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8BJD
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BU of 8bjd by Molmil
Full length structure of LpMIP with bound inhibitor JK095
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-04
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8BK4
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BU of 8bk4 by Molmil
Full length structure of the apo-state LpMIP.
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Macrophage infectivity potentiator, ...
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-08
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8BK5
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BU of 8bk5 by Molmil
A structure of the truncated LpMIP with bound inhibitor JK095.
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase, SODIUM ION
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-08
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8SKX
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BU of 8skx by Molmil
Solution structure of the model miniprotein HHH_rd4_0518
分子名称: Miniprotein HHH_rd4_0518
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-20
公開日2024-04-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the model miniprotein HHH_rd4_0518
To Be Published
4JL8
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BU of 4jl8 by Molmil
A various kinds of ADP conformations in the Adenylate kinase active site
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLD
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BU of 4jld by Molmil
Crystal Structures of adenylate kinase with 2 ADP's
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
8BH7
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BU of 8bh7 by Molmil
The complex of immature 30S ribosomal subunit with Ribosome maturation factor P (RimP) from Staphylococcus aureus
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Garaeva, N, Fatkhullin, B, Jenner, L, Soufari, H, Yusupov, M, Usachev, K.
登録日2022-10-30
公開日2023-09-20
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (4.23 Å)
主引用文献Ribosome maturation factor P (RimP) from Staphylococcus aureus
Structure, 2023
8SKE
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BU of 8ske by Molmil
Solution structure of the model miniprotein EEHEE_rd4_0642
分子名称: Miniprotein EEHEE_rd4_0642
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-19
公開日2024-04-24
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Solution structure of the model miniprotein EEHEE_rd4_0642
To Be Published
4JMO
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BU of 4jmo by Molmil
Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
分子名称: Cytohesin-2, N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
著者Hoh, F, Rouhana, J.
登録日2013-03-14
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors
J.Med.Chem., 56, 2013
8BJE
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BU of 8bje by Molmil
A structure of the truncated LpMIP with bound inhibitor JK236.
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Peptidyl-prolyl cis-trans isomerase
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-04
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8BJC
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BU of 8bjc by Molmil
Full length structure of the apo-state LpMIP.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-03
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8SKD
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BU of 8skd by Molmil
Solution Structure of the model miniprotein EEHEE_rd4_0871
分子名称: Miniprotein EEHEE_rd4_0871
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-19
公開日2024-04-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of the model miniprotein EEHEE_rd4_0871
To Be Published
8BO0
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BU of 8bo0 by Molmil
Solution structure of Lqq4 toxin from Leiurus quinquestriatus quinquestriatus
分子名称: Alpha-toxin Lqq4
著者Mineev, K.S, Motov, V.V, Vassilevski, A.A, Chernykh, M.A, Kuzmenkov, A.I.
登録日2022-11-14
公開日2023-09-20
最終更新日2023-10-04
実験手法SOLUTION NMR
主引用文献A scorpion toxin affecting sodium channels shows double cis-trans isomerism.
Febs Lett., 597, 2023
6WXK
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BU of 6wxk by Molmil
PHF23 PHD Domain Apo
分子名称: PHD finger protein 23, ZINC ION
著者Vann, K.R, Zhang, J, Zhang, Y, Kutateladze, T.
登録日2020-05-11
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanistic insights into chromatin targeting by leukemic NUP98-PHF23 fusion.
Nat Commun, 11, 2020
3MWV
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BU of 3mwv by Molmil
Crystal structure of HCV NS5B polymerase
分子名称: Genome polyprotein
著者Coulombe, R.
登録日2010-05-06
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B.
J.Am.Chem.Soc., 132, 2010
3MWW
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BU of 3mww by Molmil
Crystal structure of HCV NS5B polymerase
分子名称: 1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1H-indole-6-carboxylic acid, Genome polyprotein, SULFATE ION
著者Coulombe, R.
登録日2010-05-06
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B.
J.Am.Chem.Soc., 132, 2010
6WJB
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BU of 6wjb by Molmil
UDP-GlcNAc C4-epimerase from Pseudomonas protegens in complex with NAD and UDP-GlcNAc
分子名称: NAD-dependent epimerase/dehydratase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Marmont, L.S, Pfoh, R, Robinson, H, Howell, P.L.
登録日2020-04-13
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PelX is a UDP-N-acetylglucosamine C4-epimerase involved in Pel polysaccharide-dependent biofilm formation.
J.Biol.Chem., 295, 2020
8QNF
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BU of 8qnf by Molmil
Crystal structure of the Condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase
分子名称: Condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase, FORMIC ACID, GLYCEROL, ...
著者Karanth, M, Schmelz, S, Kirkpatrick, J, Krausze, J, Scrima, A, Carlomagno, T.
登録日2023-09-26
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain.
Sci Adv, 10, 2024
4JDC
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BU of 4jdc by Molmil
Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis
分子名称: 1-pyrroline-5-carboxylate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lagautriere, T, Bashiri, G, Baker, E.N.
登録日2013-02-24
公開日2013-12-18
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies.
Acta Crystallogr.,Sect.D, 70, 2014
4JLA
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BU of 4jla by Molmil
Crystal Structure of Adenylate kinase with 2 ADP's in the active site
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
3MYA
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BU of 3mya by Molmil
Crystal Structure of HP67 H41F - P61
分子名称: Villin-1
著者Brown, J.W, Farelli, J.D, McKnight, C.J.
登録日2010-05-10
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献On unsatisfied hydrogen bonds in the N-terminal subdomain of villin headpiece.
J.Mol.Biol., 413, 2011
8BPT
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BU of 8bpt by Molmil
Crystal structure of the second bromodomain of BRD5 from Leishmania donovani
分子名称: Bromo domain-containing protein
著者Wilkinson, A.J, Dodson, E.J, Jones, N.G, Borgia, J.
登録日2022-11-17
公開日2023-09-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bromodomain Factor 5 as a Target for Antileishmanial Drug Discovery.
Acs Infect Dis., 9, 2023
8SHM
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BU of 8shm by Molmil
The solution structure of the mini-protein EHEE_rd2_0005
分子名称: Mini-protein EHEE_rd2_0005
著者Houliston, S, Rocklin, G, Arrowsmith, C.H.
登録日2023-04-14
公開日2024-04-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The solution structure of the mini-protein EHEE_rd2_0005
To Be Published
6WW4
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BU of 6ww4 by Molmil
Crystal structure of HERC2 ZZ domain in complex with histone H3 tail
分子名称: GLYCEROL, Histone H3.1,E3 ubiquitin-protein ligase HERC2, ZINC ION
著者Liu, J, Vann, K.R, Kutateladze, T.G.
登録日2020-05-07
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
8B5S
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BU of 8b5s by Molmil
Crystal Structure of P. aeruginosa WaaG in complex with UDP-glucose
分子名称: UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Scaletti, E, Gustafsson Westergren, R, Stenmark, P.
登録日2022-09-24
公開日2023-10-04
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023

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件を2024-07-17に公開中

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