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6IE7
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BU of 6ie7 by Molmil
Crystal structure of ADCP1 tandem Agenet domain 1-2 in complex with H3K9me2
Descriptor: AMMONIUM ION, Agenet domain-containing protein, H3K9me2 peptide
Authors:Zhao, S, Zhang, B, Li, H.
Deposit date:2018-09-13
Release date:2019-01-16
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ADCP1-tandem Agenet domain 1-2 in complex wit h H3K9me2
Cell Res., 29, 2019
2L37
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BU of 2l37 by Molmil
3D solution structure of arginine/glutamate-rich polypeptide Luffin P1 from the seeds of sponge gourd (Luffa cylindrical)
Descriptor: Ribosome-inactivating protein luffin P1
Authors:Ng, Y.M, Yang, Y, Sze, K.H, Zhang, X, Zheng, Y.T, Shaw, P.C.
Deposit date:2010-09-08
Release date:2011-01-19
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structural characterization and anti-HIV-1 activities of arginine/glutamate-rich polypeptide Luffin P1 from the seeds of sponge gourd (Luffa cylindrical).
J.Struct.Biol., 2010
6IJI
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BU of 6iji by Molmil
Crystal structure of PDE10 in complex with inhibitor 2b
Descriptor: 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B.
Deposit date:2018-10-10
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
8Y0Y
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BU of 8y0y by Molmil
Cryo-EM structure of the 123-316 scDb/PT-RBD complex
Descriptor: 123-316 scDb, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Jia, G.W, Tong, Z, Tong, J.Y, Su, Z.M.
Deposit date:2024-01-23
Release date:2024-07-17
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
5GMH
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BU of 5gmh by Molmil
Crystal structure of monkey TLR7 in complex with R848
Descriptor: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2016-07-14
Release date:2016-11-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA
Immunity, 45, 2016
5GY1
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BU of 5gy1 by Molmil
Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellotriose
Descriptor: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Jeng, W.Y, Liu, C.I, Wang, A.H.J.
Deposit date:2016-09-21
Release date:2017-09-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Chembiochem, 20, 2019
7UQM
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BU of 7uqm by Molmil
Pathogenesis related 10-10 papaverine complex
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, Pathogenesis Related 10-10 protein
Authors:Carr, S.C, Ng, K.K.S.
Deposit date:2022-04-19
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
4FXQ
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BU of 4fxq by Molmil
Full-length Certhrax toxin from Bacillus cereus in complex with Inhibitor P6
Descriptor: 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one, CHLORIDE ION, Putative ADP-ribosyltransferase Certhrax, ...
Authors:Visschedyk, D.D, Dimov, S, Kimber, M.S, Park, H.W, Merrill, A.R.
Deposit date:2012-07-03
Release date:2012-09-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9599 Å)
Cite:Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus.
J.Biol.Chem., 287, 2012
5TRI
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BU of 5tri by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, NS5B RNA-DEPENDENT RNA POLYMERASE, ...
Authors:Sheriff, S.
Deposit date:2016-10-26
Release date:2016-11-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and initial optimization of alkoxyanthranilic acid derivatives as inhibitors of HCV NS5B polymerase.
Bioorg. Med. Chem. Lett., 27, 2017
6UE3
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BU of 6ue3 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with PC (JZ01-15)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NS3 protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-09-20
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
3W13
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BU of 3w13 by Molmil
Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alphact peptide(693-719) and FAB 83-7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
Authors:Lawrence, M.C, Smith, B.J, Brzozowski, A.M.
Deposit date:2012-11-06
Release date:2013-01-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.303 Å)
Cite:How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
3BDM
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BU of 3bdm by Molmil
yeast 20S proteasome:glidobactin A-complex
Descriptor: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Dudler, R, Kaiser, M.
Deposit date:2007-11-15
Release date:2008-04-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism
Nature, 452, 2008
6UKH
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BU of 6ukh by Molmil
HhaI endonuclease in Complex with DNA in space group P41212 (pH 6.0)
Descriptor: CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*G)-3'), ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2019-10-04
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
7L62
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BU of 7l62 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with L-fucose-(alpha 1-2)-D-galactose-(beta1-4)-D-glucose
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
6HRZ
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BU of 6hrz by Molmil
EthR2 in complex with compound 4 (BDM72170)
Descriptor: 1-(1,3-benzothiazol-2-yl)guanidine, Probable transcriptional regulatory protein
Authors:Wintjens, R, Wohlkonig, A, Tanina, A.
