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5A8Q
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BU of 5a8q by Molmil
Crystal structure beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A obtained by soaking
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
Deposit date:2015-07-16
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
2C9J
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BU of 2c9j by Molmil
Structure of the fluorescent protein cmFP512 at 1.35A from Cerianthus membranaceus
Descriptor: GREEN FLUORESCENT PROTEIN FP512
Authors:Renzi, F, Nienhaus, K, Wiedenmann, J, Vallone, B, Nienhaus, G.U.
Deposit date:2005-12-12
Release date:2006-10-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Exploring Chromophore-Protein Interactions in Fluorescent Protein Cmfp512 from Cerianthus Membranaceus: X-Ray Structure Analysis and Optical Spectroscopy.
Biochemistry, 45, 2006
6VO3
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BU of 6vo3 by Molmil
AMC009 SOSIP.v4.2 in complex with PGV04 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, AMC009 SOSIP.v4.2 envelope glycoprotein gp120, ...
Authors:Cottrell, C.A, de Val, N, Ward, A.B.
Deposit date:2020-01-29
Release date:2020-09-23
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Neutralizing Antibody Responses Induced by HIV-1 Envelope Glycoprotein SOSIP Trimers Derived from Elite Neutralizers.
J.Virol., 94, 2020
8SAS
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BU of 8sas by Molmil
CryoEM structure of DH270.5-CH848.10.17
Descriptor: CH848.10.17 gp120, CH848.10.17 gp41, DH270.5 variable heavy chian, ...
Authors:Henderson, R, Zhou, Y, Stalls, V, Bartesaghi, B, Acharya, P.
Deposit date:2023-04-01
Release date:2023-04-19
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for breadth development in the HIV-1 V3-glycan targeting DH270 antibody clonal lineage.
Nat Commun, 14, 2023
4IDW
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BU of 4idw by Molmil
Polycrystalline T6 Bovine Insulin: Anisotropic Lattice Evolution and Novel Structure Refinement Strategy
Descriptor: Insulin A chain, Insulin B chain, ZINC ION
Authors:Margiolaki, I, Giannopoulou, A.E, Wright, J.P, Knight, L, Norrman, M, Schluckebier, G, Fitch, A, Von Dreele, R.B.
Deposit date:2012-12-13
Release date:2013-06-05
Method:POWDER DIFFRACTION
Cite:High-resolution powder X-ray data reveal the T6 hexameric form of bovine insulin
Acta Crystallogr.,Sect.D, 69, 2013
152L
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BU of 152l by Molmil
CONSERVATION OF SOLVENT-BINDING SITES IN 10 CRYSTAL FORMS OF T4 LYSOZYME
Descriptor: SULFATE ION, T4 LYSOZYME
Authors:Matsumura, M, Weaver, L.H, Matthews, B.W.
Deposit date:1994-01-26
Release date:1994-05-31
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conservation of solvent-binding sites in 10 crystal forms of T4 lysozyme.
Protein Sci., 3, 1994
5V3P
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BU of 5v3p by Molmil
Human A20 OTU domain (I325N) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
4LQK
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BU of 4lqk by Molmil
Structure of the vaccinia virus NF- B antagonist A46
Descriptor: BROMIDE ION, Protein A46, SODIUM ION
Authors:Grishkovskaya, I, Fedosyuk, S, Skern, T, Djinovic-Carugo, K.
Deposit date:2013-07-18
Release date:2013-12-25
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Characterization and Structure of the Vaccinia Virus NF-kappa B Antagonist A46.
J.Biol.Chem., 289, 2014
3PYY
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BU of 3pyy by Molmil
Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site
Descriptor: (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ...
Authors:Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B.
Deposit date:2010-12-13
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
3Q09
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BU of 3q09 by Molmil
Crystal Structure of Chlorite Dismutase from D. Aromatica at pH 9.0
Descriptor: CALCIUM ION, Chlorite dismutase, NITRITE ION, ...
Authors:Goblirsch, B.R, Wilmot, C.M.
Deposit date:2010-12-15
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural features promoting dioxygen production by Dechloromonas aromatica chlorite dismutase.
J.Biol.Inorg.Chem., 15, 2010
2FVJ
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BU of 2fvj by Molmil
A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Benz, J, Burgermeister, E, Flament, A, Schnoebelen, A, Stihle, M, Gsell, B, Rufer, A, Ruf, A, Kuhn, B, Maerki, H.P, Mizrahi, J, Sebokova, E, Niesor, E, Meyer, M.
