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8BVX
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BU of 8bvx by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13264
Descriptor: 1,2-ETHANEDIOL, N-glycosylase/DNA lyase, NICKEL (II) ION, ...
Authors:Scaletti, E, Stenmark, P.
Deposit date:2022-12-05
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13264
To Be Published
2QOS
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BU of 2qos by Molmil
Crystal structure of complement protein C8 in complex with a peptide containing the C8 binding site on C8
Descriptor: Complement component 8, gamma polypeptide, Complement component C8 alpha chain
Authors:Lovelace, L.L, Chiswell, B, Slade, D.J, Sodetz, J.M, Lebioda, L.
Deposit date:2007-07-20
Release date:2007-10-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of complement protein C8gamma in complex with a peptide containing the C8gamma binding site on C8alpha: Implications for C8gamma ligand binding.
Mol.Immunol., 45, 2008
4NXH
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BU of 4nxh by Molmil
2'-Trifluoromethylthiouridine-modified E. coli 23S rRNA Sarcin Ricin Loop
Descriptor: 23S ribosomal RNA Sarcin Ricin Loop, GLYCEROL, SULFATE ION
Authors:Ennifar, E, Micura, R, Kosutic, M.
Deposit date:2013-12-09
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.158 Å)
Cite:Surprising base pairing and structural properties of 2'-trifluoromethylthio-modified ribonucleic acids.
J.Am.Chem.Soc., 136, 2014
3HLP
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BU of 3hlp by Molmil
Carboxypeptidase A liganded to an organic small-molecule: conformational changes
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Carboxypeptidase A1 (Pancreatic), ...
Authors:Fernandez, D.
Deposit date:2009-05-28
Release date:2010-06-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carboxypeptidase A liganded to an organic small-molecule: conformational
To be Published
7DTZ
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BU of 7dtz by Molmil
FGFR4 complex with a covalent inhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION
Authors:Chen, X.J, Dai, S.Y, Chen, Y.H.
Deposit date:2021-01-07
Release date:2021-04-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5B1R
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BU of 5b1r by Molmil
Crystal structure of mouse CD72a CTLD
Descriptor: ACETATE ION, B-cell differentiation antigen CD72, GLYCEROL
Authors:Shinagawa, K, Numoto, N, Tsubata, T, Ito, N.
Deposit date:2015-12-15
Release date:2016-10-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:CD72 negatively regulates B lymphocyte responses to the lupus-related endogenous toll-like receptor 7 ligand Sm/RNP
J.Exp.Med., 213, 2016
1GQH
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BU of 1gqh by Molmil
Quercetin 2,3-dioxygenase in complex with the inhibitor kojic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE, ...
Authors:Steiner, R.A, Dijkstra, B.W.
Deposit date:2001-11-23
Release date:2002-06-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Functional Analysis of the Copper-Dependent Quercetin 2,3-Dioxygenase.1.Ligand-Induced Coordination Changes Probed by X-Ray Crystallography: Inhibition, Ordering Effect and Mechanistic Insights
Biochemistry, 41, 2002
8C18
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BU of 8c18 by Molmil
Solution structure of carotenoid-binding protein AstaPo1 in complex with astaxanthin
Descriptor: ASTAXANTHIN, Astaxanthin binding fasciclin family protein
Authors:Kornilov, F.D, Savitskaya, A.G, Slonimskiy, Y.B, Goncharuk, S.A, Sluchanko, N.N, Mineev, K.S.
Deposit date:2022-12-20
Release date:2023-04-05
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural basis for the ligand promiscuity of the neofunctionalized, carotenoid-binding fasciclin domain protein AstaP.
Commun Biol, 6, 2023
7P7A
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BU of 7p7a by Molmil
SARS-CoV-2 spike protein in complex with sybody#68 in a 2up/1flexible 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.76 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P77
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BU of 7p77 by Molmil
SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 3up 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P78
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BU of 7p78 by Molmil
SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 1up/1up-out/1down 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P79
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BU of 7p79 by Molmil
SARS-CoV-2 spike protein in complex with sybodyb#15 in a 1up/1up-out/1down 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P7B
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BU of 7p7b by Molmil
SARS-CoV-2 spike protein in complex with sybody no68 in a 1up/2down conformation
Descriptor: Spike glycoprotein
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
3MCV
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BU of 3mcv by Molmil
Structure of PTR1 from Trypanosoma brucei in ternary complex with 2,4-diamino-5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]-pyrimidine and NADP+
Descriptor: 5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2010-03-29
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution structures of Trypanosoma brucei pteridine reductase ligand complexes inform on the placement of new molecular entities in the active site of a potential drug target.