Deposit date:2018-09-28
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
1WD4
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BU of 1wd4 by Molmil
Crystal structure of arabinofuranosidase complexed with arabinose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-L-arabinofuranose, alpha-L-arabinofuranosidase B
Authors:Miyanaga, A, Koseki, T, Matsuzawa, H, Wakagi, T, Shoun, H, Fushinobu, S.
Deposit date:2004-05-11
Release date:2004-09-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of a family 54 alpha-L-arabinofuranosidase reveals a novel carbohydrate-binding module that can bind arabinose
J.Biol.Chem., 279, 2004
8WZO
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BU of 8wzo by Molmil
Parkin in complex with phospho NEDD8
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase parkin, NEDD8, ...
Authors:Lenka, D.R, Kumar, A.
Deposit date:2023-11-02
Release date:2024-09-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Parkin in complex with phospho NEDD8
Structure
7L63
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BU of 7l63 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with L-fucose-(alpha 1-2)-D-galactose-(beta1-4)-D-glucose
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
4GNF
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BU of 4gnf by Molmil
Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3 peptide 1-15
Descriptor: Histone H3.3, Histone-lysine N-methyltransferase NSD3, ZINC ION
Authors:Li, F, He, C, Wu, J, Shi, Y.
Deposit date:2012-08-17
Release date:2013-01-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
8XFI
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BU of 8xfi by Molmil
High-resolution structure of the siderophore periplasmic binding protein FtsB from Streptococcus pyogenes with ferrioxamine E bound (crystal form 2)
Descriptor: (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, CHLORIDE ION, FE (III) ION, ...
Authors:Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K.
Deposit date:2023-12-13
Release date:2024-10-09
Last modified:2024-12-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for the ligand promiscuity of the hydroxamate siderophore binding protein FtsB from Streptococcus pyogenes.
Structure, 32, 2024
3AZS
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BU of 3azs by Molmil
Diverse Substrates Recognition Mechanism Revealed by Thermotoga maritima Cel5A Structures in Complex with Mannotriose
Descriptor: Endoglucanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
Authors:Wu, T.H, Huang, C.H, Ko, T.P, Lai, H.L, Ma, Y, Chen, C.C, Cheng, Y.S, Liu, J.R, Guo, R.T.
Deposit date:2011-05-30
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Diverse substrate recognition mechanism revealed by Thermotoga maritima Cel5A structures in complex with cellotetraose, cellobiose and mannotriose
Biochim.Biophys.Acta, 1814, 2011
4G8T
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BU of 4g8t by Molmil
Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target EFI-502312, with sodium and sulfate bound, ordered loop
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-07-23
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target efi-502312, with sodium and sulfate bound, ordered loop
TO BE PUBLISHED
7Q3N
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BU of 7q3n by Molmil
Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ...
Authors:Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
Deposit date:2021-10-28
Release date:2022-03-16
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
1WM2
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BU of 1wm2 by Molmil
Crystal structure of human SUMO-2 protein
Descriptor: Ubiquitin-like protein SMT3B
Authors:Huang, W.-C, Ko, T.-P, Li, S.S.-L, Wang, A.H.-J.
Deposit date:2004-07-02
Release date:2004-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of the human SUMO-2 protein at 1.6 A and 1.2 A resolution: implication on the functional differences of SUMO proteins
Eur.J.Biochem., 271, 2004
6HYC
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BU of 6hyc by Molmil
The structure of full-length human phenylalanine hydroxylase in complex with the cofactor and negative regulator tetrahydrobiopterin
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, Phenylalanine-4-hydroxylase
Authors:Alcorlo Pages, M, Flydal, I.M.
Deposit date:2018-10-19
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Structure of full-length human phenylalanine hydroxylase in complex with tetrahydrobiopterin.
Proc.Natl.Acad.Sci.USA, 116, 2019

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