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1JY6
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BU of 1jy6 by Molmil
B4DIMERA: A DE NOVO DESIGNED FOUR-STRANDED BETA-SHEET ASSEMBLED USING A DISULFIDE BOND
Descriptor: B4DIMER
Authors:Venkatraman, J, Nagana Gowda, G.A, Balaram, P.
Deposit date:2001-09-11
Release date:2002-06-12
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Design and construction of an open multistranded beta-sheet polypeptide stabilized by a disulfide bridge.
J.Am.Chem.Soc., 124, 2002
3JCI
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BU of 3jci by Molmil
2.9 Angstrom Resolution Cryo-EM 3-D Reconstruction of Close-packed PCV2 Virus-like Particles
Descriptor: Capsid protein
Authors:Liu, Z, Guo, F, Wang, F, Li, T.C, Jiang, W.
Deposit date:2015-12-13
Release date:2016-02-03
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:2.9 angstrom Resolution Cryo-EM 3D Reconstruction of Close-Packed Virus Particles.
Structure, 24, 2016
8ATV
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BU of 8atv by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with 5-mer RNA, pppGpGpApApA (IC5)
Descriptor: DNA (36-MER), DNA-directed RNA polymerase, mitochondrial, ...
Authors:Goovaerts, Q, Shen, J, Patel, S.S, Das, K.
Deposit date:2022-08-24
Release date:2023-08-30
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
8ATW
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BU of 8atw by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with 6-mer RNA, pppGpGpApApApU (IC6)
Descriptor: DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Goovaerts, Q, Shen, J, Patel, S.S, Das, K.
Deposit date:2022-08-24
Release date:2023-08-30
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
8ATT
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BU of 8att by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with 4-mer RNA, pppGpGpUpA (IC4)
Descriptor: DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Goovaerts, Q, Shen, J, Patel, S.S, Das, K.
Deposit date:2022-08-24
Release date:2023-08-30
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
6NLB
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BU of 6nlb by Molmil
Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-apo
Descriptor: Immunoglobulin G-binding protein G, MAGNESIUM ION
Authors:Maniaci, B, Stec, B, Huxford, T.
Deposit date:2019-01-08
Release date:2019-01-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
6NL8
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BU of 6nl8 by Molmil
Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-zinc
Descriptor: CHLORIDE ION, Immunoglobulin G-binding protein G, ZINC ION
Authors:Maniaci, B, Stec, B, Huxford, T.
Deposit date:2019-01-08
Release date:2019-01-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
6NZU
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BU of 6nzu by Molmil
Structure of the human frataxin-bound iron-sulfur cluster assembly complex
Descriptor: Acyl carrier protein, Cysteine desulfurase, mitochondrial, ...
Authors:Fox, N.G, Yu, X, Xidong, F, Alain, M, Joseph, N, Claire, S.D, Christine, B, Han, S, Yue, W.W.
Deposit date:2019-02-14
Release date:2019-05-22
Last modified:2019-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the human frataxin-bound iron-sulfur cluster assembly complex provides insight into its activation mechanism.
Nat Commun, 10, 2019
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
4OIO
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BU of 4oio by Molmil
Crystal structure of Thermus thermophilus pre-insertion substrate complex for de novo transcription initiation
Descriptor: 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
1JY4
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BU of 1jy4 by Molmil
B4DIMER: A DE NOVO DESIGNED EIGHT-STRANDED BETA-SHEET ASSEMBLED USING A DISULFIDE BOND
Descriptor: B4DIMER
Authors:Venkatraman, J, Nagana Gowda, G.A, Balaram, P.
Deposit date:2001-09-11
Release date:2002-06-12
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Design and construction of an open multistranded beta-sheet polypeptide stabilized by a disulfide bridge.
J.Am.Chem.Soc., 124, 2002
4NDL
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BU of 4ndl by Molmil
Computational design and experimental verification of a symmetric homodimer
Descriptor: ENH-c2b, computational designed homodimer
Authors:Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L.
Deposit date:2013-10-26
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Computational design and experimental verification of a symmetric protein homodimer.
