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9F1I
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BU of 9f1i by Molmil
Crystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen, target bound
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-azanylethoxy)ethoxy]ethanoic acid, Heavy chain rabbit fab, ...
Authors:Halldorsson, S.
Deposit date:2024-04-19
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen.
Sci Rep, 14, 2024
8Y46
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BU of 8y46 by Molmil
Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase bound to L-KDF or L-2,4-DKDF
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, L-2,4-diketo-3-deoxyfuconate, ...
Authors:Akagashi, M, Watanabe, S.
Deposit date:2024-01-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase reveals a unique binding mode as a alpha-furanosyl hemiketal of substrates.
Sci Rep, 14, 2024
9EZ1
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BU of 9ez1 by Molmil
Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3
Descriptor: 1,4a,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ...
Authors:Rochel, N.
Deposit date:2024-04-10
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study.
Biomolecules, 14, 2024
4WKJ
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BU of 4wkj by Molmil
Crystallographic Structure of a Dodecameric RNA-DNA Hybrid
Descriptor: DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), MAGNESIUM ION, RNA (5'-R(*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*C)-3')
Authors:Davis, R.R, Shaban, N.M, Perrino, F.W, Hollis, T.
Deposit date:2014-10-02
Release date:2014-10-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of RNA-DNA duplex provides insight into conformational changes induced by RNase H binding.
Cell Cycle, 14, 2015
3S04
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BU of 3s04 by Molmil
Crystal structure of Escherichia coli type I signal peptidase in complex with an Arylomycin Lipoglycopeptide Antibiotic
Descriptor: 14-methylhexadec-9-enoic acid, Glyco-Arylomycin, Signal peptidase I, ...
Authors:Paetzel, M, Luo, C.
Deposit date:2011-05-13
Release date:2011-10-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Synthesis and characterization of the arylomycin lipoglycopeptide antibiotics and the crystallographic analysis of their complex with signal peptidase.
J.Am.Chem.Soc., 133, 2011
5WMM
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BU of 5wmm by Molmil
Crystal structure of an adenylation domain interrupted by a methylation domain (AMA4) from nonribosomal peptide synthetase TioS
Descriptor: (2S)-2-amino-3-methylbutanoyl (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (S)-phosphate, CALCIUM ION, CHLORIDE ION, ...
Authors:Pang, A.H, Mori, S, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2017-07-30
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for backbone N-methylation by an interrupted adenylation domain.
Nat. Chem. Biol., 14, 2018
5WLP
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BU of 5wlp by Molmil
Solution structure of the pseudo-receiver domain of Atg32
Descriptor: Autophagy-related protein 32
Authors:Xue, X, Pellegrini, M, Ragusa, M.J.
Deposit date:2017-07-27
Release date:2018-07-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A pseudo-receiver domain in Atg32 is required for mitophagy.
Autophagy, 14, 2018
5WYZ
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BU of 5wyz by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2017-01-16
Release date:2017-12-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
5WA9
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BU of 5wa9 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-Ala phosphoramidate substrate complex
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{R})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2017-06-26
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5WEZ
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BU of 5wez by Molmil
Structure of the Tir-CesT effector-chaperone complex
Descriptor: Tir chaperone, Translocated intimin receptor Tir
Authors:Little, D.J, Coombes, B.K.
Deposit date:2017-07-11
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Molecular basis for CesT recognition of type III secretion effectors in enteropathogenic Escherichia coli.
PLoS Pathog., 14, 2018
5WPR
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BU of 5wpr by Molmil
Crystal structure HpiC1 in C2 space group
Descriptor: 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
5W96
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BU of 5w96 by Molmil
Solution structure of phage derived peptide inhibitor of frizzled 7 receptor
Descriptor: Fz7 binding peptide
Authors:Nile, A.H, de Sousa e Melo, F, Mukund, S, Piskol, R, Hansen, S, Zhou, L, Zhang, Y, Fu, Y, Gogol, E.B, Komuves, L.G, Modrusan, Z, Angers, S, Franke, Y, Koth, C, Fairbrother, W.J, Wang, W, de Sauvage, F.J, Hannoush, R.N.
