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5DRA
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BU of 5dra by Molmil
t3284 loop variant of beta1
分子名称: 3beta1
著者Kabasakal, B.V, MacDonald, J.T, Murray, W.W.
登録日2015-09-15
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DNS
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BU of 5dns by Molmil
t1428 loop variant in P3221
分子名称: t1428 beta1 loop design
著者MacDonald, J.T, Kabasakal, B.V, Murray, J.W.
登録日2015-09-10
公開日2016-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.561 Å)
主引用文献Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KUY
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BU of 5kuy by Molmil
Influenza hemagglutinin H3 A/Hong Kong/1/1968 in complex with designed inhibitor protein HSB.2A
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, Designed influenza inhibitor HSB.2A, ...
著者Bernard, S.M, Wilson, I.A.
登録日2016-07-13
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
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
1N0C
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BU of 1n0c by Molmil
Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair
分子名称: bhp_HWLV, disulfide cyclized beta-hairpin peptide
著者Russel, S.J, Blandl, T, Skelton, N.J, Cochran, A.G.
登録日2002-10-11
公開日2003-10-21
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair
J.AM.CHEM.SOC., 125, 2003
2XI3
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BU of 2xi3 by Molmil
HCV-H77 NS5B Polymerase Complexed With GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA-directed RNA polymerase
著者Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S.
登録日2010-06-25
公開日2010-08-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis
J.Biol.Chem., 285, 2010
2XI2
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BU of 2xi2 by Molmil
HCV-H77 NS5B Apo Polymerase
分子名称: RNA-directed RNA polymerase, SULFATE ION
著者Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S.
登録日2010-06-25
公開日2010-08-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis
J.Biol.Chem., 285, 2010
8Q63
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BU of 8q63 by Molmil
Cryo-EM structure of IC8', a second state of yeast mitochondrial RNA polymerase transcription initiation complex with 8-mer RNA, pppGpGpUpApApApUpG
分子名称: DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Goovaerts, Q, Shen, J, Patel, S.S, Das, K.
登録日2023-08-10
公開日2023-08-30
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
1PKX
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BU of 1pkx by Molmil
Crystal Structure of human ATIC in complex with XMP
分子名称: Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, XANTHOSINE-5'-MONOPHOSPHATE
著者Wolan, D.W, Cheong, C.G, Greasley, S.E, Wilson, I.A.
登録日2003-06-06
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Human and Avian IMP Cyclohydrolase Mechanism via Crystal Structures with the Bound XMP Inhibitor.
Biochemistry, 43, 2004
1LT1
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BU of 1lt1 by Molmil
SLIDING HELIX INDUCED CHANGE OF COORDINATION GEOMETRY IN A MODEL DI-MN(II) PROTEIN
分子名称: L13G-DF1, MANGANESE (II) ION
著者Di Costanzo, L, Geremia, S.
登録日2002-05-20
公開日2003-05-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Sliding helix and change of coordination geometry in a model di-MnII protein
Angew.Chem.Int.Ed.Engl., 42, 2003
1BWS
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BU of 1bws by Molmil
CRYSTAL STRUCTURE OF GDP-4-KETO-6-DEOXY-D-MANNOSE EPIMERASE/REDUCTASE FROM ESCHERICHIA COLI A KEY ENZYME IN THE BIOSYNTHESIS OF GDP-L-FUCOSE
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (GDP-4-KETO-6-DEOXY-D-MANNOSE EPIMERASE/REDUCTASE)
著者Rizzi, M, Tonetti, M, Flora, A.D, Bolognesi, M.
登録日1998-09-25
公開日1999-01-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献GDP-4-keto-6-deoxy-D-mannose epimerase/reductase from Escherichia coli, a key enzyme in the biosynthesis of GDP-L-fucose, displays the structural characteristics of the RED protein homology superfamily.
Structure, 6, 1998
6B6H
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BU of 6b6h by Molmil
The cryo-EM structure of a bacterial class I transcription activation complex
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Liu, B, Hong, C, Huang, R, Yu, Z, Steitz, T.A.
登録日2017-10-02
公開日2017-11-15
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of bacterial transcription activation.
Science, 358, 2017
2BXV
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BU of 2bxv by Molmil
Dual binding mode of a novel series of DHODH inhibitors
分子名称: 2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ...
著者Baumgartner, R, Walloschek, M, Karlik, M, Gotschlich, A, Tasler, S, Mies, J, Leban, J.
登録日2005-07-27
公開日2006-08-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Dual binding mode of a novel series of DHODH inhibitors.
J. Med. Chem., 49, 2006
6CAI
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BU of 6cai by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 24 round 7
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kemp Eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2018-01-30
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
1CDE
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BU of 1cde by Molmil
STRUCTURES OF APO AND COMPLEXED ESCHERICHIA COLI GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
分子名称: 5-DEAZAFOLIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, PHOSPHORIBOSYL-GLYCINAMIDE FORMYLTRANSFERASE
著者Almassy, R.J, Janson, C.A, Kan, C.-C, Hostomska, Z.
登録日1992-05-15
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of apo and complexed Escherichia coli glycinamide ribonucleotide transformylase.
Proc.Natl.Acad.Sci.USA, 89, 1992
6C7T
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BU of 6c7t by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 20 round 5
分子名称: Kemp Eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2018-01-23
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
8PBG
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BU of 8pbg by Molmil
Mutant K1556T of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate
分子名称: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBP
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BU of 8pbp by Molmil
Mutant R1785C of the dihydroorotase domain of human CAD protein bound to the substrate carbamoyl aspartate
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBE
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BU of 8pbe by Molmil
Mutant K1556T of the dihydroorotase domain of human CAD protein bound to the substrate carbamoyl aspartate
分子名称: CAD protein, FORMIC ACID, N-CARBAMOYL-L-ASPARTATE, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBI
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BU of 8pbi by Molmil
Mutant R1617Q of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate
分子名称: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBM
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BU of 8pbm by Molmil
Mutant R1789Q of the dihydroorotase domain of human CAD protein bound to the substrate dihydroorotate
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBQ
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BU of 8pbq by Molmil
Mutant R1810Q of the dihydroorotase domain of human CAD protein bound to the substrates
分子名称: CAD protein, FORMIC ACID, N-CARBAMOYL-L-ASPARTATE, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBR
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BU of 8pbr by Molmil
Mutant R1475Q of the dihydroorotase domain of human CAD protein in apo form
分子名称: CAD protein, FORMIC ACID, ZINC ION
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBJ
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BU of 8pbj by Molmil
Mutant R1722W of the dihydroorotase domain of human CAD protein bound to the substrate carbamoyl aspartate
分子名称: CAD protein, FORMIC ACID, GLYCEROL, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBN
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BU of 8pbn by Molmil
Mutant R1789Q of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate
分子名称: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023

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