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4LWH
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BU of 4lwh by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
Descriptor: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
3OJW
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BU of 3ojw by Molmil
Disulfide crosslinked cytochrome P450 reductase inactive
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH-cytochrome P450 reductase
Authors:Xia, C, Hamdane, D, Shen, A, Choi, V, Kasper, C, Zhang, H, Im, S.-C, Waskell, L, Kim, J.-J.P.
Deposit date:2010-08-23
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational Changes of NADPH-Cytochrome P450 Oxidoreductase Are Essential for Catalysis and Cofactor Binding.
J.Biol.Chem., 286, 2011
3OJX
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BU of 3ojx by Molmil
Disulfide crosslinked cytochrome P450 reductase inactive
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Xia, C, Hamdane, D, Shen, A, Choi, V, Kasper, C, Zhang, H, Im, S.-C, Waskell, L, Kim, J.-J.P.
Deposit date:2010-08-23
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational Changes of NADPH-Cytochrome P450 Oxidoreductase Are Essential for Catalysis and Cofactor Binding.
J.Biol.Chem., 286, 2011
1Y12
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BU of 1y12 by Molmil
Structure of a hemolysin-coregulated protein from Pseudomonas aeruginosa
Descriptor: hypothetical protein PA0085
Authors:Cuff, M.E, Zhou, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-11-16
Release date:2005-01-25
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A virulence locus of Pseudomonas aeruginosa encodes a protein secretion apparatus.
Science, 312, 2006
7RAG
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BU of 7rag by Molmil
Structure of the CwlD amidase from Clostridioides difficile in complex with the GerS lipoprotein
Descriptor: 1,2-ETHANEDIOL, Germination-specific N-acetylmuramoyl-L-alanine amidase, Autolysin, ...
Authors:Eckenroth, B.E, Doublie, S.
Deposit date:2021-07-01
Release date:2021-09-08
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A lipoprotein allosterically activates the CwlD amidase during Clostridioides difficile spore formation.
Plos Genet., 17, 2021
8DP7
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BU of 8dp7 by Molmil
Structure of Helicobacter pylori EgtU bound to EGT
Descriptor: Osmoprotection protein, trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Authors:Duncan-Lowey, B, Zhou, W, Kranzusch, P.J.
Deposit date:2022-07-15
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:A microbial transporter of the dietary antioxidant ergothioneine.
Cell, 185, 2022
8DP6
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BU of 8dp6 by Molmil
Crystal structure of Helicobacter pylori EgtU
Descriptor: Osmoprotection protein, SULFATE ION
Authors:Duncan-Lowey, B, Zhou, W, Kranzusch, P.J.
Deposit date:2022-07-15
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A microbial transporter of the dietary antioxidant ergothioneine.
Cell, 185, 2022
8GYD
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BU of 8gyd by Molmil
Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
Descriptor: (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
Authors:Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X.
Deposit date:2022-09-22
Release date:2023-08-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023
4I0W
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BU of 4i0w by Molmil
Structure of the Clostridium Perfringens CspB protease
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protease CspB, ...
Authors:Adams, C.M, Eckenroth, B.E, Doublie, S.
Deposit date:2012-11-19
Release date:2013-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional analysis of the CspB protease required for Clostridium spore germination.
Plos Pathog., 9, 2013
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
Descriptor: CALCIUM ION, INOSITOL HEXAKISPHOSPHATE, N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide, ...
Authors:Lupardus, P.J, Garcia, K.C.
Deposit date:2010-10-18
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of inhibitors and activity-based probes targeting Clostridium difficile virulence factor TcdB.
Chem.Biol., 17, 2010
5Z1W
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BU of 5z1w by Molmil
Cryo-EM structure of polycystic kidney disease-like channel PKD2L1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystic kidney disease 2-like 1 protein
Authors:Zhang, Y.Q.
Deposit date:2017-12-28
Release date:2018-03-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structure of the polycystic kidney disease-like channel PKD2L1.
Nat Commun, 9, 2018
6MW4
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BU of 6mw4 by Molmil
Structure of pseudoprotease CspC from Clostridioides difficile
Descriptor: Putative germination-specific protease, SULFATE ION
Authors:Eckenroth, B.E, Doublie, S.
Deposit date:2018-10-29
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The CspC pseudoprotease regulates germination of Clostridioides difficile spores in response to multiple environmental signals.
Plos Genet., 15, 2019
6PSL
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BU of 6psl by Molmil
Structure of a N-Me-D-Gln4,D-aza-Thr8,Arg10-teixobactin analogue
Descriptor: CHLORIDE ION, teixobactin analogue
Authors:Nowick, J.S, Yang, H, Pishenko, A, Li, X.
Deposit date:2019-07-12
Release date:2019-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Study of Lactam and Ring-Expanded Analogues of Teixobactin.
J.Org.Chem., 85, 2020
6DBD
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BU of 6dbd by Molmil
Crystal Structure of VHH R326
Descriptor: ACETATE ION, SODIUM ION, nanobody VHH R326
Authors:Brooks, C.L, Toride King, M, Huh, I.
Deposit date:2018-05-03
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.755 Å)
Cite: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
Descriptor: nanobody VHH R303
Authors:Brooks, C.L, Toride King, M, Huh, I.
Deposit date:2018-05-02
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6DBE
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BU of 6dbe by Molmil
Crystal Structure of VHH R330
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, nanobody VHH R303
Authors:Brooks, C.L, Toride King, M, Huh, I.
Deposit date:2018-05-03
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: InlB specific VHH R303, Listeria virulence factor InlB
Authors:Brooks, C.L, Toride King, M, Huh, I.
Deposit date:2018-05-03
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: Internalin B, VHH R303
Authors:Brooks, C.L, Toride King, M, Huh, I.
Deposit date:2018-05-03
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
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