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4YQX
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BU of 4yqx by Molmil
Mouse IL-2 Bound to JES6-1 scFv Fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-2, JES6-1 VH domain, ...
Authors:Spangler, J.B, Luca, V.C, Jude, K.M, Garcia, K.C.
Deposit date:2015-03-13
Release date:2015-07-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.826 Å)
Cite:Antibodies to Interleukin-2 Elicit Selective T Cell Subset Potentiation through Distinct Conformational Mechanisms.
Immunity, 42, 2015
7Z6R
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BU of 7z6r by Molmil
Psychrobacter arcticus ATPPRT (HisGZ) R56A mutant bound to ATP and PRPP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Alphey, M.S, Fisher, G, da Silva, R.G.
Deposit date:2022-03-14
Release date:2022-03-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
8XOK
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BU of 8xok by Molmil
Cryo-EM structure of human ABCC4
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, PALMITIC ACID
Authors:Zhang, P.F, Liu, Z.
Deposit date:2024-01-01
Release date:2024-07-24
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 598, 2024
8RRT
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BU of 8rrt by Molmil
Structure of rabbit RyR1 reconstituted into lipid liposomes in open state in complex with FKBP and Nb9657
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Li, C, Efremov, R.G.
Deposit date:2024-01-23
Release date:2024-10-09
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Rapid small-scale nanobody-assisted purification of ryanodine receptors for cryo-EM.
J.Biol.Chem., 300, 2024
8RRU
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BU of 8rru by Molmil
Structure of RyR1 reconstituted into lipid liposomes in primed state in complex with FKBP and Nb9657.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Li, C, Efremov, R.G.
Deposit date:2024-01-23
Release date:2024-10-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Rapid small-scale nanobody-assisted purification of ryanodine receptors for cryo-EM.
J.Biol.Chem., 300, 2024
8XOL
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BU of 8xol by Molmil
Cryo-EM structure of human ABCC4 with ANP bound in NBD1
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ...
Authors:Zhang, P.F, Liu, Z.
Deposit date:2024-01-01
Release date:2024-07-17
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 598, 2024
7TQO
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BU of 7tqo by Molmil
Structure of human TREX1
Descriptor: Three-prime repair exonuclease 1
Authors:Zhou, W, Richmond-Buccola, D, Kranzusch, P.J.
Deposit date:2022-01-26
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis of human TREX1 DNA degradation and autoimmune disease.
Nat Commun, 13, 2022
5MGK
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BU of 5mgk by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-propionyl-pyrrole derivative 2
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
8RRW
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BU of 8rrw by Molmil
Structure of RyR1 in detergent in open state in complex with FKBP and Nb9657.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Li, C, Efremov, R.G.
Deposit date:2024-01-23
Release date:2024-10-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Rapid small-scale nanobody-assisted purification of ryanodine receptors for cryo-EM.
J.Biol.Chem., 300, 2024
7Z8U
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BU of 7z8u by Molmil
Catalytic subunit HisG R56A mutant from Psychrobacter arcticus ATPPRT (HisGZ) in complex with ATP and PRPP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Alphey, M.S, Fisher, G, da Silva, R.G.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
8JAG
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BU of 8jag by Molmil
Cryo-EM structure of SARS-CoV-1 RBD in complex with W328-6H2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H chain of 6H2 Fab region, L chain of 6H2 Fab region, ...
Authors:Nan, X.Y, Li, Y.J.
Deposit date:2023-05-06
Release date:2024-12-18
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Cryo-EM structure of SARS-CoV-1 2p RBD in complex with W328-6H2 ( local refinement)
To Be Published
8RS0
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BU of 8rs0 by Molmil
Structure of RyR1 in detergent in primed state in complex with nanobody and FKBP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Li, C, Efremov, R.G.
Deposit date:2024-01-24
Release date:2024-10-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Rapid small-scale nanobody-assisted purification of ryanodine receptors for cryo-EM.
J.Biol.Chem., 300, 2024
3N2P
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BU of 3n2p by Molmil
Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor
Descriptor: 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R.
Deposit date:2010-05-18
Release date:2011-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency.
Chem.Commun.(Camb.), 46, 2010
8RRX
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BU of 8rrx by Molmil
Structure of RyR1 reconstituted into lipid nanodisc in primed state in complex with Ca2+, ATP, caffeine and Nb9657
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ...
Authors:Li, C, Efremov, R.G.
Deposit date:2024-01-23
Release date:2024-10-09
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Rapid small-scale nanobody-assisted purification of ryanodine receptors for cryo-EM.
