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4K12
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BU of 4k12 by Molmil
Structural Basis for Host Specificity of Factor H Binding by Streptococcus pneumoniae
Descriptor: Choline binding protein A, Complement factor H
Authors:Liu, A, Achila, D, Banerjee, R, Martinez-Hackert, E, Li, Y, Yan, H.
Deposit date:2013-04-04
Release date:2014-04-09
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.079 Å)
Cite:Structural determinants of host specificity of complement Factor H recruitment by Streptococcus pneumoniae.
Biochem.J., 465, 2015
4K44
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BU of 4k44 by Molmil
Auto-inhibition and phosphorylation-induced activation of PLC-gamma isozymes
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
Authors:Hajicek, N, Sondek, J.
Deposit date:2013-04-11
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Autoinhibition and Phosphorylation-Induced Activation of Phospholipase C-gamma Isozymes.
Biochemistry, 52, 2013
4KLB
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BU of 4klb by Molmil
Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176
Descriptor: 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide, Cruzipain
Authors:Fernandes, W.B, Montanari, C.A, Mckerrow, J.H.
Deposit date:2013-05-07
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay.
Plos Negl Trop Dis, 7, 2013
7S76
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BU of 7s76 by Molmil
HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION
Descriptor: (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate, Capsid protein
Authors:Olland, A.M, Suto, R.K.
Deposit date:2021-09-15
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The identification of highly efficacious functionalised tetrahydrocyclopenta[ c ]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly.
Rsc Med Chem, 13, 2022
7SGT
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BU of 7sgt by Molmil
Domain III (EDIII) of the POWV E glycoprotein
Descriptor: Envelope protein E
Authors:Harris, R, Cahill, S.M, Cowburn, D.
Deposit date:2021-10-07
Release date:2022-05-18
Last modified:2022-06-22
Method:SOLUTION NMR
Cite:A Powassan virus domain III nanoparticle immunogen elicits neutralizing and protective antibodies in mice.
Plos Pathog., 18, 2022
7SAV
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BU of 7sav by Molmil
Native mu-conotoxin KIIIA isomer
Descriptor: Mu-conotoxin KIIIA
Authors:Schroeder, C.I, Tran, H.N.T.
Deposit date:2021-09-23
Release date:2022-05-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional insights into the inhibition of human voltage-gated sodium channels by mu-conotoxin KIIIA disulfide isomers.
J.Biol.Chem., 298, 2022
7RU4
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BU of 7ru4 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
Descriptor: 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, CC6.33 IgG heavy chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU1
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BU of 7ru1 by Molmil
SARS-CoV-2-6P-Mut7 S protein (C3 symmetry)
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
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU8
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BU of 7ru8 by Molmil
CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab Kappa chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU6
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BU of 7ru6 by Molmil
Cryo-EM structure of the HIV-1 restriction factor human SERINC3
Descriptor: Serine incorporator 3, SiA
Authors:Purdy, M.D, Leonhardt, S.A, Yeager, M.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Antiviral HIV-1 SERINC restriction factors disrupt virus membrane asymmetry.
Nat Commun, 14, 2023
4K34
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BU of 4k34 by Molmil
Crystal structures of CusC review conformational changes accompanying folding and transmembrane channel formation
Descriptor: Cation efflux system protein CusC
Authors:Su, C.-C.
Deposit date:2013-04-10
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Crystal Structures of CusC Review Conformational Changes Accompanying Folding and Transmembrane Channel Formation.
J.Mol.Biol., 426, 2014
7RU3
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BU of 7ru3 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement)
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:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RUG
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BU of 7rug by Molmil
Human SERINC3-DeltaICL4
Descriptor: Serine incorporator 3, SiA
Authors:Purdy, M.D, Leonhardt, S.A, Yeager, M.
Deposit date:2021-08-17
Release date:2022-08-24
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Antiviral HIV-1 SERINC restriction factors disrupt virus membrane asymmetry.
Nat Commun, 14, 2023
7RU2
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BU of 7ru2 by Molmil
SARS-CoV-2-6P-Mut7 S protein (asymmetric)
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
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU5
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BU of 7ru5 by Molmil
CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab heavy chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7SGJ
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BU of 7sgj by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-711
Descriptor: 1,2-ETHANEDIOL, 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGI
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BU of 7sgi by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Inhibitor 14
Descriptor: 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7S7G
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BU of 7s7g by Molmil
Crystal Structure Analysis of Human VLCAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Very long-chain specific acyl-CoA dehydrogenase, mitochondrial
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2021-09-15
Release date:2022-09-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural basis for defective membrane targeting of mutant enzyme in human VLCAD deficiency.
Nat Commun, 13, 2022
7SGG
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BU of 7sgg by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with SAHA
Descriptor: DI(HYDROXYETHYL)ETHER, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGK
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BU of 7sgk by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-728
Descriptor: N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7S7P
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BU of 7s7p by Molmil
NMR solution structure of a neurotoxic thionin from Urtica ferox
Descriptor: urthionin-Uf1a
Authors:Durek, T, Harvey, P.J, Craik, D.J.
Deposit date:2021-09-16
Release date:2022-07-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Neurotoxic and cytotoxic peptides underlie the painful stings of the tree nettle Urtica ferox.
J.Biol.Chem., 298, 2022
4LB9
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BU of 4lb9 by Molmil
X-ray study of human serum albumin complexed with etoposide
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, MYRISTIC ACID, SERUM ALBUMIN
Authors:Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C.
Deposit date:2013-06-20
Release date:2013-07-24
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013
4L0L
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BU of 4l0l by Molmil
Crystal structure of P.aeruginosa PBP3 in complex with compound 4
Descriptor: (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid, Penicillin-binding protein 3
Authors:Han, S, Marr, E.S.
Deposit date:2013-05-31
Release date:2013-08-21
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyridone-conjugated monobactam antibiotics with gram-negative activity.
J.Med.Chem., 56, 2013
7S0J
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BU of 7s0j by Molmil
Crystal structure of Epstein-Barr virus gH/gL targeting antibody 769B10
Descriptor: 769B10 Fab Heavy chain, 769B10 Fab Light chain, GLYCEROL
Authors:Chen, W.-H, Kanekiyo, M, Cohen, J.I, Joyce, M.G.
Deposit date:2021-08-30
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
7S08
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BU of 7s08 by Molmil
Crystal structure of Epstein-Barr virus gH/gL targeting antibody 770F7
Descriptor: 770F7 Fab Heavy chain, 770F7 Fab Light chain, GLYCEROL
Authors:Chen, W.-H, Joyce, M.G.
Deposit date:2021-08-30
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022

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