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8UUN
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BU of 8uun by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the closed conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Geng, Q, Liu, B, Li, F.
登録日2023-11-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUO
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BU of 8uuo by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the open conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
著者Geng, Q, Liu, B, Li, F.
登録日2023-11-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
2MAM
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BU of 2mam by Molmil
Solution structure of the interdigitated double Tudor domain of RBBP1
分子名称: AT-rich interactive domain-containing protein 4A
著者Gong, W, Feng, Y.
登録日2013-07-15
公開日2014-01-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Retinoblastoma-binding protein 1 has an interdigitated double Tudor domain with DNA binding activity.
J.Biol.Chem., 289, 2014
4HLE
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BU of 4hle by Molmil
Compound 21 (1-alkyl-substituted 1,2,4-triazoles)
分子名称: 2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Rouge, L, Wu, P.
登録日2012-10-16
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Cis-Amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 23, 2013
8TZX
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BU of 8tzx by Molmil
Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue dWIZ-1
分子名称: (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, DNA damage-binding protein 1, ...
著者Clifton, M.C, Ma, X, Ornelas, E.
登録日2023-08-28
公開日2024-07-10
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue dWIZ-1
Science, 2024
4DCH
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BU of 4dch by Molmil
Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations
分子名称: (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Greasley, S.E, Hickey, M, Feng, J, Garcia, E.
登録日2012-01-17
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
7E1A
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BU of 7e1a by Molmil
Human bile salt exporter ABCB11 in complex with taurocholate
分子名称: Bile salt export pump, TAUROCHOLIC ACID
著者Wang, L, How, W.T, Chen, Y.
登録日2021-02-01
公開日2022-02-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets.
Cell Res., 32, 2022
6J6Y
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BU of 6j6y by Molmil
FGFR4 D2 - Fab complex
分子名称: Fab Heavy chain, Fab light chain, Fibroblast growth factor receptor 4
著者Takahashi, M, Hanzawa, H.
登録日2019-01-16
公開日2019-08-07
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Preclinical Development of U3-1784, a Novel FGFR4 Antibody Against Cancer, and Avoidance of Its On-target Toxicity.
Mol.Cancer Ther., 18, 2019
5TZY
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BU of 5tzy by Molmil
GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ...
著者Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
登録日2016-11-22
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
3DXF
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BU of 3dxf by Molmil
Crystal structure of the HSCARG R37A mutant
分子名称: NmrA-like family domain-containing protein 1
著者Li, Y, Meng, G, Dai, X, Luo, M, Zheng, X.
登録日2008-07-24
公開日2009-05-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献NADPH is an allosteric regulator of HSCARG
J.Mol.Biol., 387, 2009
6GRF
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BU of 6grf by Molmil
Crystal structure of the tandem DUF26 ectodomain from the Arabidopsis thaliana cysteine-rich receptor-like protein PDLP8.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine-rich repeat secretory protein 15
著者Brandt, B, Hothorn, M.
登録日2018-06-11
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanistic insights into the evolution of DUF26-containing proteins in land plants.
Commun Biol, 2, 2019
5C5K
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BU of 5c5k by Molmil
Structure of the Pfr form of a canonical phytochrome
分子名称: 1,2-ETHANEDIOL, ACETATE ION, BILIVERDINE IX ALPHA, ...
著者Burgie, E.S, Vierstra, R.D.
登録日2015-06-20
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Crystal Structure of Deinococcus Phytochrome in the Photoactivated State Reveals a Cascade of Structural Rearrangements during Photoconversion.
Structure, 24, 2016
4M49
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BU of 4m49 by Molmil
Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2013-08-06
公開日2013-09-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
3DQS
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BU of 3dqs by Molmil
Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(4'-chlorobenzyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2008-07-09
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
3SQ4
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BU of 3sq4 by Molmil
RB69 DNA Polymerase Ternary Complex with dTTP Opposite 2AP (GC rich sequence)
分子名称: 5'-D(*CP*GP*CP*GP*CP*GP*GP*CP*GP*GP*CP*GP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)-3', CALCIUM ION, ...
著者Xia, S, Konigsberg, W.H, Wang, J.
登録日2011-07-04
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
2MVN
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BU of 2mvn by Molmil
Solution structure of eEF1Bdelta CAR domain in TCTP-bound state
分子名称: Elongation factor 1-delta
著者Wu, H, Feng, Y.
登録日2014-10-09
公開日2015-02-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Evolutionarily Conserved Binding of Translationally Controlled Tumor Protein to Eukaryotic Elongation Factor 1B.
J.Biol.Chem., 290, 2015
3SUQ
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BU of 3suq by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dCTP Opposite 2AP (AT rich sequence)
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*G)-3', ...
著者Xia, S, Konigsberg, W.H, Wang, J.
登録日2011-07-11
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
2BFF
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BU of 2bff by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
分子名称: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
著者Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
登録日2004-12-06
公開日2006-02-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
5YET
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BU of 5yet by Molmil
Structure of R354_WT
分子名称: Uncharacterized protein R354
著者Dou, C, Yu, M.J, Gu, Y.J, Cheng, W.
登録日2017-09-19
公開日2018-06-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System.
Iscience, 3, 2018
7W96
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BU of 7w96 by Molmil
Solution structures of a disulfide-rich peptide that can bind KEAP1
分子名称: drp6
著者Fan, S.H, Wu, Y.P, Wu, C.L.
登録日2021-12-09
公開日2022-11-09
実験手法SOLUTION NMR
主引用文献Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7WE3
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BU of 7we3 by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
分子名称: DRP8II
著者Fan, S.H, Wu, Y.P, Wu, C.L.
登録日2021-12-22
公開日2022-11-09
実験手法SOLUTION NMR
主引用文献Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8D
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BU of 7w8d by Molmil
The structure of Deinococcus radiodurans RuvC
分子名称: Crossover junction endodeoxyribonuclease RuvC, MAGNESIUM ION
著者Cheng, K.
登録日2021-12-07
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75016141 Å)
主引用文献Biochemical and Structural Study of RuvC and YqgF from Deinococcus radiodurans.
Mbio, 13, 2022
5Y4Z
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BU of 5y4z by Molmil
Crystal structure of the Zika virus NS3 helicase complex with AMPPNP
分子名称: MANGANESE (II) ION, NS3 helicase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Li, L.
登録日2017-08-06
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural view of the helicase reveals that Zika virus uses a conserved mechanism for unwinding RNA
Acta Crystallogr.,Sect.F, 74, 2018
7WEI
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BU of 7wei by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
分子名称: drp8I
著者Fan, S.H, Wu, Y.P, Wu, C.L.
登録日2021-12-23
公開日2022-11-09
実験手法SOLUTION NMR
主引用文献Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W89
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BU of 7w89 by Molmil
The structure of Deinococcus radiodurans Yqgf
分子名称: Putative pre-16S rRNA nuclease
著者Cheng, K.
登録日2021-12-07
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.500061 Å)
主引用文献Biochemical and Structural Study of RuvC and YqgF from Deinococcus radiodurans.
Mbio, 13, 2022

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