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1BU8
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BU of 1bu8 by Molmil
RAT PANCREATIC LIPASE RELATED PROTEIN 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (PANCREATIC LIPASE RELATED PROTEIN 2)
Authors:Roussel, A, Cambillau, C.
Deposit date:1998-09-14
Release date:1998-12-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and activity of rat pancreatic lipase-related protein 2.
J.Biol.Chem., 273, 1998
6Y02
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BU of 6y02 by Molmil
Thrombin in complex with 13k
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Sandner, A, Heine, A, Klebe, G, Abazi, N.
Deposit date:2020-02-06
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Thrombin in complex with 13k
To be published
8TCO
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BU of 8tco by Molmil
HCMV Trimer in complex with CS2it1p2_F7K Fab and CS4tt1p1_E3K 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, CS2it1p2_F7K Fab heavy chain, ...
Authors:Goldsmith, J.A, McLellan, J.S.
Deposit date:2023-07-02
Release date:2023-08-09
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Single-cell analysis of memory B cells from top neutralizers reveals multiple sites of vulnerability within HCMV Trimer and Pentamer.
Immunity, 56, 2023
4X5B
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BU of 4x5b by Molmil
Anthranilate phosphoribosyltransferase variant R193L from Mycobacterium tuberculosis in complex with PRPP and Mg
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION
Authors:Cookson, T.V.M, Parker, E.J, Lott, J.S.
Deposit date:2014-12-05
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site.
Biochemistry, 54, 2015
7T5C
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BU of 7t5c by Molmil
X-ray structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) at low pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
Authors:Schroder, G.C, Meilleur, F.
Deposit date:2021-12-11
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase.
Chem Sci, 13, 2022
7T2A
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BU of 7t2a by Molmil
Crystal structure of HLA-DP4 in complex with Ply
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ...
Authors:Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2021-12-03
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity.
Immunity, 56, 2023
1BXX
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BU of 1bxx by Molmil
MU2 ADAPTIN SUBUNIT (AP50) OF AP2 ADAPTOR (SECOND DOMAIN), COMPLEXED WITH TGN38 INTERNALIZATION PEPTIDE DYQRLN
Descriptor: PROTEIN (AP50), PROTEIN (TGN38 PEPTIDE)
Authors:Owen, D.J, Evans, P.R.
Deposit date:1998-10-08
Release date:1998-11-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A structural explanation for the recognition of tyrosine-based endocytotic signals.
Science, 282, 1998
7T5E
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BU of 7t5e by Molmil
Neutron structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) low pH vapor exchange
Descriptor: COPPER (II) ION, Lytic polysaccharide monooxygenase, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Schroder, G.C, Meilleur, F.
Deposit date:2021-12-11
Release date:2022-12-28
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase.
Chem Sci, 13, 2022
7O00
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BU of 7o00 by Molmil
Crystal structure of HLA-DR4 in complex with a HSP70 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaperone protein DnaK, ...
Authors:Ge, C, Holmdahl, R.
Deposit date:2021-03-25
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor.
Ann Rheum Dis, 81, 2022
7T5D
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BU of 7t5d by Molmil
Neutron structure of Neurospora crassa Lytic Polysaccharide Monooxygenase 9D (NcLPMO9D) ascorbate soak
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, HYDROGEN PEROXIDE, ...
Authors:Schroder, G.C, Meilleur, F.
Deposit date:2021-12-11
Release date:2022-12-28
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (2.4 Å)
Cite:Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase.
Chem Sci, 13, 2022
5F1A
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BU of 5f1a by Molmil
The Crystal Structure of Salicylate Bound to Human Cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lucido, M.J, Orlando, B.J, Malkowski, M.G.
Deposit date:2015-11-30
Release date:2016-03-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
8CWK
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BU of 8cwk by Molmil
Fab arm of antibodies 4G1-C2 and 10G4 bound to CoV-2 receptor binding domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Heavy chain of Fab arm of antibody 10G4, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2022-05-19
Release date:2023-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:Neutralization of CoV-2 omicron sublineages by affinity-matured class 5 antibodies
To Be Published
6Y99
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BU of 6y99 by Molmil
hSTING mutant R232K in complex with 2',3'-cGAMP
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Boura, E, Smola, M.
Deposit date:2020-03-06
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
7AKQ
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BU of 7akq by Molmil
Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitintetraose obtained by soaking.
Descriptor: 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)-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, ACETATE ION, ...
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2020-10-01
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism
Comput Struct Biotechnol J, 19, 2021
7TCE
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BU of 7tce by Molmil
Crystal structure of delta sub IV Rhodobacter Sphaeroides bc1 with the antimalarial drug atovaquone.
Descriptor: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, Cytochrome b, ...
Authors:Esser, L, Xia, D, Zhou, F.
Deposit date:2021-12-23
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:Crystal structure of delta sub IV Rhodobacter Sphaeroides bc1 with the antimalarial drug atovaquone.
To Be Published
8ZHO
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BU of 8zho by Molmil
SARS-CoV-2 S1 in complex with H18 and R1-32 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, Heavy chain of R1-32 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
8ZHP
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BU of 8zhp by Molmil
Dimer of SARS-CoV-2 S1 in complex with H18 and R1-32 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, Heavy chain of R1-32 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
6YDZ
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BU of 6ydz by Molmil
Human wtSTING in complex with 3',3'-cGAMP
Descriptor: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-23
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
3IWO
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BU of 3iwo by Molmil
X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase at 1.90 Angstrom resolution
Descriptor: Beta-lactamase, PHOSPHATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Shoichet, B.K, Thomas, V.L.
Deposit date:2009-09-03
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural bases for stability-function tradeoffs in antibiotic resistance.
J.Mol.Biol., 396, 2010
6YHG
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BU of 6yhg by Molmil
Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a)
Descriptor: 1-(3-methoxyphenyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-PHENYLALANINE, ...
Authors:Sandner, A, Heine, A, Klebe, G, Collins, C.
Deposit date:2020-03-29
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a)
To be published
6YEA
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BU of 6yea by Molmil
Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP
Descriptor: 2',2'-difluoro-3',3'-cGAMP, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-24
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
8CYH
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BU of 8cyh by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A12 antibody heavy chain, A12 antibody light chain, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-23
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
5IJ3
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BU of 5ij3 by Molmil
SrpA adhesin in complex with sialyl T antigen
Descriptor: ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, ...
Authors:Iverson, T.M.
Deposit date:2016-03-01
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
8TP6
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BU of 8tp6 by Molmil
H2 hemagglutinin (A/Singapore/1/1957) in complex with RBS-targeting Fab 4-1-1E02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 4-1-1E02 Fab, ...
Authors:Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B.
Deposit date:2023-08-04
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Biorxiv, 2023
8DIR
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BU of 8dir by Molmil
The complex structure between human IgG1 Fc and its high affinity receptor FcgRI H174R variant
Descriptor: High affinity immunoglobulin gamma Fc receptor I, Ig gamma-1 Fc chain, SODIUM ION, ...
Authors:Lu, J, Sun, P.D.
Deposit date:2022-06-29
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fc gamma RI FG-loop functions as a pH sensitive switch for IgG binding and release.
Front Immunol, 14, 2023

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