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8WLU
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BU of 8wlu by Molmil
Cryo-EM structure of bat RsSHC014 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Wang, X, Qiao, S.
Deposit date:2023-10-01
Release date:2024-07-17
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural determinants of spike infectivity in bat SARS-like coronaviruses RsSHC014 and WIV1.
J.Virol., 98, 2024
4CXQ
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BU of 4cxq by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with substrate KAPA
Descriptor: 1,2-ETHANEDIOL, 7-KETO-8-AMINOPELARGONIC ACID, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ...
Authors:Dai, R, Wilson, D.J, Geders, T.W, Aldrich, C.C, Finzel, B.C.
Deposit date:2014-04-08
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
8WHS
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BU of 8whs by Molmil
Spike Trimer of BA.2.86 in complex with one hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ...
Authors:Yue, C, Liu, P.
Deposit date:2023-09-23
Release date:2024-07-03
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
3DHC
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BU of 3dhc by Molmil
1.3 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homocysteine Bound to The catalytic Metal Center
Descriptor: GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homocysteine, ...
Authors:Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D.
Deposit date:2008-06-17
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures.
Biochemistry, 47, 2008
8WLY
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BU of 8wly by Molmil
Cryo-EM structure of bat WIV1 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Wang, X, Qiao, S.
Deposit date:2023-10-01
Release date:2024-07-17
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structural determinants of spike infectivity in bat SARS-like coronaviruses RsSHC014 and WIV1.
J.Virol., 98, 2024
7FH0
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BU of 7fh0 by Molmil
Crystallographic structure of two neutralizing nanobodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zheng, P, Jin, J.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
6JEQ
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BU of 6jeq by Molmil
Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with beta-cyclodextrin
Descriptor: CALCIUM ION, CHLORIDE ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q.
Deposit date:2019-02-07
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii.
Acta Crystallogr D Struct Biol, 76, 2020
6JGB
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BU of 6jgb by Molmil
Crystal structure of barley exohydrolaseI W286F mutant in complex with methyl 6-thio-beta-gentiobioside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-13
Release date:2020-08-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JGQ
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BU of 6jgq by Molmil
Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 2-thio-beta-sophoroside.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-14
Release date:2020-08-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
8JH0
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BU of 8jh0 by Molmil
Crystal structure of the light-driven sodium pump IaNaR
Descriptor: RETINAL, Xanthorhodopsin
Authors:Hashimoto, T, Kato, K, Tanaka, Y, Yao, M, Kikukawa, T.
Deposit date:2023-05-22
Release date:2023-11-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Multistep conformational changes leading to the gate opening of light-driven sodium pump rhodopsin.
J.Biol.Chem., 299, 2023
3ML0
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BU of 3ml0 by Molmil
Thermostable Penicillin G acylase from Alcaligenes faecalis in tetragonal form
Descriptor: CALCIUM ION, Penicillin G acylase, alpha subunit, ...
Authors:Varshney, N.K, Kumar, R.S, Ignatova, Z, Dodson, E, Suresh, C.G.
Deposit date:2010-04-16
Release date:2010-05-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystallization and X-ray structure analysis of a thermostable penicillin G acylase from Alcaligenes faecalis.
Acta Crystallogr.,Sect.F, 68, 2012
6J40
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BU of 6j40 by Molmil
Structure of C2S2M2-type PSII-FCPII supercomplex from diatom
Descriptor: (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Nagao, R, Kato, K, Shen, J.R, Miyazaki, N, Akita, F.
Deposit date:2019-01-07
Release date:2019-08-07
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.
Nat.Plants, 5, 2019
6JGN
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BU of 6jgn by Molmil
Crystal structure of barley exohydrolaseI W434H in complex with 4'-nitrophenyl thiolaminaribioside
Descriptor: 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-14
Release date:2020-08-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6KOE
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BU of 6koe by Molmil
X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis
Descriptor: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ...
Authors:Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J.
Deposit date:2019-08-09
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
3NT1
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BU of 3nt1 by Molmil
High resolution structure of naproxen:COX-2 complex.
Descriptor: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J.
Deposit date:2010-07-02
Release date:2010-09-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
3NTB
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BU of 3ntb by Molmil
Structure of 6-methylthio naproxen analog bound to mCOX-2.
Descriptor: (2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J.
Deposit date:2010-07-03
Release date:2010-09-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.
J.Biol.Chem., 285, 2010
6KOC
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BU of 6koc by Molmil
X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis complexed with 3-iodo-N-oxo-2-heptyl-4-hydroxyquinoline
Descriptor: 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ...
Authors:Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J.
Deposit date:2019-08-09
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
8WYS
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BU of 8wys by Molmil
Local map of human CD5L bound to IgM-Fc/J
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wang, Y.X, Su, C, Xiao, J.Y.
Deposit date:2023-10-31
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:CD5L associates with IgM via the J chain.
Nat Commun, 15, 2024
8WYR
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BU of 8wyr by Molmil
Cryo-EM structure of human CD5L bound to IgM-Fc/J
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wang, Y.X, Su, C, Xiao, J.Y.
Deposit date:2023-10-31
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:CD5L associates with IgM via the J chain.
Nat Commun, 15, 2024
6KUF
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BU of 6kuf by Molmil
Crystal structure of barley exohydrolaseI W434A mutant in complex with glucose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-09-02
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6L1J
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BU of 6l1j by Molmil
Crystal structure of barley exohydrolaseI W434A mutant in complex with 4'-nitrophenyl thiolaminaritrioside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-09-29
Release date:2020-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
2OYE
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BU of 2oye by Molmil
Indomethacin-(R)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1
Descriptor: 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1R)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Harman, C.A, Garavito, R.M.
Deposit date:2007-02-21
Release date:2007-07-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
7CF6
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BU of 7cf6 by Molmil
Crystal structure of Beta-aspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum AW-1 in complex with beta-Asp-Leu dipeptide
Descriptor: (2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Dhanasingh, I, La, J.W, Lee, D.W, Lee, S.H.
Deposit date:2020-06-24
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Functional Characterization of Primordial Protein Repair Enzyme M38 Metallo-Peptidase From Fervidobacterium islandicum AW-1.
Front Mol Biosci, 7, 2020
3NCG
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BU of 3ncg by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor NM-PP1
Descriptor: 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-06-04
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
1OQS
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BU of 1oqs by Molmil
Crystal Structure of RV4/RV7 Complex
Descriptor: Phospholipase A2 RV-4, Phospholipase A2 RV-7
Authors:Perbandt, M, Betzel, C.
Deposit date:2003-03-11
Release date:2003-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the heterodimeric neurotoxic complex viperotoxin F (RV-4/RV-7) from the venom of Vipera russelli formosensis at 1.9 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003

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