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6Z35
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BU of 6z35 by Molmil
De-novo Maquette 2 protein with buried ion-pair
Descriptor: Maquette 2-1ip
Authors:Baumgart, M, Roepke, M, Muehlbauer, M, Asami, S, Mader, S, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I.
Deposit date:2020-05-19
Release date:2021-04-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Design of buried charged networks in artificial proteins.
Nat Commun, 12, 2021
6Z0C
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BU of 6z0c by Molmil
Structure of in silico modelled artificial Maquette-3 protein
Descriptor: Maquette-3, POTASSIUM ION
Authors:Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I.
Deposit date:2020-05-08
Release date:2021-03-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of buried charged networks in artificial proteins
Nat Commun, 12, 2021
2Z3U
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BU of 2z3u by Molmil
Crystal Structure of Chromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1)
Descriptor: 1,2-ETHANEDIOL, 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID, Cytochrome P450, ...
Authors:Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S.
Deposit date:2007-06-06
Release date:2007-07-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton
Proc.Natl.Acad.Sci.Usa, 104, 2007
3A1L
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BU of 3a1l by Molmil
Crystal Structure of 11,11'-Dichlorochromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1)
Descriptor: 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S.
Deposit date:2009-04-09
Release date:2009-05-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Theoretical and experimental studies of the conversion of chromopyrrolic acid to an antitumor derivative by cytochrome P450 StaP: the catalytic role of water molecules
J.Am.Chem.Soc., 131, 2009
2Z3T
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BU of 2z3t by Molmil
Crystal Structure of Substrate Free Cytochrome P450 StaP (CYP245A1)
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, IMIDAZOLE, ...
Authors:Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S.
Deposit date:2007-06-06
Release date:2007-07-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton
Proc.Natl.Acad.Sci.Usa, 104, 2007
4F9F
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BU of 4f9f by Molmil
Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP and Trehalose
Descriptor: GUANOSINE-5'-DIPHOSPHATE, VldE, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Almabruk, K.H, Mahmud, T, Lee, Y.-H.
Deposit date:2012-05-18
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.807 Å)
Cite:Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex.
Plos One, 7, 2012
4F97
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BU of 4f97 by Molmil
Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP and validoxylamine A 7'-phosphate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Almabruk, K.H, Mahmud, T, Lee, Y.-H.
Deposit date:2012-05-18
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex.
Plos One, 7, 2012
4F96
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BU of 4f96 by Molmil
Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, VldE
Authors:Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Almabruk, K.H, Mahmud, T, Lee, Y.-H.
Deposit date:2012-05-18
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex.
Plos One, 7, 2012
3VDN
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BU of 3vdn by Molmil
Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, VldE
Authors:Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Mahmud, T, Lee, Y.-H.
Deposit date:2012-01-05
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of the VldE, the pseudo-glycosyltransferase, which catalyzes non-glycosidic C-N coupling in Validamycin A biosynthesis
To be Published
3VDM
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BU of 3vdm by Molmil
Crystal Structure of VldE, the pseudo-glycosyltransferase which catalyzes non-glycosidic C-N coupling in Validamycin A biosynthesis
Descriptor: VldE
Authors:Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Mahmud, T, Lee, Y.-H.
Deposit date:2012-01-05
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of VldE, the pseudo-glycosyltransferase which catalyzes non-glycosidic C-N coupling in Validamycin A biosynthesis
To be Published
6T1R
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BU of 6t1r by Molmil
Pseudo-atomic model of a 16-mer assembly of reduced recombinant human alphaA-crystallin (non domain swapped configuration)
Descriptor: Alpha-crystallin A chain
Authors:Peters, C, Kaiser, C.J.O, Weinkauf, S, Zacharias, M, Buchner, J.
Deposit date:2019-10-05
Release date:2019-12-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:The structure and oxidation of the eye lens chaperone alpha A-crystallin.
Nat.Struct.Mol.Biol., 26, 2019
5ISN
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BU of 5isn by Molmil
NMR solution structure of macro domain from Venezuelan equine encephalitis virus
Descriptor: Non-structural polyprotein
Authors:Makrynitsa, G.I, Ntonti, D, Marousis, K.D, Tsika, A.C, Papageorgiou, N, Coutard, B, Bentrop, D, Spyroulias, G.A.
Deposit date:2016-03-15
Release date:2017-11-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose.
J.Struct.Biol., 206, 2019
5MQX
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BU of 5mqx by Molmil
NMR solution structure of macro domain from Venezuelan equine encephalitis virus(VEEV) in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein3
Authors:Makrynitsa, G.I, Ntonti, D, Marousis, K.D, Matsoukas, M.T, Papageorgiou, N, Coutard, B, Bentrop, D, Spyroulias, G.A.
