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3RO6
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BU of 3ro6 by Molmil
Crystal structure of Dipeptide Epimerase from Methylococcus capsulatus complexed with Mg ion
分子名称: GLYCEROL, MAGNESIUM ION, Putative chloromuconate cycloisomerase, ...
著者Lukk, T, Sakai, A, Song, L, Gerlt, J.A, Nair, S.K.
登録日2011-04-25
公開日2011-05-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
2ME3
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BU of 2me3 by Molmil
HIV-1 gp41 clade C Membrane Proximal External Region peptide in DPC micelle
分子名称: Envelope glycoprotein gp160
著者Sun, Z.J, Wagner, G, Reinherz, E.L, Kim, M, Song, L, Choi, J, Cheng, Y, Chowdhury, B, Bellot, G, Shih, W.
登録日2013-09-20
公開日2013-10-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Disruption of Helix-Capping Residues 671 and 674 Reveals a Role in HIV-1 Entry for a Specialized Hinge Segment of the Membrane Proximal External Region of gp41.
J.Mol.Biol., 426, 2014
2ME2
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BU of 2me2 by Molmil
HIV-1 gp41 clade C Membrane Proximal External Region peptide in DPC micelle
分子名称: Envelope glycoprotein gp160
著者Sun, Z.J, Wagner, G, Reinherz, E.L, Kim, M, Song, L, Choi, J, Cheng, Y, Chowdhury, B, Bellot, G, Shih, W.
登録日2013-09-20
公開日2013-10-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Disruption of Helix-Capping Residues 671 and 674 Reveals a Role in HIV-1 Entry for a Specialized Hinge Segment of the Membrane Proximal External Region of gp41.
J.Mol.Biol., 426, 2014
2ME4
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BU of 2me4 by Molmil
HIV-1 gp41 clade C Membrane Proximal External Region peptide in DPC micelle
分子名称: Envelope glycoprotein gp160
著者Sun, Z.J, Wagner, G, Reinherz, E.L, Kim, M, Song, L, Choi, J, Cheng, Y, Chowdhury, B, Bellot, G, Shih, W.
登録日2013-09-20
公開日2013-10-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Disruption of Helix-Capping Residues 671 and 674 Reveals a Role in HIV-1 Entry for a Specialized Hinge Segment of the Membrane Proximal External Region of gp41.
J.Mol.Biol., 426, 2014
2ME1
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BU of 2me1 by Molmil
HIV-1 gp41 clade B double alanine mutant Membrane Proximal External Region peptide in DPC micelle
分子名称: Gp41
著者Sun, Z.J, Wagner, G, Reinherz, E.L, Kim, M, Song, L, Choi, J, Cheng, Y, Chowdhury, B, Bellot, G, Shih, W.
登録日2013-09-20
公開日2013-10-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Disruption of Helix-Capping Residues 671 and 674 Reveals a Role in HIV-1 Entry for a Specialized Hinge Segment of the Membrane Proximal External Region of gp41.
J.Mol.Biol., 426, 2014
2MC7
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BU of 2mc7 by Molmil
Structure of Salmonella MgtR
分子名称: Regulatory peptide
著者Jean-Francois, F, Dai, J, Yu, L, Myrick, A, Rubin, E, Fajer, P, Song, L, Zhou, H, Cross, T.
登録日2013-08-15
公開日2013-10-30
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献Binding of MgtR, a Salmonella Transmembrane Regulatory Peptide, to MgtC, a Mycobacterium tuberculosis Virulence Factor: A Structural Study.
J.Mol.Biol., 426, 2014
5AC3
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BU of 5ac3 by Molmil
Crystal structure of PAM12A
分子名称: ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE
著者Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B.
登録日2015-08-11
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
8Q71
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BU of 8q71 by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67
分子名称: (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
著者Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P.
登録日2023-08-15
公開日2023-12-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.322 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability.
J.Med.Chem., 66, 2023
6AVJ
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BU of 6avj by Molmil
Crystal structure of human Mitochondrial inner NEET protein (MiNT)/CISD3
分子名称: CDGSH iron-sulfur domain-containing protein 3, mitochondrial, FE2/S2 (INORGANIC) CLUSTER
著者Lipper, C.H, Karmi, O, Sohn, Y.S, Darash-Yahana, M, Lammert, H, Song, L, Liu, A, Mittler, R, Nechushtai, R, Onuchic, J.N, Jennings, P.A.
登録日2017-09-02
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the human monomeric NEET protein MiNT and its role in regulating iron and reactive oxygen species in cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4DBR
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BU of 4dbr by Molmil
Myosin VI D179Y (MD) pre-powerstroke state
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Pylypenko, O, Sweeney, H.L, Houdusse, A.
