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6PXH
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BU of 6pxh by Molmil
Crystal Structure of MERS-CoV S1-NTD bound with G2 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIHYDROFOLIC ACID, ...
Authors:Wang, N, McLellan, J.S.
Deposit date:2019-07-26
Release date:2019-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD.
Cell Rep, 28, 2019
6Q5Z
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BU of 6q5z by Molmil
H-Vc7.2, H-superfamily conotoxin
Descriptor: Conotoxin Vc7.2
Authors:Nielsen, L.D, Foged, M.M, Teilum, K, Ellgaard, L.
Deposit date:2018-12-10
Release date:2019-04-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The three-dimensional structure of an H-superfamily conotoxin reveals a granulin fold arising from a common ICK cysteine framework.
J.Biol.Chem., 294, 2019
7RY7
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BU of 7ry7 by Molmil
Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasmepsin X
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-08-24
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of plasmepsin X from Plasmodium falciparum reveal a novel inactivation mechanism of the zymogen and molecular basis for binding of inhibitors in mature enzyme.
Protein Sci., 31, 2022
7SF8
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BU of 7sf8 by Molmil
GPR56 (ADGRG1) 7TM domain bound to tethered agonist in complex with G protein heterotrimer
Descriptor: G protein subunit 13 (Gi2-mini-G13 chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Barros-Alvarez, X, Panova, O, Skiniotis, G.
Deposit date:2021-10-03
Release date:2022-04-27
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:The tethered peptide activation mechanism of adhesion GPCRs.
Nature, 604, 2022
7SF7
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BU of 7sf7 by Molmil
LPHN3 (ADGRL3) 7TM domain bound to tethered agonist in complex with G protein heterotrimer
Descriptor: G protein subunit 13 (Gi2-mini-G13 chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Barros-Alvarez, X, Panova, O, Skiniotis, G.
Deposit date:2021-10-03
Release date:2022-04-27
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The tethered peptide activation mechanism of adhesion GPCRs.
Nature, 604, 2022
7SBX
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BU of 7sbx by Molmil
Structure of OC43 spike in complex with polyclonal Fab6 (Donor 1051)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-26
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SBY
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BU of 7sby by Molmil
Structure of OC43 spike in complex with polyclonal Fab7 (Donor 269)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-26
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SB3
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BU of 7sb3 by Molmil
Structure of OC43 spike in complex with polyclonal Fab1 (Donor 269)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Ward, A, Bangaru, S, Antanasijevic, A.
Deposit date:2021-09-23
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SB4
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BU of 7sb4 by Molmil
Structure of OC43 spike in complex with polyclonal Fab2 (Donor 1412)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-23
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SB5
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BU of 7sb5 by Molmil
Structure of OC43 spike in complex with polyclonal Fab3 (Donor 1412)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-23
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SBV
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BU of 7sbv by Molmil
Structure of OC43 spike in complex with polyclonal Fab4 (Donor 269)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-26
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SBW
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BU of 7sbw by Molmil
Structure of OC43 spike in complex with polyclonal Fab5 (Donor 1051)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-26
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SBU
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BU of 7sbu by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a highly potent antibody J08 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, J08 Fab heavy chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2021-09-25
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
3LPR
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BU of 3lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-NORLEUCINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1991-08-05
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
2BS9
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BU of 2bs9 by Molmil
Native crystal structure of a GH39 beta-xylosidase XynB1 from Geobacillus stearothermophilus
Descriptor: BETA-XYLOSIDASE, CALCIUM ION
Authors:Czjzek, M, Bravman, T, Henrissat, B, Shoham, Y.
Deposit date:2005-05-19
Release date:2005-10-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme-Substrate Complex Structures of a Gh39 Beta-Xylosidase from Geobacillus Stearothermophilus.
J.Mol.Biol., 353, 2005
2DSN
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BU of 2dsn by Molmil
Crystal structure of T1 lipase
Descriptor: CALCIUM ION, CHLORIDE ION, SODIUM ION, ...
Authors:Matsumura, H, Kai, Y.
Deposit date:2006-07-03
Release date:2007-07-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel cation-pi interaction revealed by crystal structure of thermoalkalophilic lipase
Proteins, 70, 2007
2C0A
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BU of 2c0a by Molmil
Mechanism of the Class I KDPG aldolase
Descriptor: KHG/KDPG ALDOLASE, PHOSPHATE ION
Authors:Hutchins, M.J, Fullerton, S.W.B, Toone, E.J, Naismith, J.H.
Deposit date:2005-08-29
Release date:2005-09-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
2BFG
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BU of 2bfg by Molmil
crystal structure of beta-xylosidase (fam GH39) in complex with dinitrophenyl-beta-xyloside and covalently bound xyloside
Descriptor: 2,5-DINITROPHENOL, BETA-XYLOSIDASE, SODIUM ION, ...
Authors:Czjzek, M, Bravman, T, Henrissat, B, Shoham, Y.
Deposit date:2004-12-07
Release date:2005-10-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzyme-Substrate Complex Structures of a Gh39 Beta-Xylosidase from Geobacillus Stearothermophilus.
J.Mol.Biol., 353, 2005
2BDL
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BU of 2bdl by Molmil
Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor
Descriptor: (3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE, Cathepsin K
Authors:Shewchuk, L.M.
Deposit date:2005-10-20
Release date:2006-03-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2EWP
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BU of 2ewp by Molmil
Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domaind with tamoxifen analog GSK5182
Descriptor: (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL, Estrogen-related receptor gamma
Authors:Nolte, R.T.
Deposit date:2005-11-04
Release date:2006-05-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma.
Bioorg.Med.Chem.Lett., 16, 2006
1PYP
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BU of 1pyp by Molmil
X-RAY DIFFRACTION STUDY OF INORGANIC PYROPHOSPHATASE FROM BAKER,S YEAST AT THE 3 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: INORGANIC PYROPHOSPHATASE
Authors:Harutyunyan, E.H, Terzyan, S.S, Vainshtein, B.K.
Deposit date:1983-02-03
Release date:1983-10-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-Ray Diffraction Study of Inorganic Pyrophosphatase from Baker,S Yeast at the 3 Angstroms Resolution (Russian)
Dokl.Akad.Nauk Sssr, 258, 1981
2CFX
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BU of 2cfx by Molmil
Structure of B.subtilis LrpC
Descriptor: HTH-TYPE TRANSCRIPTIONAL REGULATOR LRPC
Authors:Thaw, P, Rafferty, J.B.
Deposit date:2006-02-24
Release date:2006-03-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight Into Gene Transcriptional Regulation and Effector Binding by the Lrp/Asnc Family.
Nucleic Acids Res., 34, 2006
3O8A
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BU of 3o8a by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with novel Inhibitor Genz667348
Descriptor: Dihydroorotate dehydrogenase homolog, mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Booker, M.L, Phillips, M.A.
Deposit date:2010-08-02
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with anti-malarial activity in the mouse model.
J.Biol.Chem., 285, 2010
3P88
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BU of 3p88 by Molmil
FXR bound to isoquinolinecarboxylic acid
Descriptor: 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ...
Authors:Madauss, K.P, Williams, S.P, Deaton, D.N.
Deposit date:2010-10-13
Release date:2011-08-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
3PDF
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BU of 3pdf by Molmil
Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C
Descriptor: 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, B, Laine, D.
Deposit date:2010-10-22
Release date:2011-10-26
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of novel cyanamide-based inhibitors of cathepsin C.
Acs Med.Chem.Lett., 2, 2011

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