J.Biol.Chem., 300, 2024
8XOM
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BU of 8xom by Molmil
Cryo-EM structure of human ABCC4 in complex with ANP-bound in NBD1 and METHOTREXATE
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ...
Authors:Zhang, P.F, Liu, Z.
Deposit date:2024-01-01
Release date:2024-07-17
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 598, 2024
8S00
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BU of 8s00 by Molmil
CpKRS complexed with lysine and an inhibitor
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-oxidanyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, GLYCEROL, ...
Authors:Dawson, A, Baragana, B, Caldwell, N.
Deposit date:2024-02-13
Release date:2024-11-06
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cryptosporidium lysyl-tRNA synthetase inhibitors define the interplay between solubility and permeability required to achieve efficacy.
Sci Transl Med, 16, 2024
8RZA
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BU of 8rza by Molmil
Ribonuclease W
Descriptor: MAGNESIUM ION, PHOSPHATE ION, Probable ribonuclease FAU-1, ...
Authors:Vayssieres, M, Blaud, M, Leulliot, N.
Deposit date:2024-02-12
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:RNase W, a conserved ribonuclease family with a novel active site.
Nucleic Acids Res., 52, 2024
6EM5
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BU of 6em5 by Molmil
State D architectural model (Nsa1-TAP Flag-Ytm1) - Visualizing the assembly pathway of nucleolar pre-60S ribosomes
Descriptor: 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 25S ribosomal RNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ...
Authors:Kater, L, Cheng, J, Barrio-Garcia, C, Hurt, E, Beckmann, R.
Deposit date:2017-10-01
Release date:2017-12-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Visualizing the Assembly Pathway of Nucleolar Pre-60S Ribosomes.
Cell, 171, 2017
7Z51
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BU of 7z51 by Molmil
Tick-borne encephalitis virus Kuutsalo-14
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
Authors:Pulkkinen, L.I.A, Barrass, S.V, Anastasina, M, Butcher, S.J.
Deposit date:2022-03-07
Release date:2022-04-20
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular Organisation of Tick-Borne Encephalitis Virus.
Viruses, 14, 2022
6H39
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BU of 6h39 by Molmil
Yeast 20S proteasome in complex with the peptidic non-covalent binding inhibitor RTS-V5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Groll, M, Hansen, F.K.
Deposit date:2018-07-17
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 2018
9BGL
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BU of 9bgl by Molmil
Complex of Zinc Finger Antiviral Protein RBD and KHNYN CTD
Descriptor: 1,2-ETHANEDIOL, Protein KHNYN, ZINC ION, ...
Authors:Meagher, J.L, Smith, J.L.
Deposit date:2024-04-19
Release date:2025-01-22
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Functional anatomy of zinc finger antiviral protein complexes.
Nat Commun, 15, 2024
3MZC
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BU of 3mzc by Molmil
Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor
Descriptor: 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R.
Deposit date:2010-05-12
Release date:2011-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency.
Chem.Commun.(Camb.), 46, 2010
4MXW
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BU of 4mxw by Molmil
Structure of heterotrimeric lymphotoxin LTa1b2 bound to lymphotoxin beta receptor LTbR and anti-LTa Fab
Descriptor: Lymphotoxin-alpha, Lymphotoxin-beta, Tumor necrosis factor receptor superfamily member 3, ...
Authors:Sudhamsu, J, Yin, J.P, Hymowitz, S.G.
Deposit date:2013-09-26
Release date:2013-11-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction.
Proc.Natl.Acad.Sci.USA, 110, 2013
8WXW
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BU of 8wxw by Molmil
Falcilysin in complex with hemoglobin alpha chain peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Falcilysin, ...
Authors:Lin, J.Q, Lescar, J.
Deposit date:2023-10-30
Release date:2024-08-07
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Inhibition of falcilysin from Plasmodium falciparum by interference with its closed-to-open dynamic transition.
Commun Biol, 7, 2024
9HYT
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BU of 9hyt by Molmil
Crystal structure of the GFRaL receptor in complex with an inhibitory cyclic peptide
Descriptor: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, ACETIC ACID, GDNF family receptor alpha-like, ...
Authors:Sandmark, J, Ek, M.
Deposit date:2025-01-10
Release date:2025-10-22
Last modified:2025-11-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Bicyclic Peptide Tandems Mimicking the Homodimeric GDF15 Protein to Inhibit GDF15-GFRaL-RET Complex Cell Signaling.
J.Med.Chem., 68, 2025

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