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2BWE
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BU of 2bwe by Molmil
The crystal structure of the complex between the UBA and UBL domains of Dsk2
分子名称: DSK2
著者Lowe, E.D, Hasan, N, Trempe, J.-F, Fonso, L, Noble, M.E.M, Endicott, J.A, Johnson, L.N, Brown, N.R.
登録日2005-07-13
公開日2006-01-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of the Dsk2 Ubl and Uba Domains and Their Complex.
Acta Crystallogr.,Sect.D, 62, 2006
8S8W
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BU of 8s8w by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA-RNA (Cap0-RNA)
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
登録日2024-03-07
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
6SA8
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BU of 6sa8 by Molmil
ring-like DARPin-Armadillo fusion H83_D01
分子名称: 1,2-ETHANEDIOL, LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG, ring-like DARPin-Armadillo fusion H83_D01
著者Ernst, P, Honegger, A, van der Valk, F, Ewald, C, Mittl, P.R.E, Plucktun, A.
登録日2019-07-16
公開日2019-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rigid fusions of designed helical repeat binding proteins efficiently protect a binding surface from crystal contacts.
Sci Rep, 9, 2019
4HRT
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BU of 4hrt by Molmil
Scapharca tetrameric hemoglobin, unliganded
分子名称: Globin-2 A chain, Hemoglobin B chain, PHOSPHATE ION, ...
著者Royer, W.E.
登録日2012-10-28
公開日2012-12-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis.
Biochemistry, 52, 2013
8S8X
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SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin and m7GpppA-RNA (Cap0-RNA)
分子名称: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ...
著者Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
登録日2024-03-07
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
1NBE
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BU of 1nbe by Molmil
ASPARTATE TRANSCARBAMOYLASE REGULATORY CHAIN MUTANT (T82A)
分子名称: ASPARTATE TRANSCARBAMOYLASE, D-MALATE, ZINC ION
著者Williams, M.K, Stec, B, Kantrowitz, E.R.
登録日1998-04-25
公開日1998-10-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A single mutation in the regulatory chain of Escherichia coli aspartate transcarbamoylase results in an extreme T-state structure.
J.Mol.Biol., 281, 1998
5KNZ
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BU of 5knz by Molmil
Human Islet Amyloid Polypeptide Segment 19-SGNNFGAILSS-29 with Early Onset S20G Mutation Determined by MicroED
分子名称: hIAPP(residues 19-29)S20G
著者Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S.
登録日2016-06-28
公開日2016-12-21
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.9 Å)
主引用文献Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
8SL9
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BU of 8sl9 by Molmil
Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73
分子名称: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine, ...
著者Shaw, G.X, Shi, G, Cherry, S, Needle, D, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2023-04-21
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73
To be published
1JXH
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BU of 1jxh by Molmil
4-Amino-5-hydroxymethyl-2-methylpyrimidine Phosphate Kinase from Salmonella typhimurium
分子名称: PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION
著者Cheng, G, Bennett, E.M, Begley, T.P, Ealick, S.E.
登録日2001-09-07
公開日2002-02-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of 4-amino-5-hydroxymethyl-2-methylpyrimidine phosphate kinase from Salmonella typhimurium at 2.3 A resolution.
Structure, 10, 2002
3ISN
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BU of 3isn by Molmil
Crystal structure of HIV-1 RT bound to A 6-vinylpyrimidine inhibitor
分子名称: 6-ethenyl-N,N-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine, Reverse transcriptase/ribonuclease H, p51 RT
著者Ennifar, E, Freisz, S, Bec, G, Dumas, P, Botta, M, Radi, M.
登録日2009-08-26
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of HIV-1 Reverse Transcriptase Bound to a Non-Nucleoside Inhibitor with a Novel Mechanism of Action
Angew.Chem.Int.Ed.Engl., 49, 2010
6M9F
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BU of 6m9f by Molmil
PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Tyrostatin
分子名称: CALCIUM ION, SEDOLISIN, SULFATE ION, ...
著者Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K.
登録日2018-08-23
公開日2018-10-24
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
6SAO
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BU of 6sao by Molmil
Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S.
登録日2019-07-17
公開日2019-10-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
Int J Mol Sci, 20, 2019
1NR5
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BU of 1nr5 by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+, NAD and carbaphosphonate
分子名称: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, COBALT (II) ION, ...
