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6DVK
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BU of 6dvk by Molmil
Computationally designed mini tetraloop-tetraloop receptor by the RNAMake program - construct 6 (miniTTR 6)
Descriptor: COBALT (II) ION, MAGNESIUM ION, RNA (95-MER)
Authors:Eiler, D.R, Yesselman, J.D, Costantino, D.A, Das, R, Kieft, J.S.
Deposit date:2018-06-24
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Computational design of three-dimensional RNA structure and function.
Nat Nanotechnol, 14, 2019
7MN0
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BU of 7mn0 by Molmil
N74D mutant of the HIV-1 capsid protein
Descriptor: IODIDE ION, capsid protein
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-04-30
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
7MKC
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BU of 7mkc by Molmil
N74D mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74)
Descriptor: IODIDE ION, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE, capsid protein
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-04-23
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
7MN2
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BU of 7mn2 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb2
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7NGE
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BU of 7nge by Molmil
Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the closed conformation
Descriptor: CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
Authors:Mirgaux, M, Wouters, J.
Deposit date:2021-02-09
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.
Int J Tryptophan Res, 14, 2021
7NFJ
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BU of 7nfj by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L28Y.
Descriptor: CC-Type2-(LaId)4-L28Y
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
6CCT
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BU of 6cct by Molmil
Fragment of GID4 in complex with a short peptide
Descriptor: Glucose-induced degradation protein 4 homolog, Tetrapeptide
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
7NFM
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BU of 7nfm by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21K.
Descriptor: CC-Type2-(LaId)4-L21K
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFO
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BU of 7nfo by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17C.
Descriptor: CC-Type2-(LaId)4-I17C
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFP
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BU of 7nfp by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K
Descriptor: CC-Type2-(LaId)4-I17K, GLYCEROL
Authors:Burton, A.J, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
2OTQ
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BU of 2otq by Molmil
Structure of the antimicrobial peptide cyclo(RRWFWR) bound to DPC micelles
Descriptor: cRW3 cationic antimicrobial peptide
Authors:Appelt, C, Wesselowski, A, Soderhall, J.A, Dathe, M, Schmieder, P.
Deposit date:2007-02-09
Release date:2007-12-25
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structures of cyclic, antimicrobial peptides in a membrane-mimicking environment define requirements for activity.
J.Pept.Sci., 14, 2007
7NFK
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BU of 7nfk by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S.
Descriptor: CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
6CU2
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BU of 6cu2 by Molmil
Structure of N-truncated R2-type pyocin tail fiber at 2.6 angstrom resolution
Descriptor: MAGNESIUM ION, NICKEL (II) ION, R2-type pyocin
Authors:Salazar, A.J, Sherekar, M, Saccettini, J.C.
Deposit date:2018-03-23
Release date:2019-02-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:R pyocin tail fiber structure reveals a receptor-binding domain with a lectin fold.
PLoS ONE, 14, 2019
6CUF
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BU of 6cuf by Molmil
Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody vFP1.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-03-26
Release date:2018-07-25
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
6CL2
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BU of 6cl2 by Molmil
Caspase-7 in complex with Ac-ATS009-KE
Descriptor: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20
Authors:Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2018-03-01
Release date:2019-03-06
Last modified:2020-09-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
2N10
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BU of 2n10 by Molmil
Solution structure of MyUb (1080-1131) of human Myosin VI
Descriptor: Unconventional myosin-VI
Authors:He, F, Ehlinger, A, Walters, K.
Deposit date:2015-03-20
Release date:2016-03-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Myosin VI Contains a Compact Structural Motif that Binds to Ubiquitin Chains.
Cell Rep, 14, 2016
6FER
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BU of 6fer by Molmil
Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
Descriptor: 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2
Authors:Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
Deposit date:2018-01-03
Release date:2018-11-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
7NFG
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BU of 7nfg by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFH
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BU of 7nfh by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFN
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BU of 7nfn by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21N-I24N.
Descriptor: CC-Type2-(LaId)4-L21N-I24N, HEXANE-1,6-DIOL
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
2OT3
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BU of 2ot3 by Molmil
Crystal structure of rabex-5 VPS9 domain in complex with nucleotide free RAB21
Descriptor: Rab5 GDP/GTP exchange factor, Ras-related protein Rab-21
Authors:Delprato, A, Lambright, D.
Deposit date:2007-02-07
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for Rab GTPase activation by VPS9 domain exchange factors.
Nat.Struct.Mol.Biol., 14, 2007
6EY8
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BU of 6ey8 by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, SULFATE ION, ...
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2017-11-11
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
2PEH
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BU of 2peh by Molmil
Crystal structure of the UHM domain of human SPF45 in complex with SF3b155-ULM5
Descriptor: Splicing factor 3B subunit 1, Splicing factor 45
Authors:Corsini, L, Basquin, J, Hothorn, M, Sattler, M.
Deposit date:2007-04-03
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:U2AF-homology motif interactions are required for alternative splicing regulation by SPF45.
Nat.Struct.Mol.Biol., 14, 2007
2P4E
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BU of 2p4e by Molmil
Crystal Structure of PCSK9
Descriptor: MERCURY (II) ION, Proprotein convertase subtilisin/kexin type 9
Authors:Cunningham, D, Danley, D.E, Geoghegan, F.K, Griffor, M.C, Hawkins, J.L, Qiu, X.
Deposit date:2007-03-12
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural and biophysical studies of PCSK9 and its mutants linked to familial hypercholesterolemia.
Nat.Struct.Mol.Biol., 14, 2007
6ESP
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BU of 6esp by Molmil
Proteome-wide analysis of phospho-regulated PDZ domain interactions
Descriptor: Protein scribble homolog
Authors:Chi, N.C.
Deposit date:2017-10-24
Release date:2018-09-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Proteome-wide analysis of phospho-regulated PDZ domain interactions.
Mol. Syst. Biol., 14, 2018

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PDB entries from 2024-08-07

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