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7CWB
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Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 1.9 A Resolution (C121)
分子名称: 3C-like proteinase
著者DeMirci, H.
登録日2020-08-27
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure, 29, 2021
7CWC
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Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 2.1 A Resolution (P212121)
分子名称: 3C-like proteinase
著者DeMirci, H.
登録日2020-08-27
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure, 29, 2021
6C3G
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BU of 6c3g by Molmil
AMYLOID FORMING PEPTIDE KALGIS FROM TRANSTHYRETIN
分子名称: GLYCEROL, LYS-ALA-LEU-GLY-ILE-SER, SULFATE ION
著者Saelices, L, Sawaya, M.R, Eisenberg, D.S.
登録日2018-01-09
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
1RHG
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BU of 1rhg by Molmil
THE STRUCTURE OF GRANULOCYTE-COLONY-STIMULATING FACTOR AND ITS RELATIONSHIP TO THOSE OF OTHER GROWTH FACTORS
分子名称: GRANULOCYTE COLONY-STIMULATING FACTOR
著者Hill, C.P, Osslund, T.D, Eisenberg, D.
登録日1993-01-29
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of granulocyte-colony-stimulating factor and its relationship to other growth factors.
Proc.Natl.Acad.Sci.USA, 90, 1993
7UNL
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Human TMEM175 in an open state
分子名称: Endosomal/lysosomal potassium channel TMEM175, POTASSIUM ION
著者Oh, S, Hite, R.K.
登録日2022-04-11
公開日2022-06-01
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Differential ion dehydration energetics explains selectivity in the non-canonical lysosomal K + channel TMEM175.
Elife, 11, 2022
7TZJ
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SARS CoV-2 PLpro in complex with inhibitor 3k
分子名称: DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ...
著者Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D.
登録日2022-02-15
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
6RT0
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BU of 6rt0 by Molmil
cryo-em structure of alpha-synuclein fibril polymorph 2A
分子名称: Alpha-synuclein
著者Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H.
登録日2019-05-22
公開日2019-06-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
7TVH
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Hyperlytic variant of Tae1, Type VI secretion amidase effector 1, from Pseudomonas aeruginosa (Cys110Ser)
分子名称: Peptidoglycan amidase Tse1
著者Radkov, A, Saunders, H, Chou, S.
登録日2022-02-04
公開日2022-07-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Antibacterial potency of type VI amidase effector toxins is dependent on substrate topology and cellular context.
Elife, 11, 2022
6DHY
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Crystallogrpahic tetramer of Zn-bound RIDC1 variant bearing two disulfide bonded cysteines
分子名称: CALCIUM ION, HEME C, Soluble cytochrome b562, ...
著者Tezcan, F.A, Churchfield, L.A.
登録日2018-05-21
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Determining the Structural and Energetic Basis of Allostery in a De Novo Designed Metalloprotein Assembly.
J. Am. Chem. Soc., 140, 2018
7AB7
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BU of 7ab7 by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) I52T Q148K variant
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ...
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
登録日2020-09-06
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
7AB6
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BU of 7ab6 by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) I52T variant
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ...
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
登録日2020-09-06
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
7ABY
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BU of 7aby by Molmil
Crystal structure of iLOV-Q489K mutant
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, Phototropin-2
著者Granzin, J, Batra-Safferling, R.
登録日2020-09-09
公開日2021-04-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
6DHZ
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BU of 6dhz by Molmil
Crystallographic octamer of a metal-free RIDC1 variant bearing two disulfide bonded cysteines
分子名称: CALCIUM ION, HEME C, Soluble cytochrome b562
著者Tezcan, F.A, Churchfield, L.A.
登録日2018-05-21
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Determining the Structural and Energetic Basis of Allostery in a De Novo Designed Metalloprotein Assembly.
J. Am. Chem. Soc., 140, 2018
3N07
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BU of 3n07 by Molmil
Structure of putative 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Vibrio cholerae
分子名称: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, MAGNESIUM ION
著者Liu, W, Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-05-13
公開日2010-08-04
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural basis for the divergence of substrate specificity and biological function within HAD phosphatases in lipopolysaccharide and sialic acid biosynthesis.
Biochemistry, 52, 2013
1TJ7
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BU of 1tj7 by Molmil
Structure determination and refinement at 2.44 A resolution of Argininosuccinate lyase from E. coli
分子名称: Argininosuccinate lyase, GLYCEROL, PHOSPHATE ION
著者Bhaumik, P, Koski, M.K, Bergman, U, Wierenga, R.K.