Deposit date:2016-12-21
Release date:2018-07-04
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose.
J.Struct.Biol., 206, 2019
6GD3
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BU of 6gd3 by Molmil
Structure of HuR RRM3 in complex with RNA (UAUUUA)
Descriptor: ELAV-like protein 1, RNA (5'-R(P*UP*AP*UP*UP*UP*A)-3'), SODIUM ION
Authors:Pabis, M, Sattler, M.
Deposit date:2018-04-21
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs.
Nucleic Acids Res., 47, 2019
6G2K
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BU of 6g2k by Molmil
Structure of HuR RRM3 in complex with RNA (UUUUUU)
Descriptor: ELAV-like protein 1, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3'), SULFATE ION
Authors:Pabis, M, Sattler, M.
Deposit date:2018-03-23
Release date:2018-10-31
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs.
Nucleic Acids Res., 47, 2019
6GD1
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BU of 6gd1 by Molmil
Structure of HuR RRM3
Descriptor: SODIUM ION, Thioredoxin 1,ELAV-like protein 1
Authors:Pabis, M, Sattler, M.
Deposit date:2018-04-21
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs.
Nucleic Acids Res., 47, 2019
6GD2
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BU of 6gd2 by Molmil
Structure of HuR RRM3 in complex with RNA
Descriptor: ELAV-like protein 1, RNA (5'-R(P*UP*UP*UP*AP*UP*UP*U)-3')
Authors:Pabis, M, Sattler, M.
Deposit date:2018-04-21
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs.
Nucleic Acids Res., 47, 2019
3UFZ
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BU of 3ufz by Molmil
Crystal structure of a Trp-less green fluorescent protein translated by the universal genetic code
Descriptor: Green fluorescent protein
Authors:Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D.
Deposit date:2011-11-02
Release date:2012-10-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Simplification of the genetic code: restricted diversity of genetically encoded amino acids.
Nucleic Acids Res., 40, 2012
3UG0
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BU of 3ug0 by Molmil
Crystal structure of a Trp-less green fluorescent protein translated by the simplified genetic code
Descriptor: Green fluorescent protein
Authors:Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D.
Deposit date:2011-11-02
Release date:2012-10-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Simplification of the genetic code: restricted diversity of genetically encoded amino acids.
Nucleic Acids Res., 40, 2012
7TFF
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BU of 7tff by Molmil
Crystal structure of human platelet phosphofructokinase-1 mutant- D564N
Descriptor: ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION, ...
Authors:Hansen, H, Webb, B.A, Robart, A.R, Narayanasami, S.
Deposit date:2022-01-06
Release date:2023-07-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Cancer-associated somatic mutations in human phosphofructokinase-1 reveal a critical electrostatic interaction for allosteric regulation of enzyme activity.
Biochem.J., 480, 2023
2ZF4
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BU of 2zf4 by Molmil
Crystal Structure of VioE complexed with phenylpyruvic acid
Descriptor: 3-PHENYLPYRUVIC ACID, Hypothetical protein VioE
Authors:Hirano, S, Shiro, Y, Nagano, S.
Deposit date:2007-12-20
Release date:2008-01-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of VioE, a key player in the construction of the molecular skeleton of violacein
To be Published
2ZF3
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BU of 2zf3 by Molmil
Crystal Structure of VioE
Descriptor: Hypothetical protein VioE
Authors:Hirano, S, Shiro, Y, Nagano, S.
Deposit date:2007-12-20
Release date:2008-01-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of VioE, a key player in the construction of the molecular skeleton of violacein
To be Published
5TPR
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BU of 5tpr by Molmil
Desmethyl-4-deoxygadusol synthase from Anabaena variabilis (Ava_3858) with NAD+ and Zn2+ bound
Descriptor: 3-dehydroquinate synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2016-10-21
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution and Distribution of C7-Cyclitol Synthases in Prokaryotes and Eukaryotes.
ACS Chem. Biol., 12, 2017
4P53
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BU of 4p53 by Molmil
ValA (2-epi-5-epi-valiolone synthase) from Streptomyces hygroscopicus subsp. jinggangensis 5008 with NAD+ and Zn2+ bound
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Cyclase, DI(HYDROXYETHYL)ETHER, ...
Authors:Kean, K.M, Codding, S.J, Karplus, P.A.
Deposit date:2014-03-13
Release date:2014-07-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a sedoheptulose 7-phosphate cyclase: ValA from Streptomyces hygroscopicus.
Biochemistry, 53, 2014

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