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7VQV
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BU of 7vqv by Molmil
de novo design based on 1r26
分子名称: GLYCEROL, de novo designed protein
著者Zhang, L.
登録日2021-10-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
1EC5
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BU of 1ec5 by Molmil
CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL
分子名称: PROTEIN (FOUR-HELIX BUNDLE MODEL), ZINC ION
著者Geremia, S.
登録日2000-01-25
公開日2000-07-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inaugural article: retrostructural analysis of metalloproteins: application to the design of a minimal model for diiron proteins.
Proc.Natl.Acad.Sci.USA, 97, 2000
6U1S
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BU of 6u1s by Molmil
Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R.
分子名称: de novo designed 16-helix transmembrane nanopore, TMHC8_R
著者Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J.
登録日2019-08-16
公開日2020-08-19
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Computational Design of Transmembrane Channels
To Be Published
1D7A
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BU of 1d7a by Molmil
CRYSTAL STRUCTURE OF E. COLI PURE-MONONUCLEOTIDE COMPLEX.
分子名称: 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE
著者Mathews, I.I, Kappock, T.J, Stubbe, J, Ealick, S.E.
登録日1999-10-16
公開日1999-12-03
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway.
Structure Fold.Des., 7, 1999
1NVO
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BU of 1nvo by Molmil
Solution structure of a four-helix bundle model, apo-DF1
分子名称: Homodimeric Alpha2 Four-Helix Bundle
著者Maglio, O, Nastri, F, Pavone, V, Lombardi, A, DeGrado, W.F.
登録日2003-02-04
公開日2003-03-25
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Preorganization of molecular binding sites in designed diiron proteins
Proc.Natl.Acad.Sci.USA, 100, 2003
8WAV
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BU of 8wav by Molmil
De novo transcribing complex 12 (TC12), the early elongation complex with Pol II positioned 12nt downstream of TSS
分子名称: Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y.
登録日2023-09-08
公開日2023-12-06
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Structural visualization of transcription initiation in action.
Science, 382, 2023
8WAZ
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BU of 8waz by Molmil
De novo transcribing complex 16 (TC16), the early elongation complex with Pol II positioned 16nt downstream of TSS
分子名称: Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y.
登録日2023-09-08
公開日2023-12-06
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structural visualization of transcription initiation in action.
Science, 382, 2023
8WAX
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BU of 8wax by Molmil
De novo transcribing complex 14 (TC14), the early elongation complex with Pol II positioned 14nt downstream of TSS
分子名称: Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y.
登録日2023-09-08
公開日2023-12-06
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Structural visualization of transcription initiation in action.
Science, 382, 2023
8WAY
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BU of 8way by Molmil
De novo transcribing complex 15 (TC15), the early elongation complex with Pol II positioned 15nt downstream of TSS
分子名称: Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y.
登録日2023-09-08
公開日2023-12-06
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural visualization of transcription initiation in action.
Science, 382, 2023
8WAW
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BU of 8waw by Molmil
De novo transcribing complex 13 (TC13), the early elongation complex with Pol II positioned 13nt downstream of TSS
分子名称: Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y.
登録日2023-09-08
公開日2023-12-06
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structural visualization of transcription initiation in action.
Science, 382, 2023
8WAT
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BU of 8wat by Molmil
De novo transcribing complex 10 (TC10), the early elongation complex with Pol II positioned 10nt downstream of TSS
分子名称: Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y.
登録日2023-09-08
公開日2023-12-06
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Structural visualization of transcription initiation in action.
Science, 382, 2023
8WB0
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BU of 8wb0 by Molmil
De novo transcribing complex 17 (TC17), the early elongation complex with Pol II positioned 17nt downstream of TSS
分子名称: Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y.
登録日2023-09-08
公開日2023-12-06
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structural visualization of transcription initiation in action.
Science, 382, 2023
8WAU
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BU of 8wau by Molmil
De novo transcribing complex 11 (TC11), the early elongation complex with Pol II positioned 11nt downstream of TSS
分子名称: Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y.
登録日2023-09-08
公開日2023-12-06
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Structural visualization of transcription initiation in action.
