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2EW5
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BU of 2ew5 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
分子名称: 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE, COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
8J19
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BU of 8j19 by Molmil
Cryo-EM structure of the LY237-bound GPR84 receptor-Gi complex
分子名称: 6-nonylpyridine-2,4-diol, Antibody fragment ScFv16, G-protein coupled receptor 84, ...
著者Liu, H, Yin, W, Xu, H.E.
登録日2023-04-12
公開日2023-06-21
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
8J1A
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BU of 8j1a by Molmil
Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled
分子名称: Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, H, Yin, W, Xu, H.E.
登録日2023-04-12
公開日2023-06-21
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
8J18
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BU of 8j18 by Molmil
Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex
分子名称: (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ...
著者Liu, H, Yin, W, Xu, H.E.
登録日2023-04-12
公開日2023-06-21
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
5EL3
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BU of 5el3 by Molmil
Structure of the KH domain of T-STAR
分子名称: KH domain-containing, RNA-binding, signal transduction-associated protein 3, ...
著者Dominguez, C, Feracci, M.
登録日2015-11-04
公開日2016-01-13
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68.
Nat Commun, 7, 2016
5ELT
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BU of 5elt by Molmil
Structure of the QUA1-KH domain of T-STAR in complex with UAAU RNA
分子名称: KH domain-containing, RNA-binding, signal transduction-associated protein 3, ...
著者Dominguez, C, Feracci, M.
登録日2015-11-05
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68.
Nat Commun, 7, 2016
5EMO
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BU of 5emo by Molmil
Structure of the star domain of T-STAR in complex with AUUAAA RNA
分子名称: KH domain-containing, RNA-binding, signal transduction-associated protein 3, ...
著者Dominguez, C, Feracci, M.
登録日2015-11-06
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68.
Nat Commun, 7, 2016
5ELS
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BU of 5els by Molmil
Structure of the KH domain of T-STAR in complex with AAAUAA RNA
分子名称: KH domain-containing, RNA-binding, signal transduction-associated protein 3, ...
著者Dominguez, C, Feracci, M.
登録日2015-11-05
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.873 Å)
主引用文献Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68.
Nat Commun, 7, 2016
8ITM
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BU of 8itm by Molmil
Cryo-EM structure of GIPR splice variant 2 (SV2) in complex with Gs protein
分子名称: Gastric inhibitory polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, F.H, Hang, K.N, Zhou, Q.T, Shao, L.J, Li, H, Li, W.Z, Lin, S, Dai, A.T, Cai, X.Q, Liu, Y.Y, Xu, Y.N, Feng, W.B, Yang, D.H, Wang, M.W.
登録日2023-03-22
公開日2023-10-18
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Molecular basis of signal transduction mediated by the human GIPR splice variants.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ITL
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BU of 8itl by Molmil
Cryo-EM structure of GIPR splice variant 1 (SV1) in complex with Gs protein
分子名称: Gastric inhibitory polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, F.H, Hang, K.N, Zhou, Q.T, Shao, L.J, Li, H, Li, W.Z, Lin, S, Dai, A.T, Cai, X.Q, Liu, Y.Y, Xu, Y.N, Feng, W.B, Yang, D.H, Wang, M.W.
登録日2023-03-22
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Molecular basis of signal transduction mediated by the human GIPR splice variants.
Proc.Natl.Acad.Sci.USA, 120, 2023
4PP9
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BU of 4pp9 by Molmil
ITK kinase domain with compound 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE)
分子名称: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者Eigenbrot, C, Shia, S.
登録日2014-02-26
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
8J5D
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BU of 8j5d by Molmil
Cryo-EM structure of starch degradation complex of BAM1-LSF1-MDH
分子名称: Beta-amylase 1, chloroplastic, Malate dehydrogenase, ...
著者Guan, Z.Y, Liu, J, Yan, J.J.
登録日2023-04-21
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The LIKE SEX FOUR 1-malate dehydrogenase complex functions as a scaffold to recruit beta-amylase to promote starch degradation.
Plant Cell, 36, 2023
6B21
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BU of 6b21 by Molmil
Crystal structure of AmtB from E. coli bound to TopFluor cardiolipin
分子名称: Ammonia channel, [(2R,5R,11R,14S,24E)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1H-pyrrol-2-yl-kappaN)-5-(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9E)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9E)-octadec-9-enoatato](difluoro)boron
著者Boone, C.D, Laganowsky, A.
登録日2017-09-19
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Allostery revealed within lipid binding events to membrane proteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ELR
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BU of 5elr by Molmil
Structure of the KH-QUA2 domain of T-STAR in complex with AAUAAU RNA
分子名称: KH domain-containing, RNA-binding, signal transduction-associated protein 3, ...
著者Dominguez, C, Feracci, M.
登録日2015-11-05
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68.
Nat Commun, 7, 2016
2H42
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BU of 2h42 by Molmil
Crystal structure of PDE5 in complex with sildenafil
分子名称: 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, ZINC ION, ...
著者Wang, H, Ke, H.
登録日2006-05-23
公開日2006-06-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
2H5E
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BU of 2h5e by Molmil
Crystal structure of E.coli polypeptide release factor RF3
分子名称: GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor RF-3
著者Song, H.W, Zhou, Z.H.
登録日2006-05-26
公開日2007-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献RF3 induces ribosomal conformational changes responsible for dissociation of class I release factors
Cell(Cambridge,Mass.), 129, 2007
4GEV
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BU of 4gev by Molmil
E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase
著者Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M.
登録日2012-08-02
公開日2012-08-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase.
J.Am.Chem.Soc., 134, 2012
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
分子名称: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB3
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BU of 6bb3 by Molmil
Lactate Dehydrogenase in complex with inhibitor 3-((2-chlorophenyl)thio)-6-(6-((4-fluorophenyl)amino)pyridin-2-yl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
分子名称: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Chen, Z, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
4PPA
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BU of 4ppa by Molmil
ITK kinase domain with compound 11 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
分子名称: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Eigenbrot, C, Shia, S.
登録日2014-02-26
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
7FBC
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BU of 7fbc by Molmil
De novo design protein D22 with MBP tag
分子名称: Maltodextrin-binding protein,De novo design protein D22
著者Bin, H.
登録日2021-07-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7FBD
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BU of 7fbd by Molmil
De novo design protein D53 with MBP tag
分子名称: Maltodextrin-binding protein,De novo design protein D53
著者Bin, H.
登録日2021-07-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7FBB
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BU of 7fbb by Molmil
De novo design protein D12 with MBP tag
分子名称: Maltodextrin-binding protein,de novo designed protein D12
著者Bin, H.
登録日2021-07-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
6BB1
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BU of 6bb1 by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
分子名称: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB2
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BU of 6bb2 by Molmil
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
分子名称: (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published

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件を2024-11-06に公開中

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