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5DRA
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BU of 5dra by Molmil
t3284 loop variant of beta1
Descriptor: 3beta1
Authors:Kabasakal, B.V, MacDonald, J.T, Murray, W.W.
Deposit date:2015-09-15
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: t1428 beta1 loop design
Authors:MacDonald, J.T, Kabasakal, B.V, Murray, J.W.
Deposit date:2015-09-10
Release date:2016-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.561 Å)
Cite: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
Descriptor: 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, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2016-07-13
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.598 Å)
Cite: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
Descriptor: HALC1_878
Authors:Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D.
Deposit date:2022-05-23
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: bhp_HWLV, disulfide cyclized beta-hairpin peptide
Authors:Russel, S.J, Blandl, T, Skelton, N.J, Cochran, A.G.
Deposit date:2002-10-11
Release date:2003-10-21
Last modified:2022-02-23
Method:SOLUTION NMR
Cite: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
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA-directed RNA polymerase
Authors: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.
Deposit date:2010-06-25
Release date:2010-08-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: RNA-directed RNA polymerase, SULFATE ION
Authors: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.
Deposit date:2010-06-25
Release date:2010-08-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Goovaerts, Q, Shen, J, Patel, S.S, Das, K.
Deposit date:2023-08-10
Release date:2023-08-30
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite: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
Descriptor: Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Wolan, D.W, Cheong, C.G, Greasley, S.E, Wilson, I.A.
Deposit date:2003-06-06
Release date:2004-02-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: L13G-DF1, MANGANESE (II) ION
Authors:Di Costanzo, L, Geremia, S.
Deposit date:2002-05-20
Release date:2003-05-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (GDP-4-KETO-6-DEOXY-D-MANNOSE EPIMERASE/REDUCTASE)
Authors:Rizzi, M, Tonetti, M, Flora, A.D, Bolognesi, M.
Deposit date:1998-09-25
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Hong, C, Huang, R, Yu, Z, Steitz, T.A.
Deposit date:2017-10-02
Release date:2017-11-15
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: 2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ...
Authors:Baumgartner, R, Walloschek, M, Karlik, M, Gotschlich, A, Tasler, S, Mies, J, Leban, J.
Deposit date:2005-07-27
Release date:2006-08-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-30
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
Descriptor: 5-DEAZAFOLIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, PHOSPHORIBOSYL-GLYCINAMIDE FORMYLTRANSFERASE
Authors:Almassy, R.J, Janson, C.A, Kan, C.-C, Hostomska, Z.
Deposit date:1992-05-15
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-23
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite: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
Descriptor: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite: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
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite: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
Descriptor: CAD protein, FORMIC ACID, N-CARBAMOYL-L-ASPARTATE, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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
Descriptor: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.28 Å)
Cite: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
Descriptor: CAD protein, FORMIC ACID, N-CARBAMOYL-L-ASPARTATE, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite: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
Descriptor: CAD protein, FORMIC ACID, ZINC ION
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite: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
Descriptor: CAD protein, FORMIC ACID, GLYCEROL, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023

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数据于2024-07-17公开中

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