登録日2004-06-03
公開日2004-10-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structure determination and refinement at 2.44 A resolution of argininosuccinate lyase from Escherichia coli.
Acta Crystallogr.,Sect.D, 60, 2004
1TJL
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BU of 1tjl by Molmil
Crystal structure of transcription factor DksA from E. coli
分子名称: DnaK suppressor protein, ZINC ION
著者Perederina, A, Svetlov, V, Vassylyeva, M.N, Artsimovitch, I, Yokoyama, S, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-06-06
公開日2004-09-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Regulation through the secondary channel--structural framework for ppGpp-DksA synergism during transcription
Cell(Cambridge,Mass.), 118, 2004
1VND
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BU of 1vnd by Molmil
VND/NK-2 PROTEIN (HOMEODOMAIN), NMR
分子名称: VND/NK-2 PROTEIN
著者Tsao, D.H.H, Gruschus, J.M, Wang, L.-H, Nirenberg, M, Ferretti, J.A.
登録日1996-05-22
公開日1996-11-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The three-dimensional solution structure of the NK-2 homeodomain from Drosophila.
J.Mol.Biol., 251, 1995
7A9B
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BU of 7a9b by Molmil
Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide
分子名称: 1,2-ETHANEDIOL, SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
著者Mariam McAuley, M, Ali, M, Ivarsson, Y, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2020-09-01
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide
to be published
6AK2
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BU of 6ak2 by Molmil
Crystal structure of the syntenin PDZ1 domain in complex with the peptide inhibitor KSL-128018
分子名称: Syntenin-1, peptide inhibitor KSL-128018
著者Jin, Z.Y, Park, J.H, Yun, J.H, Haugaard-Kedstrom, L.M, Lee, W.T.
登録日2018-08-29
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.868 Å)
主引用文献A High-Affinity Peptide Ligand Targeting Syntenin Inhibits Glioblastoma.
J.Med.Chem., 64, 2021
6I6E
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BU of 6i6e by Molmil
Circular permutant of ribosomal protein S6, swap strand 1 , L10A mutant
分子名称: 30S ribosomal protein S6
著者Wang, H, Logan, D.T, Oliveberg, M.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EJT
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BU of 6ejt by Molmil
Nuclease NucB from Bacillus licheniformis in P21 space group
分子名称: Nuclease, SULFATE ION
著者Stransky, J, Dohnalek, J, Oestergaard, L.A.
登録日2017-09-23
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of novel nuclease NucB from Bacillus licheniformis
To Be Published
6AMI
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BU of 6ami by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11 with Trp non-covalently bound
分子名称: SODIUM ION, TRYPTOPHAN, Tryptophan synthase beta chain 1
著者Buller, A.R.
登録日2017-08-09
公開日2018-05-16
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
6I69
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BU of 6i69 by Molmil
Circular permutant of ribosomal protein S6, adding 5aa to C terminal of P97-3, L10A mutant
分子名称: 30S ribosomal protein S6
著者Wang, H, Logan, D.T, Oliveberg, M.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
8Q5K
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BU of 8q5k by Molmil
PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2t : 2-(4-(3-((6-chloro-1-(2-methoxyethyl)-1H-benzo[d]imidazol-2-yl)amino)-2-hydroxypropoxy)phenyl)acetonitrile
分子名称: 1,2-ETHANEDIOL, 2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, Multiple virulence factor regulator MvfR
著者Markham-Lee, Z.J, Emsley, J.
登録日2023-08-09
公開日2024-01-17
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design, Synthesis, and Evaluation of New 1 H -Benzo[ d ]imidazole Based PqsR Inhibitors as Adjuvant Therapy for Pseudomonas aeruginosa Infections.
J.Med.Chem., 67, 2024
8FQ7
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Nanobody with WIW inserted in CDR3 loop to Inhibit Growth of Alzheimer's Tau fibrils
分子名称: GLYCEROL, Nanobody with WIW insert in CDR3 loop to target tau fibrils
著者Abskharon, R, Sawaya, M.R, Cascio, D.C, Eisenberg, D.S.
登録日2023-01-05
公開日2023-10-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-based design of nanobodies that inhibit seeding of Alzheimer's patient-extracted tau fibrils.
Proc.Natl.Acad.Sci.USA, 120, 2023

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