登録日2012-01-16
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mutations in myosin VI that cause a loss of coordination between heads provide insights into the structural changes underlying force generation and the importance of gating
To be Published
4DBP
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BU of 4dbp by Molmil
Myosin VI nucleotide-free (MDINSERT2) D179Y crystal structure
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin, ...
著者Pylypenko, O, Sweeney, H.L, Houdusse, A.
登録日2012-01-16
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutations in myosin VI that cause a loss of coordination between heads provide insights into the structural changes underlying force generation and the importance of gating
To be Published
4DBQ
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BU of 4dbq by Molmil
MYOSIN VI D179Y (MD-INSERT2-CAM, DELTA-INSERT1) post-rigor state
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ...
著者Pylypenko, O, Sweeney, H.L, Houdusse, A.
登録日2012-01-16
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mutations in myosin VI that cause a loss of coordination between heads provide insights into the structural changes underlying force generation and the importance of gating
To be Published
7E74
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BU of 7e74 by Molmil
Crystal structure of ENL YEATS domain T3 mutant in complex with histone H3 acetylation at K27
分子名称: ALA-ALA-ARG-ALY, Protein ENL
著者Li, Y, Li, H.
登録日2021-02-25
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022
7X8G
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BU of 7x8g by Molmil
Crystal structure of ENL T1(H116P) mutant YEATS domain in complex with histone H3 acetylation at K27
分子名称: H3K27ac(24-27) peptide, Protein ENL
著者Li, Y, Peng, B, Li, H.
登録日2022-03-12
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022
7X8B
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BU of 7x8b by Molmil
Crystal structure of ENL T1 mutant YEATS domain in complex with histone H3 acetylation at K27
分子名称: H3K27ac(24-27) peptide, Protein ENL
著者Li, Y, Peng, B, Li, H.
登録日2022-03-11
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022
7X8F
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BU of 7x8f by Molmil
Crystal structure of ENL T4 mutant YEATS domain in complex with histone H3 acetylation at K27
分子名称: CHLORIDE ION, H3K27ac(24-27) peptide, Protein ENL
著者Li, Y, Peng, B, Li, H.
登録日2022-03-12
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022
7X88
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BU of 7x88 by Molmil
Crystal structure of ENL YEATS domain T2 mutant in complex with histone H3 acetylation at K27
分子名称: CITRIC ACID, Histone H3K27ac(24-27) peptide, Protein ENL
著者Li, Y.Y, Li, H.T.
登録日2022-03-11
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022
6VZC
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BU of 6vzc by Molmil
Tandem UU:GA mismatch within an RNA helix
分子名称: RNA 28-mer
著者Nikonowicz, E.P, Chang, A.T.
登録日2020-02-28
公開日2020-09-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献2-Amino-1,3-benzothiazole-6-carboxamide Preferentially Binds the Tandem Mismatch Motif r(UY:GA).
Biochemistry, 59, 2020
5MH1
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BU of 5mh1 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas
分子名称: GLYCEROL, MAGNESIUM ION, Natterin-3, ...
著者Weinert, T, Warkentin, E, Pang, G.
登録日2016-11-22
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
5MH3
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BU of 5mh3 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas with K43A mutation
分子名称: GLYCEROL, Natterin-3
著者Weinert, T, Warkentin, E, Pang, G.
登録日2016-11-22
公開日2017-12-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
5MH2
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BU of 5mh2 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas with D22A mutation
分子名称: CHLORIDE ION, GLYCEROL, Natterin-3
著者Weinert, T, Warkentin, E, Peng, G.
登録日2016-11-22
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
5MH0
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BU of 5mh0 by Molmil
Crystal structure of a DM9 domain containing protein from Crassostrea gigas
分子名称: GLYCEROL, Natterin-3
著者Weinert, T, Warkentin, E, Pang, G.
登録日2016-11-22
公開日2017-12-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Front Immunol, 8, 2017
7RRD
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BU of 7rrd by Molmil
IDO1 IN COMPLEX WITH COMPOUND S-1
分子名称: 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A.
登録日2021-08-09
公開日2022-08-24
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Oxetane promise delivered: discovery of long acting IDO1 inhibitors suitable for Q3W oral or parenteral dosing
To Be Published
7RRC
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BU of 7rrc by Molmil
IDO1 IN COMPLEX WITH COMPOUND 14
分子名称: Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide
著者Lesburg, C.A.
登録日2021-08-09
公開日2022-03-16
最終更新日2022-05-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022
7RRB
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BU of 7rrb by Molmil
IDO1 IN COMPLEX WITH COMPOUND 9
分子名称: 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A.
登録日2021-08-09
公開日2022-03-16
最終更新日2022-05-11
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022

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