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4L91
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BU of 4l91 by Molmil
Crystal structure of Human Hsp90 with X29
分子名称: 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Li, J, Ren, J, Yang, M, Xiong, B, He, J.
登録日2013-06-18
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
4L94
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BU of 4l94 by Molmil
Crystal structure of Human Hsp90 with S46
分子名称: (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha
著者Li, J, Ren, J, Yang, M, Xiong, B, He, J.
登録日2013-06-18
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
3OJX
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BU of 3ojx by Molmil
Disulfide crosslinked cytochrome P450 reductase inactive
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xia, C, Hamdane, D, Shen, A, Choi, V, Kasper, C, Zhang, H, Im, S.-C, Waskell, L, Kim, J.-J.P.
登録日2010-08-23
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational Changes of NADPH-Cytochrome P450 Oxidoreductase Are Essential for Catalysis and Cofactor Binding.
J.Biol.Chem., 286, 2011
3OJW
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BU of 3ojw by Molmil
Disulfide crosslinked cytochrome P450 reductase inactive
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH-cytochrome P450 reductase
著者Xia, C, Hamdane, D, Shen, A, Choi, V, Kasper, C, Zhang, H, Im, S.-C, Waskell, L, Kim, J.-J.P.
登録日2010-08-23
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformational Changes of NADPH-Cytochrome P450 Oxidoreductase Are Essential for Catalysis and Cofactor Binding.
J.Biol.Chem., 286, 2011
5Z1W
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BU of 5z1w by Molmil
Cryo-EM structure of polycystic kidney disease-like channel PKD2L1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystic kidney disease 2-like 1 protein
著者Zhang, Y.Q.
登録日2017-12-28
公開日2018-03-28
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structure of the polycystic kidney disease-like channel PKD2L1.
Nat Commun, 9, 2018
7RAG
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BU of 7rag by Molmil
Structure of the CwlD amidase from Clostridioides difficile in complex with the GerS lipoprotein
分子名称: 1,2-ETHANEDIOL, Germination-specific N-acetylmuramoyl-L-alanine amidase, Autolysin, ...
著者Eckenroth, B.E, Doublie, S.
登録日2021-07-01
公開日2021-09-08
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A lipoprotein allosterically activates the CwlD amidase during Clostridioides difficile spore formation.
Plos Genet., 17, 2021
8DP6
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BU of 8dp6 by Molmil
Crystal structure of Helicobacter pylori EgtU
分子名称: Osmoprotection protein, SULFATE ION
著者Duncan-Lowey, B, Zhou, W, Kranzusch, P.J.
登録日2022-07-15
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A microbial transporter of the dietary antioxidant ergothioneine.
Cell, 185, 2022
8DP7
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BU of 8dp7 by Molmil
Structure of Helicobacter pylori EgtU bound to EGT
分子名称: Osmoprotection protein, trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
著者Duncan-Lowey, B, Zhou, W, Kranzusch, P.J.
登録日2022-07-15
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献A microbial transporter of the dietary antioxidant ergothioneine.
Cell, 185, 2022
3PA8
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BU of 3pa8 by Molmil
Structure of the C. difficile TcdB cysteine protease domain in complex with a peptide inhibitor
分子名称: CALCIUM ION, INOSITOL HEXAKISPHOSPHATE, N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide, ...
著者Lupardus, P.J, Garcia, K.C.
登録日2010-10-18
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational design of inhibitors and activity-based probes targeting Clostridium difficile virulence factor TcdB.
Chem.Biol., 17, 2010
4I0W
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BU of 4i0w by Molmil
Structure of the Clostridium Perfringens CspB protease
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Protease CspB, ...
著者Adams, C.M, Eckenroth, B.E, Doublie, S.
登録日2012-11-19
公開日2013-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional analysis of the CspB protease required for Clostridium spore germination.
Plos Pathog., 9, 2013
8GYD
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BU of 8gyd by Molmil
Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
分子名称: (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme
著者Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X.
登録日2022-09-22
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023
6MW4
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BU of 6mw4 by Molmil
Structure of pseudoprotease CspC from Clostridioides difficile
分子名称: Putative germination-specific protease, SULFATE ION
著者Eckenroth, B.E, Doublie, S.
登録日2018-10-29
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The CspC pseudoprotease regulates germination of Clostridioides difficile spores in response to multiple environmental signals.
Plos Genet., 15, 2019
6DBD
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BU of 6dbd by Molmil
Crystal Structure of VHH R326
分子名称: ACETATE ION, SODIUM ION, nanobody VHH R326
著者Brooks, C.L, Toride King, M, Huh, I.
登録日2018-05-03
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6DBA
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BU of 6dba by Molmil
Crystal Structure of VHH R303
分子名称: nanobody VHH R303
著者Brooks, C.L, Toride King, M, Huh, I.
登録日2018-05-02
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6PSL
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BU of 6psl by Molmil
Structure of a N-Me-D-Gln4,D-aza-Thr8,Arg10-teixobactin analogue
分子名称: CHLORIDE ION, teixobactin analogue
著者Nowick, J.S, Yang, H, Pishenko, A, Li, X.
登録日2019-07-12
公開日2019-11-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Study of Lactam and Ring-Expanded Analogues of Teixobactin.
J.Org.Chem., 85, 2020
6DBE
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BU of 6dbe by Molmil
Crystal Structure of VHH R330
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, nanobody VHH R303
著者Brooks, C.L, Toride King, M, Huh, I.
登録日2018-05-03
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6DBF
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BU of 6dbf by Molmil
Crystal Structure of VHH R303 in complex with InlB-LRR
分子名称: InlB specific VHH R303, Listeria virulence factor InlB
著者Brooks, C.L, Toride King, M, Huh, I.
登録日2018-05-03
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6DBG
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BU of 6dbg by Molmil
Crystal Structure of VHH R303 in complex with InlB-LRR-IR
分子名称: Internalin B, VHH R303
著者Brooks, C.L, Toride King, M, Huh, I.
登録日2018-05-03
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
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