p73 homo-tetramerization domain mutant I
分子名称: MAGNESIUM ION, Tumor protein p73
著者Coutandin, D, Krojer, T, Salah, E, Mathea, S, Knapp, S, Dotsch, V.
登録日2016-01-19
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.220013 Å)
主引用文献Structural basis of p63/p73 hetero-tetramerization
To Be Published
5HS5
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BU of 5hs5 by Molmil
Crystal structure of Staphylococcus aureus SarX
分子名称: HTH-type transcriptional regulator SarX
著者Zhang, F, Song, Y, Li, X, Teng, M.K.
登録日2016-01-25
公開日2017-02-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of Staphylococcus aureus SarX
To Be Published
5HOC
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BU of 5hoc by Molmil
p73 homo-tetramerization domain mutant II
分子名称: Tumor protein p73
著者Coutandin, D, Krojer, T, Salah, E, Mathea, S, Sumyk, M, Knapp, S, Dotsch, V.
登録日2016-01-19
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36007786 Å)
主引用文献Mechanism of TAp73 inhibition by Delta Np63 and structural basis of p63/p73 hetero-tetramerization.
Cell Death Differ., 23, 2016
2P81
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BU of 2p81 by Molmil
Engrailed homeodomain helix-turn-helix motif
分子名称: Segmentation polarity homeobox protein engrailed
著者Religa, T.L.
登録日2007-03-21
公開日2007-06-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The helix-turn-helix motif as an ultrafast independently folding domain: The pathway of folding of Engrailed homeodomain.
Proc.Natl.Acad.Sci.Usa, 104, 2007
6D9X
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BU of 6d9x by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, SODIUM ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-04-30
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
7LRQ
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BU of 7lrq by Molmil
Crystal structure of human SFPQ/NONO heterodimer, conserved DBHS region
分子名称: CHLORIDE ION, Non-POU domain-containing octamer-binding protein, Splicing factor, ...
著者Marshall, A.C, Bond, C.S, Mohnen, I.
登録日2021-02-17
公開日2021-05-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Paraspeckle subnuclear bodies depend on dynamic heterodimerisation of DBHS RNA-binding proteins via their structured domains.
J.Biol.Chem., 298, 2022
3FUG
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BU of 3fug by Molmil
Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid
分子名称: (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Bourguet, W.
登録日2009-01-14
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Modulating retinoid X receptor with a series of (E)-3-[4-hydroxy-3-(3-alkoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acids and their 4-alkoxy isomers.
J.Med.Chem., 52, 2009
6DAI
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BU of 6dai by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, DIMETHYL SULFOXIDE, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
2PSN
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BU of 2psn by Molmil
Crystal structure of enolase1
分子名称: Alpha-enolase, MAGNESIUM ION, PHOSPHATE ION
著者Hyo, J.K, Seung, J.K, Sang, J.C.
登録日2007-05-07
公開日2008-05-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Enolase1 alpha
To be Published
2DA3
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BU of 2da3 by Molmil
Solution structure of the third homeobox domain of AT-binding transcription factor 1 (ATBF1)
分子名称: Alpha-fetoprotein enhancer binding protein
著者Ohnishi, S, Kigawa, T, Tomizawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-13
公開日2006-06-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the third homeobox domain of AT-binding transcription factor 1 (ATBF1)
To be Published
5OVN
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BU of 5ovn by Molmil
Crystal Structure of FIV Reverse Transcriptase
分子名称: POL protein
著者Galilee, M, Alian, A.
登録日2017-08-29
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.942 Å)
主引用文献The structure of FIV reverse transcriptase and its implications for non-nucleoside inhibitor resistance.
PLoS Pathog., 14, 2018
7TVA
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BU of 7tva by Molmil
Stat5a Core in complex with AK2292
分子名称: DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2022-02-04
公開日2023-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.835 Å)
主引用文献A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023

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件を2024-10-09に公開中

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