Proc.Natl.Acad.Sci.USA, 112, 2015
1QCZ
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BU of 1qcz by Molmil
CRYSTAL STRUCTURE OF E. COLI PURE, AN UNUSUAL MUTASE THAT CATALYZES THE CONVERSION OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (N5-CAIR) TO 4-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (CAIR) IN THE PURINE BIOSYNTHETIC PATHWAY
Descriptor: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE
Authors:Ealick, S.E, Mathews, I.I.
Deposit date:1999-05-10
Release date:1999-11-10
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway.
Structure Fold.Des., 7, 1999
1C3T
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BU of 1c3t by Molmil
ROTAMER STRAIN AS A DETERMINANT OF PROTEIN STRUCTURAL SPECIFICITY
Descriptor: PROTEIN (1D8 UBIQUITIN)
Authors:Lazar, G.A, Johnson, E.C, Desjarlais, J.R, Handel, T.M.
Deposit date:1999-07-28
Release date:1999-08-20
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Rotamer strain as a determinant of protein structural specificity.
Protein Sci., 8, 1999
7OMM
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BU of 7omm by Molmil
Cryo-EM structure of N. gonorhoeae LptDE in complex with ProMacrobodies (MBPs have not been built de novo)
Descriptor: LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ProMacrobody 21,Maltodextrin-binding protein, ...
Authors:Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M.
Deposit date:2021-05-24
Release date:2022-05-04
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
7P19
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BU of 7p19 by Molmil
Crystal structure of SARS-CoV-2 RBD Q498Y complexed with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Erausquin, E, Lopez-Sagaseta, J.
Deposit date:2021-07-01
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural bases for the higher adherence to ACE2 conferred by the SARS-CoV-2 spike Q498Y substitution.
Acta Crystallogr D Struct Biol, 78, 2022
1D3G
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BU of 1d3g by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH BREQUINAR ANALOG
Descriptor: 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
Authors:Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J.
Deposit date:1999-09-29
Release date:2000-09-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents.
Structure Fold.Des., 8, 2000
1D3H
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BU of 1d3h by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726
Descriptor: (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ...
Authors:Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J.
Deposit date:1999-09-29
Release date:2000-08-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents.
Structure Fold.Des., 8, 2000
1F1O
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BU of 1f1o by Molmil
STRUCTURAL STUDIES OF ADENYLOSUCCINATE LYASES
Descriptor: ADENYLOSUCCINATE LYASE
Authors:Toth, E.A, Yeates, T.
Deposit date:2000-05-19
Release date:2001-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The crystal structure of adenylosuccinate lyase from Pyrobaculum aerophilum reveals an intracellular protein with three disulfide bonds.
J.Mol.Biol., 301, 2000
1GSO
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BU of 1gso by Molmil
GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE (GAR-SYN) FROM E. COLI.
Descriptor: PROTEIN (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE)
Authors:Wang, W, Kappock, T.J, Stubbe, J, Ealick, S.E.
Deposit date:1998-09-08
Release date:1998-12-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystal structure of glycinamide ribonucleotide synthetase from Escherichia coli.
Biochemistry, 37, 1998
3LTB
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BU of 3ltb by Molmil
X-ray structure of a non-biological ATP binding protein determined in the presence of 10 mM ATP at 2.6 A after 3 weeks of incubation
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:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
5BYO
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BU of 5byo by Molmil
Computationally designed left-handed alpha/alpha toroid with 12 repeats
Descriptor: dTor_12x31L
Authors:Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2015-06-10
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
2N6B
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BU of 2n6b by Molmil
NMR structure of the de-novo toxin Hui1
Descriptor: Hui1
Authors:Mendelman, N, Zhao, R, Goldstein, S.A.N, Chill, J.H.
Deposit date:2015-08-17
Release date:2015-12-16
Last modified:2015-12-30
Method:SOLUTION NMR
Cite:Designer and natural peptide toxin blockers of the KcsA potassium channel identified by phage display.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DI5
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BU of 5di5 by Molmil
beta1 t801 loop variant in P3221
Descriptor: beta1 t801 loop variant
Authors:MacDonald, J.T, Kabasakal, B.V, Murray, J.W.
Deposit date:2015-08-31
Release date:2016-08-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KUX
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BU of 5kux by Molmil
Designed influenza hemagglutinin binding protein HSB.2
Descriptor: Designed influenza inhibitor protein HSB.2
Authors:Lee, P.S, Bernard, S.M, Wilson, I.A.
Deposit date:2016-07-13
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017

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