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5T5X
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BU of 5t5x by Molmil
High resolution structure of mouse Cryptochrome 1
分子名称: CHLORIDE ION, Cryptochrome-1
著者Michael, A.K, Tripathi, S, Partch, C.L.
登録日2016-08-31
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Formation of a repressive complex in the mammalian circadian clock is mediated by the secondary pocket of CRY1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8QVU
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BU of 8qvu by Molmil
Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex
分子名称: (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A.
登録日2023-10-18
公開日2023-12-06
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Targeting cancer with small-molecule pan-KRAS degraders.
Science, 385, 2024
6ORU
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BU of 6oru by Molmil
Crystal structure of Bira from S. aureus in complex with a acylsulfamide analogue of biotinyl-5'-AMP
分子名称: Bifunctional ligase/repressor BirA, N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
著者Wilce, M.C.J, Cini, D.
登録日2019-05-01
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Enhancing the stability of the sulfonamide linker of BPL inhibitors
To Be Published
6RX9
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BU of 6rx9 by Molmil
Crystal structure of TetR from Acinetobacter baumannii AYE
分子名称: SULFATE ION, Tetracycline repressor protein class G
著者Tam, H.K, Sumyk, M, Pos, K.M.
登録日2019-06-07
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants
Front Microbiol, 2021
8EVJ
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BU of 8evj by Molmil
CX3CR1 nucleosome bound PU.1 and C/EBPa
分子名称: DNA (167-MER), Histone H2A type 2-C, Histone H2B type 2-E, ...
著者Guan, R, Bai, Y, Lian, T.
登録日2022-10-20
公開日2023-11-01
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
8EVI
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BU of 8evi by Molmil
CX3CR1 nucleosome and PU.1 complex containing disulfide bond mutations
分子名称: DNA (167-MER), Histone H2A type 2-C, Histone H2B type 2-E, ...
著者Lian, T, Guan, R, Bai, Y.
登録日2022-10-20
公開日2023-11-01
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
3B6A
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BU of 3b6a by Molmil
Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with actinorhodin
分子名称: 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid, ActR protein
著者Willems, A.R, Junop, M.S.
登録日2007-10-28
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA.
J.Mol.Biol., 376, 2008
5DV5
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BU of 5dv5 by Molmil
The fatty acid-responsive FadR repressor of Vibrio alginolyticus complex with Palmitoyl-CoA
分子名称: GntR family transcriptional regulator, Palmitoyl-CoA
著者Lin, Y, Li, D.F, Feng, Y.J.
登録日2015-09-21
公開日2016-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Snapshort of Vibrio FadR-ligand complex structure reveals a new mechanism for bacterial fatty acid sensing
To Be Published
5L3F
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BU of 5l3f by Molmil
LSD1-CoREST1 in complex with polymyxin B
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ...
著者Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
登録日2016-04-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
8GPN
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BU of 8gpn by Molmil
Human menin in complex with H3K79Me2 nucleosome
分子名称: DNA (177-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Lin, J, Yu, D, Lam, W.H, Dang, S, Zhai, Y, Li, X.D.
登録日2022-08-26
公開日2023-02-15
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Menin "reads" H3K79me2 mark in a nucleosomal context.
Science, 379, 2023
6YR1
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BU of 6yr1 by Molmil
TetR(D) soaked with Tigecycline I4(1)22
分子名称: CHLORIDE ION, MAGNESIUM ION, TIGECYCLINE, ...
著者Hinrichs, W, Stary, K.
登録日2020-04-18
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献TetR(D) soaked with Tigecycline
to be published
6YR2
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BU of 6yr2 by Molmil
TetR(D) soaked with Tigecycline P4(1)2(1)2
分子名称: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
著者Hinrichs, W, Stary, K.
登録日2020-04-19
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献TetR(D) soaked with Tigecycline
to be published
6RXB
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BU of 6rxb by Molmil
Crystal structure of TetR-Q116A from Acinetobacter baumannii AYE in complex with minocycline
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Tam, H.K, Himpich, S, Pos, K.M.
登録日2019-06-07
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants
Front Microbiol, 2021
3B6C
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BU of 3b6c by Molmil
Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with (S)-DNPA
分子名称: ActII protein, [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid
著者Willems, A.R, Junop, M.S.
登録日2007-10-28
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA.
J.Mol.Biol., 376, 2008
3E4U
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BU of 3e4u by Molmil
Crystal Structure of the Wild-Type Human BCL6 BTB/POZ Domain
分子名称: B-cell lymphoma 6 protein
著者Stead, M.A, Rosbrook, G.O, Hadden, J.M, Trinh, C.H, Carr, S.B, Wright, S.C.
登録日2008-08-12
公開日2008-12-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the wild-type human BCL6 POZ domain.
Acta Crystallogr.,Sect.F, 64, 2008
4LOG
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BU of 4log by Molmil
The crystal structure of the orphan nuclear receptor PNR ligand binding domain fused with MBP
分子名称: Maltose ABC transporter periplasmic protein and NR2E3 protein chimeric construct
著者Tan, M.E, Zhou, X.E, Soon, F.-F, Li, X, Li, J, Yong, E.-L, Melcher, K, Xu, H.E.
登録日2013-07-12
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Crystal Structure of the Orphan Nuclear Receptor NR2E3/PNR Ligand Binding Domain Reveals a Dimeric Auto-Repressed Conformation.
Plos One, 8, 2013
6HRY
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BU of 6hry by Molmil
EthR2 in complex with compound 3 (BDM72719)
分子名称: 1-(6-methylpyridin-2-yl)-3-propyl-urea, Probable transcriptional regulatory protein
著者Wintjens, R, Wohlkonig, A, Tanina, A.
登録日2018-09-28
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
5MYL
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BU of 5myl by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1570606A at 1.72A resolution
分子名称: 2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide, HTH-type transcriptional regulator EthR
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYR
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BU of 5myr by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK735816A at 1.83A resolution
分子名称: 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine, HTH-type transcriptional regulator EthR
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.828 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYW
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BU of 5myw by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound SB-435634 at 1.77A resolution
分子名称: HTH-type transcriptional regulator EthR, ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-30
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
7W27
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BU of 7w27 by Molmil
Crystal structure of BEND3-BEN4-DNA complex
分子名称: BEN domain-containing protein 3, DNA (5'-D(P*GP*GP*AP*CP*CP*CP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*TP*GP*CP*GP*TP*GP*GP*GP*TP*C)-3')
著者Zheng, L, Ren, A.
登録日2021-11-22
公開日2022-02-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Distinct structural bases for sequence-specific DNA binding by mammalian BEN domain proteins.
Genes Dev., 36, 2022
5N0L
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BU of 5n0l by Molmil
The structure of the cofactor binding GAF domain of the nutrient sensor CodY from Clostridium difficile
分子名称: GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE
著者Levdikov, V.M, Blagova, E.V, Wilkinson, A.J, Sonenshein, A.L.
登録日2017-02-03
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Impact of CodY protein on metabolism, sporulation and virulence in Clostridioides difficile ribotype 027.
Plos One, 14, 2019
7QK0
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BU of 7qk0 by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 12a
分子名称: (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ...
著者Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2021-12-17
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
5MYN
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BU of 5myn by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1.56A resolution
分子名称: HTH-type transcriptional regulator EthR, ~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.564 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
7Q94
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Crystal Structure of Agrobacterium tumefaciens NADQ, DNA complex.
分子名称: DNA binding region (31-MER), NADQ transcription factor
著者Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M.
登録日2021-11-11
公開日2022-11-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022

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