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6XUP
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BU of 6xup by Molmil
Archaeoglobus fulgidus Argonaute protein with DNA oligoduplex 5'-pATCGTGGCCACGAT
Descriptor: 5'-D(*AP*TP*CP*GP*TP*GP*GP*CP*CP*AP*CP*GP*AP*TP)-3', BETA-MERCAPTOETHANOL, CACODYLATE ION, ...
Authors:Grazulis, S, Zaremba, M.
Deposit date:2020-01-20
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Archaeoglobus fulgidus Argonaute protein with DNA oligoduplex 5'-pATCGTGGCCACGAT
To be published
6XV0
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BU of 6xv0 by Molmil
lauric acid functionalized hexamolybdoaluminate bound to human serum albumin
Descriptor: MYRISTIC ACID, Serum albumin, lauric acid functionalized hexamolybdoaluminate
Authors:Bijelic, A, Dobrov, A, Roller, A, Rompel, A.
Deposit date:2020-01-21
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Binding of a Fatty Acid-Functionalized Anderson-Type Polyoxometalate to Human Serum Albumin.
Inorg.Chem., 59, 2020
7BXZ
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BU of 7bxz by Molmil
Crystal structure of the aminoglycoside 6'-N-acetyltransferase from Enterococcus faecium
Descriptor: Aminoglycoside 6'-N-acetyltransferase
Authors:Kwon, S, Park, H.H.
Deposit date:2020-04-21
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structural analysis of a novel substrate-free form of the aminoglycoside 6'-N-acetyltransferase from Enterococcus faecium.
Acta Crystallogr.,Sect.F, 76, 2020
8G3M
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BU of 8g3m by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with 3 FNI9 Fab molecules
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI9 Fab heavy chain, ...
Authors:Dang, H.V, Snell, G.
Deposit date:2023-02-08
Release date:2023-05-31
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
6XWV
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BU of 6xwv by Molmil
Crystal structure of drosophila melanogaster CENP-C bound to CAL1
Descriptor: Calmodulin, Ryanodine Receptor 2
Authors:Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P.
Deposit date:2020-01-24
Release date:2020-04-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1.
Embo J., 39, 2020
6Y0K
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BU of 6y0k by Molmil
Sulfite oxidase from Thermus thermophilus with coordinated phosphate
Descriptor: (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, GLYCEROL, PHOSPHATE ION, ...
Authors:Djeghader, A, Soulimane, T.
Deposit date:2020-02-08
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural evidence for a reaction intermediate mimic in the active site of a sulfite dehydrogenase.
Chem.Commun.(Camb.), 56, 2020
8GBX
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BU of 8gbx by Molmil
Crystal structure of PC39-50I, an anti-HIV broadly neutralizing antibody
Descriptor: PC39-50I Fab heavy chain, PC39-50I Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
6MZJ
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BU of 6mzj by Molmil
Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 2 Fabs bound, sharpened map
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ...
Authors:Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D.
Deposit date:2018-11-05
Release date:2018-11-14
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core.
Elife, 7, 2018
6OPQ
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BU of 6opq by Molmil
CD4- and 17-bound HIV-1 Env B41 SOSIP frozen with LMNG
Descriptor: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2019-04-25
Release date:2020-10-21
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Cell Rep, 33, 2020
6O8S
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BU of 6o8s by Molmil
Syn-safencin 56
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
8GBY
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BU of 8gby by Molmil
Crystal structure of PC39-50E, an anti-HIV broadly neutralizing antibody
Descriptor: GLYCEROL, PC39-50E Fab heavy chain, PC39-50E Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GBW
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BU of 8gbw by Molmil
Crystal structure of PC39-23D, an anti-HIV broadly neutralizing antibody
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PC39-23D Fab heavy chain, ...
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GC0
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BU of 8gc0 by Molmil
Crystal structure of PC39-50L, an anti-HIV broadly neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PC39-50L Fab heavy chain, PC39-50L Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GBV
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BU of 8gbv by Molmil
Crystal structure of PC39-17A, an anti-HIV broadly neutralizing antibody
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, PC39-17A Fab heavy chain, ...
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
6N8H
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BU of 6n8h by Molmil
RNA Duplex containing the internal loop 5'-GCAU/3'-UACG
Descriptor: RNA (5'-R(*CP*GP*GP*GP*CP*AP*UP*CP*CP*G)-3')
Authors:Berger, K.D, Kennedy, S.D, Turner, D.H.
Deposit date:2018-11-29
Release date:2019-02-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Reveals That GU Base Pairs Flanking Internal Loops Can Adopt Diverse Structures.
Biochemistry, 58, 2019
6MV3
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BU of 6mv3 by Molmil
NMR structure of the cNTnC-cTnI chimera bound to calcium desensitizer W7
Descriptor: CALCIUM ION, N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE, Troponin C, ...
Authors:Cai, F, Hwang, P.M, Sykes, B.D.
Deposit date:2018-10-24
Release date:2018-11-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Changes Induced by the Binding of the Calcium Desensitizer W7 to Cardiac Troponin.
Biochemistry, 57, 2018
7PDT
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BU of 7pdt by Molmil
Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment
Descriptor: 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:le Maire, A, Bourguet, W, Guee, L.
Deposit date:2021-08-07
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
6QDA
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BU of 6qda by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811
Descriptor: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDG
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BU of 6qdg by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169
Descriptor: 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
8U1Q
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BU of 8u1q by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-2D10 heavy chain, ...
Authors:Ferguson, J.A, Oeverdieck, S, Ward, A.B.
Deposit date:2023-09-01
Release date:2024-03-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
8U1S
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BU of 8u1s by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-393 heavy chain, ...
Authors:Ferguson, J.A, Raghavan, S.S.R, Ward, A.B.
Deposit date:2023-09-02
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
6NB4
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BU of 6nb4 by Molmil
MERS-CoV S complex with human neutralizing LCA60 antibody Fab fragment (state 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCA60 heavy chain, ...
Authors:Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-06
Release date:2019-02-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
7PZB
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BU of 7pzb by Molmil
Structure of the Clr-cAMP-DNA complex
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, DNA (5'-D(*CP*TP*AP*GP*GP*TP*AP*AP*CP*AP*TP*TP*AP*CP*TP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*TP*AP*AP*TP*GP*TP*TP*AP*C)-3'), ...
Authors:Werel, L, Essen, L.-O.
Deposit date:2021-10-11
Release date:2022-11-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural Basis of Dual Specificity of Sinorhizobium meliloti Clr, a cAMP and cGMP Receptor Protein.
Mbio, 14, 2023
7PZW
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BU of 7pzw by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((5-(phenylethynyl)thiophene-2-carboxamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
8EF3
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BU of 8ef3 by Molmil
Crystal structure of a NHP anti-ZIKV neutralizing antibody rhMZ119-D
Descriptor: rhMZ119-D antibody heavy chain, rhMZ119-D antibody light chain
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2022-09-07
Release date:2023-08-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.672 Å)
Cite:Zika-specific neutralizing antibodies targeting inter-dimer envelope epitopes.
Cell Rep, 42, 2023

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数据于2024-11-06公开中

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