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4N6U
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BU of 4n6u by Molmil
Adhiron: a stable and versatile peptide display scaffold - truncated adhiron
Descriptor: Adhiron
Authors:Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
Deposit date:2013-10-14
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
4N6T
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BU of 4n6t by Molmil
Adhiron: a stable and versatile peptide display scaffold - full length adhiron
Descriptor: Adhiron
Authors:Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
Deposit date:2013-10-14
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
1RH4
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BU of 1rh4 by Molmil
RH4 DESIGNED RIGHT-HANDED COILED COIL TETRAMER
Descriptor: ISOPROPYL ALCOHOL, RIGHT-HANDED COILED COIL TETRAMER
Authors:Harbury, P.B, Plecs, J.J, Tidor, B, Alber, T, Kim, P.S.
Deposit date:1998-10-07
Release date:1998-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution protein design with backbone freedom.
Science, 282, 1998
1SOO
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BU of 1soo by Molmil
ADENYLOSUCCINATE SYNTHETASE INHIBITED BY HYDANTOCIDIN 5'-MONOPHOSPHATE
Descriptor: ADENYLOSUCCINATE SYNTHETASE, BETA-MERCAPTOETHANOL, HYDANTOCIDIN-5'-PHOSPHATE, ...
Authors:Cowan-Jacob, S.W.
Deposit date:1996-05-07
Release date:1997-09-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The mode of action and the structure of a herbicide in complex with its target: binding of activated hydantocidin to the feedback regulation site of adenylosuccinate synthetase.
Proc.Natl.Acad.Sci.USA, 93, 1996
1SON
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BU of 1son by Molmil
ADENYLOSUCCINATE SYNTHETASE IN COMPLEX WITH THE NATURAL FEEDBACK INHIBITOR AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE SYNTHETASE, BETA-MERCAPTOETHANOL
Authors:Cowan-Jacob, S.W.
Deposit date:1996-05-07
Release date:1997-09-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The mode of action and the structure of a herbicide in complex with its target: binding of activated hydantocidin to the feedback regulation site of adenylosuccinate synthetase.
Proc.Natl.Acad.Sci.USA, 93, 1996
7T03
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BU of 7t03 by Molmil
NMR structure of a designed cold unfolding four helix bundle
Descriptor: Cold unfolding four helix bundle
Authors:Pulavarti, S, Szyperski, T, Yuen, S, Maguire, J, Griffin, J, Kuhlman, B.
Deposit date:2021-11-29
Release date:2022-03-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:From Protein Design to the Energy Landscape of a Cold Unfolding Protein.
J.Phys.Chem.B, 126, 2022
6DKV
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BU of 6dkv by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 21 round 5
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, DI(HYDROXYETHYL)ETHER, Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-05-30
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6DC1
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BU of 6dc1 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 25 round 7
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-nitro-2-oxidanyl-benzenecarbonitrile, ...
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6DNJ
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BU of 6dnj by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 28 round 5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1,2-benzoxazole, Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-06-06
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6CT3
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BU of 6ct3 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, GLYCEROL, Kemp eliminase, ...
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-03-22
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
3TES
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BU of 3tes by Molmil
Crystal Structure of Tencon
Descriptor: Tencon
Authors:Luo, J, Jacobs, S, Teplyakov, A, Obmolova, G, O'Neil, K, Gilliland, G.
Deposit date:2011-08-15
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of novel FN3 domains with high stability by a consensus sequence approach.
Protein Eng.Des.Sel., 25, 2012
3TEU
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BU of 3teu by Molmil
Crystal structure of fibcon
Descriptor: 1,4-DIETHYLENE DIOXIDE, Fibcon
Authors:Luo, J, Jacobs, S, Teplyakov, A, Obmolova, G, O'Neil, K, Gilliland, G.
Deposit date:2011-08-15
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.002 Å)
Cite:Design of novel FN3 domains with high stability by a consensus sequence approach.