Acta Crystallogr.,Sect.D, 66, 2010
1R4S
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BU of 1r4s by Molmil
URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR 9-METHYL URIC ACID
Descriptor: 9-METHYL URIC ACID, CYSTEINE, Uricase
Authors:Retailleau, P, Colloc'h, N, Prange, T.
Deposit date:2003-10-08
Release date:2004-03-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode.
Acta Crystallogr.,Sect.D, 60, 2004
1SEJ
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BU of 1sej by Molmil
Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, ...
Authors:Anderson, A.C.
Deposit date:2004-02-17
Release date:2004-05-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Two crystal structures of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveal protein-ligand interactions including a structural basis for observed antifolate resistance.
Acta Crystallogr.,Sect.F, 61, 2005
4ZWC
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BU of 4zwc by Molmil
Crystal structure of maltose-bound human GLUT3 in the outward-open conformation at 2.6 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
Authors:Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
Deposit date:2015-05-19
Release date:2015-07-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
4ZW9
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BU of 4zw9 by Molmil
Crystal structure of human GLUT3 bound to D-glucose in the outward-occluded conformation at 1.5 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
Authors:Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
Deposit date:2015-05-19
Release date:2015-07-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
3MUR
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BU of 3mur by Molmil
Crystal Structure of the C92U mutant c-di-GMP riboswith bound to c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), C92U mutant c-di-GMP riboswitch, MAGNESIUM ION, ...
Authors:Strobel, S.A, Smith, K.D.
Deposit date:2010-05-03
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch .
Biochemistry, 49, 2010
4CDA
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BU of 4cda by Molmil
Spectroscopically-validated structure of ferric cytochrome c prime from Alcaligenes xylosoxidans
Descriptor: CYTOCHROME C', HEME C, SULFATE ION
Authors:Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A.
Deposit date:2013-10-30
Release date:2014-05-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy.
Acta Crystallogr.,Sect.D, 70, 2014
3MUM
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BU of 3mum by Molmil
Crystal Structure of the G20A mutant c-di-GMP riboswith bound to c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), G20A mutant c-di-GMP Riboswitch, MAGNESIUM ION, ...
Authors:Strobel, S.A, Smith, K.D.
Deposit date:2010-05-03
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch .
Biochemistry, 49, 2010
6UHO
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BU of 6uho by Molmil
Crystal Structure of C148 mGFP-cDNA-2
Descriptor: C148 mGFP-cDNA-2, UNKNOWN LIGAND
Authors:Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A.
Deposit date:2019-09-27
Release date:2020-03-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
3MUV
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BU of 3muv by Molmil
Crystal Structure of the G20A/C92U mutant c-di-GMP riboswith bound to c-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, G20A/C92U mutant c-di-GMP riboswitch, MAGNESIUM ION, ...
Authors:Strobel, S.A, Smith, K.D.
Deposit date:2010-05-03
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch .
Biochemistry, 49, 2010
5LSP
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BU of 5lsp by Molmil
107_A07 Fab in complex with fragment of the Met receptor
Descriptor: 107_A07 Fab heavy chain, 107_A07 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:DiCara, D, Chirgadze, D.Y, Pope, A, Karatt-Vellatt, A, Winter, A, van den Heuvel, J, Gherardi, E, McCafferty, J.
Deposit date:2016-09-05
Release date:2017-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.605 Å)
Cite:Characterization and structural determination of a new anti-MET function-blocking antibody with binding epitope distinct from the ligand binding domain.
Sci Rep, 7, 2017
2AXT
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BU of 2axt by Molmil
Crystal Structure of Photosystem II from Thermosynechococcus elongatus
Descriptor: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Loll, B, Kern, J, Saenger, W, Zouni, A, Biesiadka, J.
Deposit date:2005-09-06
Release date:2005-12-27
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Towards complete cofactor arrangement in the 3.0 A resolution structure of photosystem II
NATURE, 438, 2005

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