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5ZZ2
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BU of 5zz2 by Molmil
Crystal structure of PDE5 in complex with inhibitor LW1634
分子名称: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
著者Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B.
登録日2018-05-29
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
6A2H
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BU of 6a2h by Molmil
Architectural roles of Cren7 in folding crenarchaeal chromatin filament
分子名称: Chromatin protein Cren7, DNA (5'-D(P*AP*AP*TP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*AP*TP*T)-3')
著者Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L.
登録日2018-06-11
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Architectural roles of Cren7 in folding crenarchaeal chromatin filament.
Mol. Microbiol., 111, 2019
6A2I
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BU of 6a2i by Molmil
Architectural roles of Cren7 in folding crenarchaeal chromatin filament
分子名称: Chromatin protein Cren7, DNA (5'-D(*CP*GP*TP*AP*GP*CP*TP*AP*AP*TP*TP*AP*GP*CP*TP*AP*CP*G)-3')
著者Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L.
登録日2018-06-11
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Architectural roles of Cren7 in folding crenarchaeal chromatin filament.
Mol. Microbiol., 111, 2019
6IK4
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BU of 6ik4 by Molmil
A Novel M23 Metalloprotease Pseudoalterin from Deep-sea
分子名称: Elastinolytic metalloprotease, GLYCEROL, ZINC ION
著者Zhao, H.L, Tang, B.L, Yang, J, Chen, X.L, Zhang, Y.Z.
登録日2018-10-14
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A predator-prey interaction between a marine Pseudoalteromonas sp. and Gram-positive bacteria.
Nat Commun, 11, 2020
6ACB
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BU of 6acb by Molmil
Crystal structure of PDE5 in complex with inhibitor LW1805
分子名称: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
著者Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B.
登録日2018-07-26
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
7KWO
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BU of 7kwo by Molmil
rFVIIIFc-VWF-XTEN (BIVV001)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ...
著者Fuller, J.R, Batchelor, J.D.
登録日2020-12-01
公開日2021-03-03
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular determinants of the factor VIII/von Willebrand factor complex revealed by BIVV001 cryo-electron microscopy.
Blood, 137, 2021
5TTC
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BU of 5ttc by Molmil
XFEL structure of influenza A M2 wild type TM domain at high pH in the lipidic cubic phase at room temperature
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
登録日2016-11-02
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7ES2
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a mutant of glycosyktransferase in complex with UDP and Reb D
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, rebaudioside D
著者Zhu, X.
登録日2021-05-08
公開日2021-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ERX
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Glycosyltransferase in complex with UDP and STB
分子名称: GLYCEROL, Glycosyltransferase, Steviolbioside, ...
著者Zhu, X.
登録日2021-05-08
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ES1
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glycosyltransferase in complex with UDP and ST
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, steviol-19-o-glucoside
著者Zhu, X.
登録日2021-05-08
公開日2021-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ERY
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BU of 7ery by Molmil
apo form of the glycosyltransferase
分子名称: Glycosyltransferase
著者Zhu, X.
登録日2021-05-08
公開日2021-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
7ES0
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BU of 7es0 by Molmil
a rice glycosyltransferase in complex with UDP and REX
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ...
著者Zhu, X.
登録日2021-05-08
公開日2021-12-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Nat Commun, 12, 2021
5UM1
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BU of 5um1 by Molmil
XFEL structure of influenza A M2 wild type TM domain at intermediate pH in the lipidic cubic phase at room temperature
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
登録日2017-01-25
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4G6R
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BU of 4g6r by Molmil
Minimal Hairpin Ribozyme in the Transition State with G8I Variation
分子名称: Loop A Ribozyme strand, Loop A Substrate strand, Loop B Ribozyme Strand, ...
著者Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
登録日2012-07-19
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.832 Å)
主引用文献A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
4G6P
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BU of 4g6p by Molmil
Minimal Hairpin Ribozyme in the Precatalytic State with A38P Variation
分子名称: COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ...
著者Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
登録日2012-07-19
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.641 Å)
主引用文献A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
4G6S
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BU of 4g6s by Molmil
Minimal Hairpin Ribozyme in the Transition State with A38P Variation
分子名称: COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ...
著者Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
登録日2012-07-19
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
6LBI
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BU of 6lbi by Molmil
Crystal Structure of FOXO1-DBD homodimer bound to a palindromic DNA sequence
分子名称: Forkhead box protein O1, IRE0
著者Li, J, Dai, S.Y, Chen, Y.H.
登録日2019-11-14
公開日2021-02-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.067 Å)
主引用文献Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
4PY1
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BU of 4py1 by Molmil
Crystal structure of Tyk2 in complex with compound 15, 6-((2,5-dimethoxyphenyl)thio)-3-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
分子名称: 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine, Non-receptor tyrosine-protein kinase TYK2
著者Han, S, Knafels, J.D.
登録日2014-03-25
公開日2014-09-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold.
Bioorg.Med.Chem.Lett., 24, 2014
8ENZ
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BU of 8enz by Molmil
Crystal structure of alpha-COPI-WD40 domain K15A mutant.
分子名称: ACETYL GROUP, Putative coatomer subunit alpha
著者Dey, D, Hasan, S.S.
登録日2022-09-30
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8ENY
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BU of 8eny by Molmil
Crystal structure of alpha-COPI-WD40 domain R13A mutant.
分子名称: ACETYL GROUP, Putative coatomer subunit alpha
著者Dey, D, Hasan, S.S.
登録日2022-09-30
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8ENX
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BU of 8enx by Molmil
Crystal structure of beta'-COPI-WD40 domain Y33A mutant in complex with SARS-CoV-2 clientized spike tail heptapeptide.
分子名称: Clientized spike tail heptapeptide, Coatomer subunit beta'
著者Dey, D, Hasan, S.S.
登録日2022-09-30
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8EO0
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BU of 8eo0 by Molmil
Crystal structure of alpha-COPI WD40 domain R300A mutant.
分子名称: ACETYL GROUP, Putative coatomer subunit alpha
著者Dey, D, Hasan, S.S.
登録日2022-10-01
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8ENS
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BU of 8ens by Molmil
Crystal structure of beta'-COPI-WD40 domain in complex with SARS-CoV-2 spike tail hepta-peptide
分子名称: Coatomer subunit beta', spike tail hepta-peptide
著者Dey, D, Hasan, S.S.
登録日2022-09-30
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8ENW
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BU of 8enw by Molmil
Crystal structure of beta'-COPI-WD40 domain in complex with SARS-CoV-2 clientized spike tail heptapeptide.
分子名称: 1,2-ETHANEDIOL, Clientized spike tail peptide, Coatomer subunit beta'
著者Dey, D, Hasan, S.S.
登録日2022-09-30
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
4I51
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BU of 4i51 by Molmil
Methyltransferase domain of HUMAN EUCHROMATIC HISTONE METHYLTRANSFERASE 1, mutant Y1211A
分子名称: GLYCEROL, H3K9 NE-ALLYL PEPTIDE, Histone-lysine N-methyltransferase EHMT1, ...
著者Dong, A, Zeng, H, Walker, J.R, Islam, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Lou, M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-11-28
公開日2012-12-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Defining efficient enzyme-cofactor pairs for bioorthogonal profiling of protein methylation.
Proc.Natl.Acad.Sci.USA, 110, 2013

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