著者Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
登録日2003-01-23
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
6YDC
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BU of 6ydc by Molmil
X-ray structure of LPMO
分子名称: COPPER (II) ION, LPMO lytic polysaccharide monooxygenase, SULFATE ION, ...
著者Tandrup, T, Tryfona, T, Frandsen, K.E.H, Johansen, K.S, Dupree, P, Lo Leggio, L.
登録日2020-03-20
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Oligosaccharide Binding and Thermostability of Two Related AA9 Lytic Polysaccharide Monooxygenases.
Biochemistry, 59, 2020
1RTH
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BU of 1rth by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
分子名称: 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
登録日1995-05-03
公開日1996-04-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
7PXZ
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BU of 7pxz by Molmil
Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation
分子名称: 3C-like proteinase nsp5, CHLORIDE ION
著者Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J.
登録日2021-10-08
公開日2023-01-18
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
7PVP
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BU of 7pvp by Molmil
Crystal structure of the SAKe6BC designer protein
分子名称: SAKe6BC
著者Wouters, S.M.L, Noguchi, H, Velpula, G, Clarke, D.E, Voet, A.R.D, De Feyter, S.
登録日2021-10-05
公開日2023-01-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
6SH9
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BU of 6sh9 by Molmil
EngBF DARPin Fusion 4b D12
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-alpha-N-acetylgalactosaminidase,DARPin 4b D12, ...
著者Ernst, P, Pluckthun, A, Mittl, P.R.E.
登録日2019-08-06
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of biological targets by host:guest crystal lattice engineering.
Sci Rep, 9, 2019
6LR6
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The crystal structure of human cytoplasmic LRS
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ...
著者Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
登録日2020-01-15
公開日2020-03-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.009 Å)
主引用文献Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
1JS8
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BU of 1js8 by Molmil
Structure of a Functional Unit from Octopus Hemocyanin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CU2-O2 CLUSTER, Hemocyanin, ...
著者Cuff, M.E, Miller, K.I, van Holde, K.E, Hendrickson, W.A.
登録日2001-08-16
公開日2001-10-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a functional unit from Octopus hemocyanin.
J.Mol.Biol., 278, 1998
6S9Y
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BU of 6s9y by Molmil
Crystal structure of the N-terminal domain of the wild type parasitic PEX14
分子名称: DI(HYDROXYETHYL)ETHER, Peroxin 14
著者Hassaan, E, Heine, A, Klebe, G.
登録日2019-07-15
公開日2020-08-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystallographic Fragment Screening of the parasitic PEX14
To Be Published
6SA6
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BU of 6sa6 by Molmil
DARPin-Armadillo fusion A5
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DARPin-Armadillo fusion A5
著者Ernst, P, Honegger, A, van der Valk, F, Ewald, C, Mittl, P.R.E, Pluckthun, A.
登録日2019-07-16
公開日2019-11-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rigid fusions of designed helical repeat binding proteins efficiently protect a binding surface from crystal contacts.
Sci Rep, 9, 2019
4I2Y
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BU of 4i2y by Molmil
Crystal Structure of the genetically encoded calcium indicator RGECO1
分子名称: CALCIUM ION, RGECO1
著者Akerboom, J, Looger, L.L, Schreiter, E.R.
登録日2012-11-23
公開日2013-07-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics.
Front Mol Neurosci, 6, 2013
7Q58
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BU of 7q58 by Molmil
Crystal structure of the SAKe6BR designer protein
分子名称: SAKe6BR
著者Wouters, S.M.L, Noguchi, H, Velupla, G, Clarke, D.E, Voet, A.R.D, De Feyter, S.
登録日2021-11-03
公開日2023-02-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
1F3X
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S402P MUTANT OF RABBIT MUSCLE PYRUVATE KINASE
分子名称: MANGANESE (II) ION, POTASSIUM ION, PYRUVATE KINASE, ...
著者Wooll, J.O, Friesen, R.H.E, White, M.A, Watowich, S.J, Fox, R.O, Lee, J.C, Czerwinski, E.W.
登録日2000-06-06
公開日2001-10-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional linkages between subunit interfaces in mammalian pyruvate kinase.
J.Mol.Biol., 312, 2001

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