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6HTY
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BU of 6hty by Molmil
PXR in complex with P2X4 inhibitor compound 25
分子名称: (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hillig, R.C, Puetter, V, Werner, S, Mesch, S, Laux-Biehlmann, A, Braeuer, N, Dahloef, H, Klint, J, ter Laak, A, Pook, E, Neagoe, I, Nubbemeyer, R, Schulz, S.
登録日2018-10-05
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile.
J.Med.Chem., 62, 2019
5N5D
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BU of 5n5d by Molmil
Crystal Structure of the O-Methyltransferase TomG from Streptomyces achromogenes involved in Tomaymycin synthesis in complex with SAM
分子名称: (R,R)-2,3-BUTANEDIOL, GLYCEROL, Methyltransferase, ...
著者Pippel, J, Blankenfeldt, W.
登録日2017-02-13
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Total Biosynthesis of the Pyrrolo[4,2]benzodiazepine Scaffold Tomaymycin on an In Vitro Reconstituted NRPS System.
Cell Chem Biol, 24, 2017
1T5R
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BU of 1t5r by Molmil
STRUCTURE OF THE PANTON-VALENTINE LEUCOCIDIN S COMPONENT FROM STAPHYLOCOCCUS AUREUS
分子名称: LukS-PV
著者Guillet, V, Roblin, P, Keller, D, Prevost, G, Mourey, L.
登録日2004-05-05
公開日2004-08-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of leucotoxin S component: new insight into the Staphylococcal beta-barrel pore-forming toxins.
J.Biol.Chem., 279, 2004
8IXT
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BU of 8ixt by Molmil
Rat Transcobalamin in Complex with Glutathionylcobalamin
分子名称: CHLORIDE ION, COBALAMIN, GLUTATHIONE, ...
著者Bokhove, M, Kumasaka, T.
登録日2023-04-03
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The structure of the rat vitamin B 12 transporter TC and its complex with glutathionylcobalamin.
J.Biol.Chem., 300, 2024
8IXU
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BU of 8ixu by Molmil
Rat Transcobalamin in Complex with Cobalamin
分子名称: CHLORIDE ION, COBALAMIN, NITRATE ION, ...
著者Bokhove, M, Kumasaka, T.
登録日2023-04-03
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The structure of the rat vitamin B 12 transporter TC and its complex with glutathionylcobalamin.
J.Biol.Chem., 300, 2024
4IYC
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BU of 4iyc by Molmil
Structure of the T244A mutant of the PANTON-VALENTINE LEUCOCIDIN component from STAPHYLOCOCCUS AUREUS
分子名称: LukS-PV
著者Maveyraud, L, Guerin, F, Lavnetie, B.J, Prevost, G, Mourey, L.
登録日2013-01-28
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Residues essential for panton-valentine leukocidin s component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface
Plos One, 9, 2014
4J0O
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BU of 4j0o by Molmil
Structure of the Y246A Mutant of the PANTON-VALENTINE LEUCOCIDIN S Component from STAPHYLOCOCCUS AUREUS
分子名称: LukS-PV
著者Maveyraud, L, Laventie, B.J, Prevost, G, Mourey, L.
登録日2013-01-31
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Residues essential for panton-valentine leukocidin s component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface
Plos One, 9, 2014
4IYT
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BU of 4iyt by Molmil
Structure Of The Y184A Mutant Of The PANTON-VALENTINE LEUCOCIDIN S Component From STAPHYLOCOCCUS AUREUS
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LukS-PV
著者Guerin, F, Laventie, B.J, Prevost, G, Mourey, L, Maveyraud, L.
登録日2013-01-29
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Residues essential for panton-valentine leukocidin s component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface
Plos One, 9, 2014
4IYA
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BU of 4iya by Molmil
Structure of the Y250A mutant of the PANTON-VALENTINE LEUCOCIDIN S component from STAPHYLOCOCCUS AUREUS
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, LukS-PV
著者Maveyraud, L, Guerin, F, Laventie, B.J, Prevost, G, Mourey, L.
登録日2013-01-28
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Residues essential for panton-valentine leukocidin s component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface
Plos One, 9, 2014
4IZL
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BU of 4izl by Molmil
Structure Of The N248A Mutant of the PANTON-VALENTINE LEUCOCIDIN S Component from STAPHYLOCOCCUS AUREUS
分子名称: LukS-PV
著者Maveyraud, L, Laventie, B.J, Prevost, G, Mourey, L.
登録日2013-01-30
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Residues essential for panton-valentine leukocidin s component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface
Plos One, 9, 2014
6RZG
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BU of 6rzg by Molmil
Galectin-3C in complex with meta-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.015 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
6RZH
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BU of 6rzh by Molmil
Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.947 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
6RZF
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BU of 6rzf by Molmil
Galectin-3C in complex with ortho-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.016 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
5NMS
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BU of 5nms by Molmil
Hsp21 dodecamer, structural model based on cryo-EM and homology modelling
分子名称: 25.3 kDa heat shock protein, chloroplastic
著者Rutsdottir, G, Harmark, J, Koeck, P.J.B, Hebert, H, Soderberg, C.A.G, Emanuelsson, C.
登録日2017-04-07
公開日2017-05-03
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Structural model of dodecameric heat-shock protein Hsp21: Flexible N-terminal arms interact with client proteins while C-terminal tails maintain the dodecamer and chaperone activity.
J. Biol. Chem., 292, 2017

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