Deposit date:2017-06-22
Release date:2018-04-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
5WJP
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BU of 5wjp by Molmil
Crystal structure of the cyclohexadienyl dehydratase-like solute-binding protein SAR11_1068 from Candidatus Pelagibacter ubique.
Descriptor: Cyclohexadienyl dehydratase
Authors:Clifton, B.E, Jackson, C.J.
Deposit date:2017-07-24
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
5WPP
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BU of 5wpp by Molmil
Crystal structure HpiC1 W73M/K132M
Descriptor: 12-epi-hapalindole C/U synthase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
5WYX
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BU of 5wyx by Molmil
Crystal structure of human TLR8 in complex with CU-CPT8m
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2017-01-16
Release date:2017-12-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
5WA8
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BU of 5wa8 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Ala phosphoramidate substrate complex
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2017-06-26
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5WL6
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BU of 5wl6 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (AncR7)
Descriptor: CHLORIDE ION, Engineered Chalcone Isomerase AncR7
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WPU
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BU of 5wpu by Molmil
Crystal structure HpiC1 Y101S
Descriptor: 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
5WQ4
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BU of 5wq4 by Molmil
Crystal structure of OPTN and linear diubiquitin complex
Descriptor: Optineurin, ubiquitin
Authors:Li, F, Pan, L.
Deposit date:2016-11-23
Release date:2017-12-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the ubiquitin recognition by OPTN (optineurin) and its regulation by TBK1-mediated phosphorylation.
Autophagy, 14, 2018
5WXI
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BU of 5wxi by Molmil
EarP bound with dTDP-rhamnose (soaked)
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, BETA-MERCAPTOETHANOL, EarP, ...
Authors:Sengoku, T, Yokoyama, S, Yanagisawa, T.
Deposit date:2017-01-07
Release date:2018-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP
Nat. Chem. Biol., 14, 2018
5WXJ
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BU of 5wxj by Molmil
Apo EarP
Descriptor: BETA-MERCAPTOETHANOL, EarP, GLYCEROL, ...
Authors:Sengoku, T, Yokoyama, S, Yanagisawa, T.
Deposit date:2017-01-07
Release date:2018-02-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP
Nat. Chem. Biol., 14, 2018
5WXK
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BU of 5wxk by Molmil
EarP bound with domain I of EF-P
Descriptor: BETA-MERCAPTOETHANOL, EarP, Elongation factor P, ...
Authors:Sengoku, T, Yokoyama, S, Yanagisawa, T.
Deposit date:2017-01-07
Release date:2018-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP
Nat. Chem. Biol., 14, 2018
5X33
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BU of 5x33 by Molmil
Leukotriene B4 receptor BLT1 in complex with BIIL260
Descriptor: 4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide, LTB4 receptor,Lysozyme,LTB4 receptor
Authors:Hori, T, Hirata, K, Yamashita, K, Kawano, Y, Yamamoto, M, Yokoyama, S.
Deposit date:2017-02-03
Release date:2018-01-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Na+-mimicking ligands stabilize the inactive state of leukotriene B4receptor BLT1.
Nat. Chem. Biol., 14, 2018
5XUY
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BU of 5xuy by Molmil
Crystal structure of ATG101-ATG13HORMA
Descriptor: Autophagy-related protein 101, Autophagy-related protein 13
Authors:Kim, B.-W, Song, H.K.
Deposit date:2017-06-26
Release date:2018-07-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation.
Autophagy, 14, 2018
5X9B
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BU of 5x9b by Molmil
Crystal structure of the cytosolic domain of human MiD51
Descriptor: Mitochondrial dynamics protein MID51
Authors:Sun, F, Pang, X, Ma, J.
Deposit date:2017-03-06
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:New interfaces on MiD51 for Drp1 recruitment and regulation.
Plos One, 14, 2019

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