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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
7NFL
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BU of 7nfl by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24N.
Descriptor: CC-Type2-(LaId)4-I24N
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 (1.44 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
3U6A
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BU of 3u6a by Molmil
Rational Design and Synthesis of Aminopiperazinones as Beta Secretase (BACE) Inhibitors
Descriptor: Beta-secretase 1, N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide, SULFATE ION
Authors:Spurlino, J.C, Alexander, R.S.
Deposit date:2011-10-12
Release date:2011-11-09
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Rational design and synthesis of aminopiperazinones as beta-secretase (BACE) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4OK7
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BU of 4ok7 by Molmil
Structure of bacteriophage SPN1S endolysin from Salmonella typhimurium
Descriptor: Endolysin, GLYCEROL, SULFATE ION
Authors:Park, Y, Lim, J, Kong, M, Ryu, S, Rhee, S.
Deposit date:2014-01-22
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of bacteriophage SPN1S endolysin reveals an unusual two-module fold for the peptidoglycan lytic and binding activity.
Mol.Microbiol., 92, 2014
4OKP
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BU of 4okp by Molmil
Crystal structure of AmpC beta-lactamase in complex with the product form of 7-amino-desacetoxycephalosporanic acid
Descriptor: (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Barelier, S.B, Shoichet, B.K.
Deposit date:2014-01-22
Release date:2014-05-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
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
7NFF
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BU of 7nff by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24A.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-(LaId)4-I24A, GLYCEROL
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 (1.55 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFI
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BU of 7nfi by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L7Y.
Descriptor: CC-Type2-(LaId)4-L7Y
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 (1.42 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
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
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
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
4O9U
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BU of 4o9u by Molmil
Mechanism of transhydrogenase coupling proton translocation and hydride transfer
Descriptor: NAD(P) transhydrogenase subunit alpha 2, NAD(P) transhydrogenase subunit beta, NAD/NADP transhydrogenase alpha subunit 1, ...
Authors:Leung, J.H, Yamaguchi, M, Moeller, A, Schurig-Briccio, L.A, Gennis, R.B, Potter, C.S, Carragher, B, Stout, C.D.
Deposit date:2014-01-02
Release date:2015-01-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (6.926 Å)
Cite:Structural biology. Division of labor in transhydrogenase by alternating proton translocation and hydride transfer.
Science, 347, 2015
3TUU
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BU of 3tuu by Molmil
Structure of dihydrodipicolinate synthase from the common grapevine
Descriptor: BROMIDE ION, CHLORIDE ION, dihydrodipicolinate synthase
Authors:Perugini, M.A, Dobson, R.C, Atkinson, S.C.
Deposit date:2011-09-19
Release date:2012-07-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal, Solution and In silico Structural Studies of Dihydrodipicolinate Synthase from the Common Grapevine.
Plos One, 7, 2012
3TU7
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BU of 3tu7 by Molmil
Human alpha-thrombin complexed with N-(methylsulfonyl)-D-phenylalanyl-N-((1-carbamimidoyl-4-piperidinyl)methyl)-l-prolinamide (BMS-189664)
Descriptor: Hirudin variant-2, N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide, Prothrombin
Authors:Malley, M, Sack, J.S.
Deposit date:2011-09-16
Release date:2011-10-12
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular design and structure-activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664.
Bioorg.Med.Chem.Lett., 12, 2002
3TYV
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BU of 3tyv by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase
Descriptor: N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Lesburg, C.A, Chen, K.X.
Deposit date:2011-09-26
Release date:2012-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
J.Med.Chem., 55, 2012
4ONJ
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BU of 4onj by Molmil
Crystal structure of the catalytic domain of ntDRM
Descriptor: DNA methyltransferase, SINEFUNGIN
Authors:Du, J, Patel, D.J.
Deposit date:2014-01-28
Release date:2014-06-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.807 Å)
Cite:Molecular Mechanism of Action of Plant DRM De Novo DNA Methyltransferases.
Cell(Cambridge,Mass.), 157, 2014
3U46
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BU of 3u46 by Molmil
CH04H/CH02L P212121
Descriptor: CH02 Light chain Fab, CH04 Heavy chain Fab
Authors:Louder, R, Pancera, M, McLellan, J.S, Kwong, P.D.
Deposit date:2011-10-07
Release date:2011-11-30
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3RH0
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BU of 3rh0 by Molmil
Corynebacterium glutamicum mycothiol/mycoredoxin1-dependent arsenate reductase Cg_ArsC2
Descriptor: ARSENATE REDUCTASE
Authors:Messens, J, Wahni, K, Dufe, T.V.
Deposit date:2011-04-11
Release date:2011-11-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:Corynebacterium glutamicum survives arsenic stress with arsenate reductases coupled to two distinct redox mechanisms
Mol.Microbiol., 82, 2011
7N2G
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BU of 7n2g by Molmil
MicroED structure of human CPEB3 segment(154-161) kinked polymorph phased by ARCIMBOLDO-BORGES
Descriptor: CPEB3
Authors:Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R.
Deposit date:2021-05-29
Release date:2022-06-01
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (1.201 Å)
Cite:Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
7N2K
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BU of 7n2k by Molmil
MicroED structure of sequence variant of repeat segment of the yeast prion New1p phased by ARCIMBOLDO-BORGES
Descriptor: prion New1p
Authors:Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R.
Deposit date:2021-05-29
Release date:2022-06-01
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (1.301 Å)
Cite:Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
7N2J
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BU of 7n2j by Molmil
MicroED structure of a mutant mammalian prion segment phased by ARCIMBOLDO-BORGES
Descriptor: prion protein
Authors:Richards, L.S, Flores, M.D, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R.
Deposit date:2021-05-29
Release date:2022-06-01
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (1.5 Å)
Cite:Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
7N2L
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BU of 7n2l by Molmil
MicroED structure of a mutant mammalian prion segment
Descriptor: prion protein
Authors:Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R.
Deposit date:2021-05-29
Release date:2022-06-01
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (0.9 Å)
Cite:Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023

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