Protein Eng.Des.Sel., 25, 2012
6Z1L
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BU of 6z1l by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12
Descriptor: 1,2-ETHANEDIOL, BH32.12 protein, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-05-13
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
6Z1K
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BU of 6z1k by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.6
Descriptor: 1,2-ETHANEDIOL, BH32.6 protein, CALCIUM ION, ...
Authors:Levy, C.W.
Deposit date:2020-05-13
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
8R3D
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BU of 8r3d by Molmil
Crystal structure of Pent only at pH 8.8
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller
Authors:Flood, R.J, Crowley, P.B.
Deposit date:2023-11-08
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
8R3B
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BU of 8r3b by Molmil
Cocrystal form I of the Pent - sulfonato-calix[8]arene complex
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene
Authors:Flood, R.J, Crowley, P.B.
Deposit date:2023-11-08
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
8R3C
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BU of 8r3c by Molmil
Cocrystal form II of the Pent - sulfonato-calix[8]arene complex
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene
Authors:Flood, R.J, Crowley, P.B.
Deposit date:2023-11-08
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
1CLI
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BU of 1cli by Molmil
X-RAY CRYSTAL STRUCTURE OF AMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE (PURM), FROM THE E. COLI PURINE BIOSYNTHETIC PATHWAY, AT 2.5 A RESOLUTION
Descriptor: PROTEIN (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE), SULFATE ION
Authors:Li, C, Kappock, T.J, Stubbe, J, Weaver, T.M, Ealick, S.E.
Deposit date:1999-04-28
Release date:1999-10-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray crystal structure of aminoimidazole ribonucleotide synthetase (PurM), from the Escherichia coli purine biosynthetic pathway at 2.5 A resolution.
Structure Fold.Des., 7, 1999
1DNL
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BU of 1dnl by Molmil
X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH FMN AT 1.8 ANGSTROM RESOLUTION
Descriptor: FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXINE 5'-PHOSPHATE OXIDASE
Authors:Safo, M.K, Mathews, I, Musayev, F.N, di Salvo, M.L, Thiel, D.J, Abraham, D.J, Schirch, V.
Deposit date:1999-12-16
Release date:2000-01-05
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with FMN at 1.8 A resolution.
Structure Fold.Des., 8, 2000
4OFC
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BU of 4ofc by Molmil
2.0 Angstroms X-ray crystal structure of human 2-amino-3-carboxymuconate-6-semialdehye decarboxylase
Descriptor: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, ZINC ION
Authors:Huo, L, Liu, F, Iwaki, H, Chen, L, Hasegawa, Y, Liu, A.
Deposit date:2014-01-14
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
3U13
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BU of 3u13 by Molmil
Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-29
Release date:2011-11-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3TWE
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BU of 3twe by Molmil
Crystal Structure of the de novo designed peptide alpha4H
Descriptor: ACETYL GROUP, TRIETHYLENE GLYCOL, alpha4H
Authors:Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2011-09-21
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
6PNR
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BU of 6pnr by Molmil
A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ
Descriptor: Alpha-glucosidase, SULFATE ION, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid
Authors:Jarva, M.A, Lingford, J.P, John, A, Goddard-Borger, E.D.
Deposit date:2019-07-03
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ
To Be Published
2CXG
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BU of 2cxg by Molmil
CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED TO THE INHIBITOR ACARBOSE
Descriptor: 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ...
Authors:Strokopytov, B.V, Uitdehaag, J.C.M, Ruiterkamp, R, Dijkstra, B.W.
Deposit date:1998-05-08
Release date:1998-10-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structure of cyclodextrin glycosyltransferase complexed with acarbose. Implications for the catalytic mechanism of glycosidases.
Biochemistry, 34, 1995
7SGE
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BU of 7sge by Molmil
I53-50 nanoparticle core reconstructed from GPC-I53-50NP by focused refinement
Descriptor: I53-50B component, Josiah GPCysR4-I53-50A - nanoparticle component
Authors:Antanasijevic, A, Brouwer, P.J.M, Ward, A.B.
Deposit date:2021-10-05
Release date:2022-10-12
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Lassa virus glycoprotein nanoparticles elicit neutralizing antibody responses and protection.
Cell Host Microbe, 30, 2022

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