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5NUX
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BU of 5nux by Molmil
Thermus scotoductus SA-01 Ene-reductase double mutant TsER_C25D_I67T
分子名称: Chromate reductase, FLAVIN MONONUCLEOTIDE
著者Opperman, D.J, Hoebenreich, S, Nett, N.
登録日2017-05-03
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A robust and stereocomplementary panel of ene-reductase variants for gram-scale asymmetric hydrogenation
Mol Catal, 502, 2021
5OGT
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BU of 5ogt by Molmil
Thermus scotoductus SA-01 Ene-reductase triple mutant TsER_C25D_I67T_A102H
分子名称: Chromate reductase, FLAVIN MONONUCLEOTIDE
著者Opperman, D.J, Hoebenreich, S, Nett, N.
登録日2017-07-13
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Thermus scotoductus SA-01 Ene-reductase triple mutant TsER_C25D_I67T_A102H
To Be Published
4D4L
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BU of 4d4l by Molmil
human PFKFB3 in complex with a pyrrolopyrimidone compound
分子名称: 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J.
登録日2014-10-29
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4D4K
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BU of 4d4k by Molmil
human PFKFB3 in complex with a pyrrolopyrimidone compound
分子名称: 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, 7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, ...
著者Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J.
登録日2014-10-29
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4D4M
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BU of 4d4m by Molmil
human PFKFB3 in complex with a pyrrolopyrimidone compound
分子名称: 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, ...
著者Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J.
登録日2014-10-29
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4D4J
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BU of 4d4j by Molmil
human PFKFB3 in complex with a pyrrolopyrimidone compound
分子名称: 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J.
登録日2014-10-29
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4FJV
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BU of 4fjv by Molmil
Crystal Structure of Human Otubain2 and Ubiquitin Complex
分子名称: ETHANAMINE, GLYCEROL, Polyubiquitin-C, ...
著者Altun, M, Walter, T.S, Kramer, H.B, Iphofer, A, David, Y, Komsany, A, Ternette, N, Nicholson, B, Navon, A, Stuart, D.I, Ren, J, Kessler, B.M.
登録日2012-06-12
公開日2013-06-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献The human otubain2-ubiquitin structure provides insights into the cleavage specificity of poly-ubiquitin-linkages.
Plos One, 10, 2015
5OG9
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BU of 5og9 by Molmil
The BM3 mutant WIFI-WC heme domain in complex with testosterone
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gamble, C, Munro, A.W, Leys, D.
登録日2017-07-12
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Regio- and diastereoselective hydroxylation of steroids using P450-BM3: Readdressing the numbers problem in directed evolution
To Be Published
7RDH
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BU of 7rdh by Molmil
Crystal structure of the de novo designed binding protein H3mb in complex with the 1968 influenza A virus hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, De novo designed protein H3mb, ...
著者Kadam, R.U, Wilson, I.A.
登録日2021-07-09
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
6E9R
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BU of 6e9r by Molmil
DHF46 filament
分子名称: DHF46 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
8CYK
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BU of 8cyk by Molmil
Crystal structure of hallucinated protein HALC1_878
分子名称: HALC1_878
著者Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D.
登録日2022-05-23
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Robust deep learning-based protein sequence design using ProteinMPNN.
Science, 378, 2022
7OPB
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BU of 7opb by Molmil
IL7R in complex with an antagonist
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IL7R binder, ...
著者Markovic, I, Verschueren, K.H.G, Verstraete, K, Savvides, S.N.
登録日2021-05-31
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
8DT0
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BU of 8dt0 by Molmil
Scaffolding protein functional sites using deep learning
分子名称: Scaffolding protein functional sites
著者Bera, A.K, Watson, J, Baker, D.
登録日2022-07-24
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffolding protein functional sites using deep learning.
Science, 377, 2022
7S5B
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BU of 7s5b by Molmil
Unbound State of a De novo designed Protein Binder to the Human Interleukin-7 Receptor
分子名称: Miniprotein Binder
著者Walsh, S.T.R, Cao, L, Baker, D.
登録日2021-09-10
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
4XKH
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BU of 4xkh by Molmil
CRYSTAL STRUCTURE OF THE AIRAPL TANDEM UIMS IN COMPLEX WITH A LYS48-LINKED TRI-UBIQUITIN
分子名称: AN1-type zinc finger protein 2B, Polyubiquitin-C
著者Rahighi, S, Kawasaki, M, Stanhill, A, Wakatsuki, S.
登録日2015-01-11
公開日2016-02-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Selective Binding of AIRAPL Tandem UIMs to Lys48-Linked Tri-Ubiquitin Chains.
Structure, 24, 2016
7N1J
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BU of 7n1j by Molmil
Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder
分子名称: Binder, Fibroblast growth factor receptor 4
著者Park, J.S, Lee, S.
登録日2021-05-27
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
7N1K
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BU of 7n1k by Molmil
Crystal structure of a de novo-designed mini-protein targeting FGFR
分子名称: Binder
著者Park, J.S, Lee, S.
登録日2021-05-27
公開日2022-04-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
7N3T
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BU of 7n3t by Molmil
TrkA ECD complex with designed miniprotein ligand
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jude, K.M, Cao, L, Garcia, K.C.
登録日2021-06-01
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
6D2B
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BU of 6d2b by Molmil
HLA-B*57:01 presenting LSDSTARDVTW
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ...
著者Vivian, J.P, Rossjohn, J.
登録日2018-04-13
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands.
Sci Immunol, 3, 2018
6D2R
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BU of 6d2r by Molmil
HLA-B*57:01 presenting GSFDYSGVHLW
分子名称: Beta-2-microglobulin, GLY-SER-PHE-ASP-TYR-SER-GLY-VAL-HIS-LEU-TRP, HLA class I histocompatibility antigen, ...
著者Vivian, J.P, Rossjohn, J.
登録日2018-04-13
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands.
Sci Immunol, 3, 2018
6BXQ
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BU of 6bxq by Molmil
Crystal Structure of HLA-B*57:01 with an HIV peptide RKV
分子名称: Beta-2-microglobulin, HIV peptide RKV, MHC class I antigen
著者Gras, S, Rossjohn, J.
登録日2017-12-18
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification of Native and Posttranslationally Modified HLA-B*57:01-Restricted HIV Envelope Derived Epitopes Using Immunoproteomics.
Proteomics, 18, 2018
6D2T
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BU of 6d2t by Molmil
HLA-B*57:01 presenting LALLTGVRW
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ...
著者Vivian, J.P, Rossjohn, J.
登録日2018-04-13
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands.
Sci Immunol, 3, 2018
6D29
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BU of 6d29 by Molmil
HLA-B*57:01 presenting TSMSFVPRPW
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ...
著者Vivian, J.P, Rossjohn, J.
登録日2018-04-13
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands.
Sci Immunol, 3, 2018
6BXP
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BU of 6bxp by Molmil
Crystal Structure of HLA-B*57:01 with a modified HIV peptide RKV-Kyn
分子名称: ACETATE ION, Beta-2-microglobulin, HIV peptide RKV-Kyn, ...
著者Gras, S, Rossjohn, J.
登録日2017-12-18
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Identification of Native and Posttranslationally Modified HLA-B*57:01-Restricted HIV Envelope Derived Epitopes Using Immunoproteomics.
Proteomics, 18, 2018
6E9Z
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BU of 6e9z by Molmil
DHF119 filament
分子名称: DHF119 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018

 

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