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8AZ0
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BU of 8az0 by Molmil
IAPP S20G growth-phase fibril polymorph 2PF-L
Descriptor: Islet amyloid polypeptide
Authors:Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A.
Deposit date:2022-09-05
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
5ELD
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BU of 5eld by Molmil
Cholera toxin classical B-pentamer in complex with A Lewis-y
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cholera enterotoxin B subunit, DI(HYDROXYETHYL)ETHER, ...
Authors:Heggelund, J.E, Burschowsky, D, Krengel, U.
Deposit date:2015-11-04
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
3KX1
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BU of 3kx1 by Molmil
Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor
Descriptor: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
Authors:Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-02
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KXG
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BU of 3kxg by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
Descriptor: 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
7OSR
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BU of 7osr by Molmil
Structure and folding of a 600-million-year-old nuclear coactivator binding domain suggest conservation of dynamic properties
Descriptor: Nuclear co-activator binding domain
Authors:Chi, C.
Deposit date:2021-06-09
Release date:2022-04-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The dynamic properties of a nuclear coactivator binding domain are evolutionarily conserved.
Commun Biol, 5, 2022
7P2O
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BU of 7p2o by Molmil
NMR solution structure of SUD-C domain of SARS-CoV-2
Descriptor: Non-structural protein 3
Authors:Gallo, A, Tsika, A.C, Fourkiotis, N.K, Spyroulias, G.A.
Deposit date:2021-07-06
Release date:2022-07-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR solution structure of SUD-C domain of SARS-CoV-2
To Be Published
5ERL
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BU of 5erl by Molmil
Crystal structure of the epimerase SnoN in complex with Ni2+, succinate and nogalamycin RO
Descriptor: NICKEL (II) ION, Nogalamycin RO, SUCCINIC ACID, ...
Authors:Selvaraj, B, Lindqvist, Y, Siitonen, V, Metsa-Ketela, M, Schneider, G.
Deposit date:2015-11-14
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EPG
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BU of 5epg by Molmil
Human aldehyde oxidase SNP S1271L
Descriptor: Aldehyde oxidase, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Coelho, C, Romao, M.J, Santos-Silva, T.
Deposit date:2015-11-11
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Optimization of the Expression of Human Aldehyde Oxidase for Investigations of Single-Nucleotide Polymorphisms.
Drug Metab.Dispos., 44, 2016
7MIB
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BU of 7mib by Molmil
Half integration complex of Cas4/Cas1/Cas2 with Cas4 still on the Non-PAM side
Descriptor: CRISPR-associated endoribonuclease Cas2, CRISPR-associated exonuclease Cas4/endonuclease Cas1 fusion, DNA (31-MER), ...
Authors:Hu, C.Y, Ke, A.K.
Deposit date:2021-04-16
Release date:2021-11-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Mechanism for Cas4-assisted directional spacer acquisition in CRISPR-Cas.
Nature, 598, 2021
5ELO
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BU of 5elo by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and cladosporin
Descriptor: 1,2-ETHANEDIOL, LYSINE, Lysine--tRNA ligase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-11-04
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 2019
5EP9
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BU of 5ep9 by Molmil
Crystal structure of the non-heme alpha ketoglutarate dependent epimerase SnoN from nogalamycin biosynthesis
Descriptor: 2-OXOGLUTARIC ACID, ACETATE ION, FE (III) ION, ...
Authors:Selvaraj, B, Lindqvist, Y, Niiranen, L, Siitonen, V, Metsa-Ketela, M, Schneider, G.
Deposit date:2015-11-11
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EL1
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BU of 5el1 by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant) after acetaldehyde treatment
Descriptor: 1-BUTANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase
Authors:Weiergraeber, O.H, Dick, M, Pietruszka, J.
Deposit date:2015-11-04
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies.
Chem Sci, 7, 2016
5EMU
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BU of 5emu by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant) after acetaldehyde treatment and heating
Descriptor: 1-BUTANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase
Authors:Weiergraeber, O.H, Dick, M, Pietruszka, J.
Deposit date:2015-11-06
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies.
Chem Sci, 7, 2016
5EOS
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BU of 5eos by Molmil
Crystallizing Strained DNA: Self-Assembly of 3D Crystals Containing a Torsionally-Stressed Component
Descriptor: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*TP*GP*CP*TP*GP*C)-3'), DNA (5'-D(P*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*AP*CP*AP*CP*CP*GP*T)-3'), ...
Authors:Hernandez, C, Birktoft, J.J, Seeman, N.C.
Deposit date:2015-11-10
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (4.7 Å)
Cite:Self-Assembly of 3D DNA Crystals Containing a Torsionally Stressed Component.
