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3LI0
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BU of 3li0 by Molmil
Crystal structure of the mutant R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-01-23
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
3LTD
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BU of 3ltd by Molmil
X-ray structure of a non-biological ATP binding protein determined at 2.8 A by multi-wavelength anomalous dispersion
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP BINDING PROTEIN-DX, CHLORIDE ION, ...
Authors:Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C.
Deposit date:2010-02-15
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
3LTC
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BU of 3ltc by Molmil
X-ray structure of a non-biological ATP binding protein determined in the presence of 10 mM ATP at 2.0 A by multi-wavelength anomalous dispersion
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP BINDING PROTEIN-DX, CHLORIDE ION, ...
Authors:Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C.
Deposit date:2010-02-15
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
3LTA
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BU of 3lta by Molmil
Crystal structure of a non-biological ATP binding protein with a TYR-PHE mutation within the ligand binding domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP BINDING PROTEIN-DX, CHLORIDE ION, ...
Authors:Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C.
Deposit date:2010-02-15
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
7BQS
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BU of 7bqs by Molmil
Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology
Descriptor: Nomur
Authors:Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N.
Deposit date:2020-03-25
Release date:2021-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
7BQR
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BU of 7bqr by Molmil
Solution NMR structure of fold-K Mussoc; de novo designed protein with an asymmetric all-alpha topology
Descriptor: Mussoc
Authors:Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N.
Deposit date:2020-03-25
Release date:2021-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
5HKN
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BU of 5hkn by Molmil
Crystal structure de novo designed fullerene organizing protein complex with fullerene
Descriptor: (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein
Authors:Paul, J, Acharya, R, Kim, K.-H, Kim, Y.H, Kim, N.H, Grigoryan, G, DeGardo, W.F.
Deposit date:2016-01-14
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
5HKR
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BU of 5hkr by Molmil
Crystal structure of de novo designed fullerene organising protein complex with fullerene
Descriptor: (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein
Authors:Acharya, R, Kim, Y.H, Grigoryan, G, DeGardo, W.F.
Deposit date:2016-01-14
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
7MWQ
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BU of 7mwq by Molmil
Structure of De Novo designed beta sheet heterodimer LHD29A53/B53
Descriptor: LHD29A53, LHD29B53
Authors:Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D.
Deposit date:2021-05-17
Release date:2022-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
7MWR
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BU of 7mwr by Molmil
Structure of De Novo designed beta sheet heterodimer LHD101A53/B4
Descriptor: LHD101A54, LHD101B4, MALONATE ION
Authors:Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D.
Deposit date:2021-05-17
Release date:2022-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
8C3W
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BU of 8c3w by Molmil
Crystal structure of a computationally designed heme binding protein, dnHEM1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Ortmayer, M, Levy, C.
Deposit date:2022-12-29
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
J.Am.Chem.Soc., 145, 2023
4DAC
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BU of 4dac by Molmil
Crystal Structure of Computationally Designed Protein P6d
Descriptor: Computationally designed crystal forming protein P6d
Authors:Lanci, C.J, MacDermaid, C.M, Saven, J.G.
Deposit date:2012-01-12
Release date:2012-05-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Computational design of a protein crystal.
Proc.Natl.Acad.Sci.USA, 109, 2012
6XI6
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BU of 6xi6 by Molmil
Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks
Descriptor: helical fusion design
Authors:Bera, A.K, Hsia, Y, Kang, A.S, Shankaran, B, Baker, D.
Deposit date:2020-06-19
Release date:2021-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6XH5
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BU of 6xh5 by Molmil
Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks
Descriptor: helical fusion design
Authors:Bera, A.K, Hsia, Y, Kang, A.S, Baker, D.
Deposit date:2020-06-18
Release date:2021-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6XR1
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BU of 6xr1 by Molmil
Computationally designed right-handed alpha/alpha single-chain toroid with 9 repeats
Descriptor: dTor_9x57R
Authors:Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
Deposit date:2020-07-10
Release date:2021-07-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
6XR2
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BU of 6xr2 by Molmil
Computationally designed right-handed alpha/alpha homotrimeric toroid with 3 repeats per subunit
Descriptor: dTor_3x57R
Authors:Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
Deposit date:2020-07-10
Release date:2021-07-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
5WKP
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BU of 5wkp by Molmil
Crystal Structure of the Human mitochondrial Cysteine Desulfurase in complex with ISD11 and Iron-Sulfur Cluster Scaffold Protein ISCU1, and E. coli ACP1 protein at 3.15A
Descriptor: Acyl carrier protein, Cysteine desulfurase, mitochondrial, ...
Authors:Boniecki, M.T, Cygler, M.
Deposit date:2017-07-25
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure and functional dynamics of the mitochondrial Fe/S cluster synthesis complex.
Nat Commun, 8, 2017
6GYB
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BU of 6gyb by Molmil
Cryo-EM structure of the bacteria-killing type IV secretion system core complex from Xanthomonas citri
Descriptor: VirB10 protein, VirB7, VirB9 protein
Authors:Sgro, G.G, Costa, T.R.D, Farah, C.S, Waksman, G.
Deposit date:2018-06-28
Release date:2018-10-24
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Cryo-EM structure of the bacteria-killing type IV secretion system core complex from Xanthomonas citri.
Nat Microbiol, 3, 2018
7BO9
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BU of 7bo9 by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe).
Descriptor: CC-Type2-(VaYd)4-Y3F-W19(BrPhe), GLYCEROL
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2021-01-24
Release date:2021-05-19
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
7BO8
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BU of 7bo8 by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F.
Descriptor: 1,2-ETHANEDIOL, CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F, OXAMIC ACID
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2021-01-24
Release date:2021-05-19
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
7BOA
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BU of 7boa by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(YaFd)4-W19(BrPhe).
Descriptor: CC-Type2-(YaFd)4-W19(BrPhe)
Authors:Rhys, G.G, Martin, F.J.O, Brady, R.L, Woolfson, D.N.
Deposit date:2021-01-24
Release date:2021-05-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
5WLW
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BU of 5wlw by Molmil
Crystal Structure of the Human Mitochondrial Cysteine Desulfurase with active Cysteine Loop within ISCU1 active site, coordinating Zn ion. Complexed with human ISD11 and E. coli ACP1 at 3.3A.
Descriptor: Acyl carrier protein, Cysteine desulfurase, mitochondrial, ...
Authors:Boniecki, M.T, Cygler, M.
Deposit date:2017-07-27
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.317 Å)
Cite:Structure and functional dynamics of the mitochondrial Fe/S cluster synthesis complex.
Nat Commun, 8, 2017
8USK
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BU of 8usk by Molmil
Crystal Structure of Kemp Eliminase HG185 in unbound state, 280 K
Descriptor: Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USE
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BU of 8use by Molmil
Crystal Structure of Kemp Eliminase HG649 in unbound state, 280 K
Descriptor: Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USI
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BU of 8usi by Molmil
Crystal Structure of Kemp Eliminase HG198 in unbound state, 280 K
Descriptor: Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024

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