Deposit date:2006-01-31
Release date:2006-05-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro
Mol.Endocrinol., 20, 2006
3N7P
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BU of 3n7p by Molmil
Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism
Descriptor: Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1, SULFATE ION
Authors:Ter Haar, E.
Deposit date:2010-05-27
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010
1FXF
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BU of 1fxf by Molmil
CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + PHOSPHATE IONS)
Descriptor: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ...
Authors:Pan, Y.H, Epstein, T.M, Jain, M.K, Bahnson, B.J.
Deposit date:2000-09-25
Release date:2001-09-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding.
Biochemistry, 40, 2001
4P23
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BU of 4p23 by Molmil
J809.B5 TCR bound to IAb/3K
Descriptor: 3K peptide and MHC IAb beta chain,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ...
Authors:Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L.
Deposit date:2014-02-28
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity.
J Immunol., 192, 2014
7JW4
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BU of 7jw4 by Molmil
Crystal structure of PdGH110B in complex with D-galactose
Descriptor: CHLORIDE ION, Glycoside hydrolase family 110, NICKEL (II) ION, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2020-08-24
Release date:2020-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:The structure of a family 110 glycoside hydrolase provides insight into the hydrolysis of alpha-1,3-galactosidic linkages in lambda-carrageenan and blood group antigens.
J.Biol.Chem., 295, 2020
4P7R
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BU of 4p7r by Molmil
Structure of Escherichia coli PgaB C-terminal domain in complex with a poly-beta-1,6-N-acetyl-D-glucosamine (PNAG) hexamer
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Authors:Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L.
Deposit date:2014-03-27
Release date:2014-07-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine.
Proc.Natl.Acad.Sci.USA, 111, 2014
7K80
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BU of 7k80 by Molmil
KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, ...
Authors:MacLachlan, B.J, Rossjohn, J, Vivian, J.P.
Deposit date:2020-09-24
Release date:2020-12-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1.
J Immunol., 206, 2021
3MVR
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BU of 3mvr by Molmil
Crystal Structure of cytochrome P450 2B4-H226Y in a closed conformation
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2010-05-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Plasticity of Cytochrome P450 2B4 as Investigated by Hydrogen-Deuterium Exchange Mass Spectrometry and X-ray Crystallography.
J.Biol.Chem., 285, 2010
1UY3
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BU of 1uy3 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:Van Bueren, A.L, Boraston, A.B.
Deposit date:2004-03-01
Release date:2004-06-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
4DMY
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BU of 4dmy by Molmil
Cathepsin K inhibitor
Descriptor: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ...
Authors:Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
Deposit date:2012-02-08
Release date:2012-07-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
5TBR
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BU of 5tbr by Molmil
The Solution Structure of the Magnesium-bound Conantokin-R1B Mutant
Descriptor: Conantokin-R1-B
Authors:Castellino, F.J, Yuan, Y.
Deposit date:2016-09-12
Release date:2017-06-28
Last modified:2019-12-04
Method:SOLUTION NMR
Cite:Discerning the Role of the Hydroxyproline Residue in the Structure of Conantokin Rl-B and Its Role in GluN2B Subunit-Selective Antagonistic Activity toward N-Methyl-d-Aspartate Receptors.
Biochemistry, 55, 2016
7EDJ
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BU of 7edj by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2 (ACE2) ectodomain, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
7EDI
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BU of 7edi by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), two RBD-up conformation
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:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
4HIL
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BU of 4hil by Molmil
1.25A Resolution Structure of Rat Type B Cytochrome b5
Descriptor: Cytochrome b5 type B, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Lovell, S, Battaile, K.P, Parthasarathy, S, Sun, N, Terzyan, S, Zhang, X, Rivera, M, Kuczera, K, Benson, D.R.
Deposit date:2012-10-11
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:1.25A Resolution Structure of Rat Type B Cytochrome b5
To be Published
3BL2
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BU of 3bl2 by Molmil
Crystal Structure of M11, the BCL-2 Homolog of Murine Gamma-herpesvirus 68, Complexed with Mouse Beclin1 (residues 106-124)
Descriptor: Beclin-1, V-bcl-2
Authors:Oh, B.-H, Woo, J.-S, Ku, B.
Deposit date:2007-12-10
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Bases for the Inhibition of Autophagy and Apoptosis by Viral BCL-2 of Murine gamma-Herpesvirus 68
Plos Pathog., 4, 2008

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