7VQV
 
 | | de novo design based on 1r26 | | Descriptor: | GLYCEROL, de novo designed protein | | Authors: | Zhang, L. | | Deposit date: | 2021-10-20 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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1EC5
 | | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL | | Descriptor: | PROTEIN (FOUR-HELIX BUNDLE MODEL), ZINC ION | | Authors: | Geremia, S. | | Deposit date: | 2000-01-25 | | Release date: | 2000-07-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inaugural article: retrostructural analysis of metalloproteins: application to the design of a minimal model for diiron proteins.
Proc.Natl.Acad.Sci.USA, 97, 2000
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6U1S
 | | Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R. | | Descriptor: | de novo designed 16-helix transmembrane nanopore, TMHC8_R | | Authors: | Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J. | | Deposit date: | 2019-08-16 | | Release date: | 2020-08-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Computational Design of Transmembrane Channels
To Be Published
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1D7A
 | | CRYSTAL STRUCTURE OF E. COLI PURE-MONONUCLEOTIDE COMPLEX. | | Descriptor: | 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE | | Authors: | Mathews, I.I, Kappock, T.J, Stubbe, J, Ealick, S.E. | | Deposit date: | 1999-10-16 | | Release date: | 1999-12-03 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway.
Structure Fold.Des., 7, 1999
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1NVO
 | | Solution structure of a four-helix bundle model, apo-DF1 | | Descriptor: | Homodimeric Alpha2 Four-Helix Bundle | | Authors: | Maglio, O, Nastri, F, Pavone, V, Lombardi, A, DeGrado, W.F. | | Deposit date: | 2003-02-04 | | Release date: | 2003-03-25 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Preorganization of molecular binding sites in designed diiron proteins
Proc.Natl.Acad.Sci.USA, 100, 2003
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8WAV
 | | De novo transcribing complex 12 (TC12), the early elongation complex with Pol II positioned 12nt downstream of TSS | | Descriptor: | Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y. | | Deposit date: | 2023-09-08 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Structural visualization of transcription initiation in action.
Science, 382, 2023
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8WAZ
 | | De novo transcribing complex 16 (TC16), the early elongation complex with Pol II positioned 16nt downstream of TSS | | Descriptor: | Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y. | | Deposit date: | 2023-09-08 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural visualization of transcription initiation in action.
Science, 382, 2023
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8WAX
 | | De novo transcribing complex 14 (TC14), the early elongation complex with Pol II positioned 14nt downstream of TSS | | Descriptor: | Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y. | | Deposit date: | 2023-09-08 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Structural visualization of transcription initiation in action.
Science, 382, 2023
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8WAY
 | | De novo transcribing complex 15 (TC15), the early elongation complex with Pol II positioned 15nt downstream of TSS | | Descriptor: | Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y. | | Deposit date: | 2023-09-08 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural visualization of transcription initiation in action.
Science, 382, 2023
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8WAW
 | | De novo transcribing complex 13 (TC13), the early elongation complex with Pol II positioned 13nt downstream of TSS | | Descriptor: | Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y. | | Deposit date: | 2023-09-08 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structural visualization of transcription initiation in action.
Science, 382, 2023
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8WAT
 | | De novo transcribing complex 10 (TC10), the early elongation complex with Pol II positioned 10nt downstream of TSS | | Descriptor: | Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y. | | Deposit date: | 2023-09-08 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Structural visualization of transcription initiation in action.
Science, 382, 2023
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8WB0
 | | De novo transcribing complex 17 (TC17), the early elongation complex with Pol II positioned 17nt downstream of TSS | | Descriptor: | Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y. | | Deposit date: | 2023-09-08 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structural visualization of transcription initiation in action.
Science, 382, 2023
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8WAU
 | | De novo transcribing complex 11 (TC11), the early elongation complex with Pol II positioned 11nt downstream of TSS | | Descriptor: | Alpha-amanitin, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Liu, W, Wang, Q, Wang, X, Ren, Y, Qu, X, Li, W, Xu, Y. | | Deposit date: | 2023-09-08 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Structural visualization of transcription initiation in action.
Science, 382, 2023
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7JG4
 | | Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor | | Descriptor: | 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, ... | | Authors: | Wong-Roushar, J, Dann III, C.E. | | Deposit date: | 2020-07-18 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.455 Å) | | Cite: | 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
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7JG3
 | | Human GAR transformylase in complex with GAR substrate and AGF103 inhibitor | | Descriptor: | 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, ... | | Authors: | Wong-Roushar, J, Dann III, C.E. | | Deposit date: | 2020-07-18 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | 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
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7JG0
 | | Human GAR transformylase in complex with GAR substrate and AGF102 inhibitor | | Descriptor: | 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 | | Authors: | Wong-Roushar, J, Dann III, C.E. | | Deposit date: | 2020-07-18 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | 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
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5VTE
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7OCM
 | | K1K1H6, a potent recombinant minimal hepatocyte growth factor/scatter factor mimic | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor alpha chain,Hepatocyte growth factor alpha chain | | Authors: | de Jonge, H, de Nola, G, Gherardi, E. | | Deposit date: | 2021-04-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Dimerization of kringle 1 domain from hepatocyte growth factor/scatter factor provides a potent MET receptor agonist.
Life Sci Alliance, 5, 2022
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7OCL
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1EP3
 | | CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B. DATA COLLECTED UNDER CRYOGENIC CONDITIONS. | | Descriptor: | DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Rowland, P, Norager, S, Jensen, K.F, Larsen, S. | | Deposit date: | 2000-03-27 | | Release date: | 2001-01-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster.
Structure Fold.Des., 8, 2000
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1EP2
 | | CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B COMPLEXED WITH OROTATE | | Descriptor: | DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Rowland, P, Norager, S, Jensen, K.F, Larsen, S. | | Deposit date: | 2000-03-27 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster.
Structure Fold.Des., 8, 2000
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1EP1
 | | CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B | | Descriptor: | DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Rowland, P, Norager, S, Jensen, K.F, Larsen, S. | | Deposit date: | 2000-03-27 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster.
Structure Fold.Des., 8, 2000
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2MI7
 | | Solution NMR structure of alpha3Y | | Descriptor: | de novo protein a3Y | | Authors: | Glover, S.D, Jorge, C, Liang, L, Valentine, K.G, Hammarstrom, L, Tommos, C. | | Deposit date: | 2013-12-10 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | 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
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3V86
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8D9O
 | | De Novo Photosynthetic Reaction Center Protein in Apo-State | | Descriptor: | CADMIUM ION, Reaction Center Maquette | | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | | Deposit date: | 2022-06-10 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Rational design of photosynthetic reaction center protein maquettes.
Front Mol Biosci, 9, 2022
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