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7TVB
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BU of 7tvb by Molmil
Stat5A Core in Complex with AK305
分子名称: GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A
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 (2.653 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
6LZ3
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BU of 6lz3 by Molmil
Structure of cryptochrome in active conformation
分子名称: Cryptochrome2, FLAVIN-ADENINE DINUCLEOTIDE
著者Shao, K, Zhang, X, Zhang, P.
登録日2020-02-18
公開日2020-04-29
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The oligomeric structures of plant cryptochromes.
Nat.Struct.Mol.Biol., 27, 2020
5B7A
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BU of 5b7a by Molmil
SOLUTION STRUCTURE OF LYS37 ACETYLATED HUMAN SUMO1
分子名称: Small ubiquitin-related modifier 1
著者Naik, M.T, Naik, N, Shih, H, Huang, T.
登録日2016-06-05
公開日2017-06-07
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structures Of Human Sumo
To Be Published
8HJB
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BU of 8hjb by Molmil
Crystal structure of Pseudomonas aeruginosa PvrA with coenzyme A
分子名称: COENZYME A, TetR family transcriptional regulator
著者Liang, H, Bartlam, M.
登録日2022-11-23
公開日2023-02-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Regulatory and structural mechanisms of PvrA-mediated regulation of the PQS quorum-sensing system and PHA biosynthesis in Pseudomonas aeruginosa.
Nucleic Acids Res., 51, 2023
2MGN
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BU of 2mgn by Molmil
Solution structure of a G-quadruplex bound to the bisquinolinium compound Phen-DC3
分子名称: 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3', N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide
著者Chung, W.J, Heddi, B, Hamon, F, Teulade-Fichou, M.P, Phan, A.T.
登録日2013-11-01
公開日2014-01-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of a G-quadruplex Bound to the Bisquinolinium Compound Phen-DC3.
Angew.Chem.Int.Ed.Engl., 53, 2014
1RPW
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BU of 1rpw by Molmil
Crystal Structure Of The Multidrug Binding Protein Qacr Bound To The Diamidine Hexamidine
分子名称: 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE, SULFATE ION, Transcriptional regulator qacR
著者Murray, D.S, Schumacher, M.A, Brennan, R.G.
登録日2003-12-03
公開日2004-06-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of QacR-diamidine complexes reveal additional multidrug-binding modes and a novel mechanism of drug charge neutralization.
J.Biol.Chem., 279, 2004
7MYB
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BU of 7myb by Molmil
Structure of proline utilization A with tetrahydrothiophene-2-carboxylate bound in the proline dehydrogenase active site
分子名称: (2R)-thiolane-2-carboxylic acid, (2S)-thiolane-2-carboxylic acid, Bifunctional protein PutA, ...
著者Tanner, J.J, Campbell, A.C.
登録日2021-05-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
7MY9
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BU of 7my9 by Molmil
Structure of proline utilization A with 1,3-dithiolane-2-carboxylate bound in the proline dehydrogenase active site
分子名称: 1,3-dithiolane-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J, Campbell, A.C.
登録日2021-05-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.628 Å)
主引用文献Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
7MYA
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BU of 7mya by Molmil
Structure of proline utilization A with the FAD covalently-modified by 1,3-dithiolane
分子名称: Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Tanner, J.J, Campbell, A.C.
登録日2021-05-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
7MYC
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BU of 7myc by Molmil
Structure of proline utilization A with the FAD covalently modified by tetrahydrothiophene
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J, Campbell, A.C.
登録日2021-05-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
1RKW
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BU of 1rkw by Molmil
CRYSTAL STRUCTURE OF THE MULTIDRUG BINDING TRANSCRIPTIONAL REPRESSOR QACR BOUND TO PENTAMADINE
分子名称: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, SULFATE ION, Transcriptional regulator qacR
著者Murray, D.S, Schumacher, M.A, Brennan, R.G.
登録日2003-11-23
公開日2004-06-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structures of QacR-diamidine complexes reveal additional multidrug-binding modes and a novel mechanism of drug charge neutralization.
J.Biol.Chem., 279, 2004
7NAU
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BU of 7nau by Molmil
Bacterial 30S ribosomal subunit assembly complex state C (Consensus Refinement)
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
登録日2021-01-25
公開日2021-12-08
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
7NAT
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BU of 7nat by Molmil
Bacterial 30S ribosomal subunit assembly complex state A (Consensus refinement)
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
登録日2021-01-25
公開日2021-12-08
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
7NAX
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BU of 7nax by Molmil
Complete Bacterial 30S ribosomal subunit assembly complex state I (Consensus Refinement)
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
登録日2021-01-25
公開日2021-12-08
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
8BYA
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BU of 8bya by Molmil
Cryo-EM structure of SKP1-SKP2-CKS1-CDK2-CyclinA-p27KIP1 Complex
分子名称: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ...
著者Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.
登録日2022-12-12
公開日2023-06-28
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
7NAR
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BU of 7nar by Molmil
Complete Bacterial 30S ribosomal subunit assembly complex state F (+RsgA)(Consensus Refinement)
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
登録日2021-01-25
公開日2021-12-08
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
5QUE
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BU of 5que by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUH
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BU of 5quh by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 2 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUF
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BU of 5quf by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUD
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BU of 5qud by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUB
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BU of 5qub by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 30 seconds at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUG
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BU of 5qug by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 1 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUO
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BU of 5quo by Molmil
HumRadA1 soaked with 0.2 mM indazole in 10% DMSO
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.342 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUC
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BU of 5quc by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 60 seconds at 20 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUI
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BU of 5qui by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 5 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published

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