Science, 382, 2023
7JG4
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BU of 7jg4 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid, SODIUM ION, ...
著者Wong-Roushar, J, Dann III, C.E.
登録日2020-07-18
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
7JG3
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BU of 7jg3 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF103 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid, SODIUM ION, ...
著者Wong-Roushar, J, Dann III, C.E.
登録日2020-07-18
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
7JG0
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BU of 7jg0 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF102 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Wong-Roushar, J, Dann III, C.E.
登録日2020-07-18
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
5VTE
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BU of 5vte by Molmil
Hetero antiparallel coiled coil hexamer formed by de novo peptides
分子名称: de novo peptide 1, de novo peptide 2
著者Spencer, R.K, Hochbaum, A.I.
登録日2017-05-16
公開日2017-10-04
最終更新日2022-12-14
実験手法X-RAY DIFFRACTION (2.023 Å)
主引用文献The Phe-Ile Zipper: A Specific Interaction Motif Drives Antiparallel Coiled-Coil Hexamer Formation.
Biochemistry, 56, 2017
7OCM
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BU of 7ocm by Molmil
K1K1H6, a potent recombinant minimal hepatocyte growth factor/scatter factor mimic
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor alpha chain,Hepatocyte growth factor alpha chain
著者de Jonge, H, de Nola, G, Gherardi, E.
登録日2021-04-27
公開日2021-07-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dimerization of kringle 1 domain from hepatocyte growth factor/scatter factor provides a potent MET receptor agonist.
Life Sci Alliance, 5, 2022
7OCL
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BU of 7ocl by Molmil
K1K1, a potent recombinant minimal hepatocyte growth factor/scatter factor mimic
分子名称: Hepatocyte growth factor alpha chain,Hepatocyte growth factor alpha chain
著者de Jonge, H, de Nola, G, Gherardi, E.
登録日2021-04-27
公開日2021-07-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dimerization of kringle 1 domain from hepatocyte growth factor/scatter factor provides a potent MET receptor agonist.
Life Sci Alliance, 5, 2022
1EP3
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BU of 1ep3 by Molmil
CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B. DATA COLLECTED UNDER CRYOGENIC CONDITIONS.
分子名称: DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ...
著者Rowland, P, Norager, S, Jensen, K.F, Larsen, S.
登録日2000-03-27
公開日2001-01-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster.
Structure Fold.Des., 8, 2000
1EP2
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BU of 1ep2 by Molmil
CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B COMPLEXED WITH OROTATE
分子名称: DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ...
著者Rowland, P, Norager, S, Jensen, K.F, Larsen, S.
登録日2000-03-27
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster.
Structure Fold.Des., 8, 2000
1EP1
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BU of 1ep1 by Molmil
CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B
分子名称: DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ...
著者Rowland, P, Norager, S, Jensen, K.F, Larsen, S.
登録日2000-03-27
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster.
Structure Fold.Des., 8, 2000
2MI7
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BU of 2mi7 by Molmil
Solution NMR structure of alpha3Y
分子名称: de novo protein a3Y
著者Glover, S.D, Jorge, C, Liang, L, Valentine, K.G, Hammarstrom, L, Tommos, C.
登録日2013-12-10
公開日2014-08-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Photochemical tyrosine oxidation in the structurally well-defined alpha 3Y protein: proton-coupled electron transfer and a long-lived tyrosine radical.
J.Am.Chem.Soc., 136, 2014
3V86
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BU of 3v86 by Molmil
Computational Design of a Protein Crystal
分子名称: De novo design helix
著者Acharya, R, North, B, Saven, J, DeGrado, W.
登録日2011-12-22
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Computational design of a protein crystal.
Proc.Natl.Acad.Sci.USA, 109, 2012
8D9O
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BU of 8d9o by Molmil
De Novo Photosynthetic Reaction Center Protein in Apo-State
分子名称: CADMIUM ION, Reaction Center Maquette
著者Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C.
登録日2022-06-10
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Rational design of photosynthetic reaction center protein maquettes.
Front Mol Biosci, 9, 2022

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