Cell Chem Biol, 2017
5EPL
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BU of 5epl by Molmil
Crystal Structure of chromodomain of CBX4 in complex with inhibitor UNC3866
Descriptor: E3 SUMO-protein ligase CBX4, UNKNOWN ATOM OR ION, unc3866
Authors:Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-11-11
Release date:2015-12-23
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
7PVB
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BU of 7pvb by Molmil
Structure of Viscotoxin A3 from Viscum Album in the complex with DPC micelles
Descriptor: Viscotoxin-A3
Authors:Paramonov, A.S, Shenkarev, Z.O.
Deposit date:2021-10-01
Release date:2021-12-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Spatial structure and oligomerization of viscotoxin A3 in detergent micelles: Implication for mechanisms of ion channel formation and membrane lysis.
Biochem.Biophys.Res.Commun., 585, 2021
7MD5
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BU of 7md5 by Molmil
Insulin receptor ectodomain dimer complexed with two IRPA-9 partial agonists
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ...
Authors:Gomez-Llorente, Y, Zhou, H, Scapin, G.
Deposit date:2021-04-03
Release date:2022-02-23
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists.
Nat Commun, 13, 2022
5ELY
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BU of 5ely by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242
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-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ...
Authors:Barinka, C, Novakova, Z, Pavlicek, J.
Deposit date:2015-11-05
Release date:2016-04-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
5EU0
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BU of 5eu0 by Molmil
FIC domain of Bep1 from Bartonella rochalimae in complex with BiaA
Descriptor: Bartonella effector protein (Bep) substrate of VirB T4SS, SULFATE ION, antitoxin 1
Authors:Goepfert, A.
Deposit date:2015-11-18
Release date:2017-03-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis for Rho-family GTPase discrimination by a bacterial virulence factor
to be published
5EU8
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BU of 5eu8 by Molmil
Structure of FIPV main protease in complex with dual inhibitors
Descriptor: 1,2-ETHANEDIOL, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, ZINC ION, ...
Authors:Wang, F, Chen, C, Liu, X, Yang, K, Xu, X, Yang, H.
Deposit date:2015-11-18
Release date:2015-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors
J.Virol., 90, 2015
5ER2
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BU of 5er2 by Molmil
High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme
Descriptor: 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN
Authors:Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L.
Deposit date:1991-01-02
Release date:1991-04-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme.
EMBO J., 8, 1989
8B9R
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BU of 8b9r by Molmil
Molecular structure of Cu(II)-bound amyloid-beta monomer implicated in inhibition of peptide self-assembly in Alzheimer's disease
Descriptor: Amyloid-beta A4 protein, COPPER (II) ION
Authors:Abelein, A, Ciofi-Baffoni, S, Morman, C, Kumar, R, Giachetti, A, Piccioli, M, Biverstal, H.
Deposit date:2022-10-06
Release date:2023-02-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Molecular Structure of Cu(II)-Bound Amyloid-beta Monomer Implicated in Inhibition of Peptide Self-Assembly in Alzheimer's Disease.
Jacs Au, 2, 2022
8WLS
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BU of 8wls by Molmil
Bcl-xL in complex with HBx BH3 delta C peptide
Descriptor: Bcl-2-like protein 1, Protein X
Authors:Kobayashi, N, Nagata, T, Kusunoki, H.
Deposit date:2023-10-01
Release date:2024-03-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights into the Interaction between the C-Terminal-Deleted BH3-like Motif Peptide of Hepatitis B Virus X Protein and Bcl-x L.
Biochemistry, 63, 2024
5UAR
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BU of 5uar by Molmil
Dephosphorylated, ATP-free cystic fibrosis transmembrane conductance regulator (CFTR) from zebrafish
Descriptor: Cystic fibrosis transmembrane conductance regulator, DECANE
Authors:Zhang, Z, Chen, J.
Deposit date:2016-12-19
Release date:2017-01-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Atomic Structure of the Cystic Fibrosis Transmembrane Conductance Regulator.
Cell, 167, 2016
2IQX
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BU of 2iqx by Molmil
Rat Phosphatidylethanolamine-Binding Protein Containing the S153E Mutation in the Complex with o-Phosphorylethanolamine
Descriptor: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Phosphatidylethanolamine-binding protein 1
Authors:Kim, Y, Joachimiak, G, Clark, M.C, Rosner, M, Joachimiak, A.
Deposit date:2006-10-14
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rat Phosphatidylethanolamine-Binding Crystal structure of Protein Containing the S153E Mutation in the Complex with o-Phosphorylethanolamine
To be Published

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數據於2024-10-09公開中

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