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8OWF
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BU of 8owf by Molmil
Clostridium perfringens chitinase CP4_3455 with chitosan
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ...
著者Bloch, Y, Savvides, S.N.
登録日2023-04-27
公開日2023-07-12
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Clostridium perfringens chitinase CP4_3455 with chitosan
To Be Published
8OVR
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BU of 8ovr by Molmil
Clostridium perfringens chitinase CP56_3454 apo form
分子名称: Chitinase B, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), SODIUM ION, ...
著者Bloch, Y, Savvides, S.N.
登録日2023-04-26
公開日2023-07-12
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Clostridium perfringens chitinase CP56_3454 apo form
To Be Published
8OXU
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BU of 8oxu by Molmil
Crystal Structure of the Hsp90-LA1011 Complex
分子名称: ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
著者Roe, S.M, Prodromou, C.
登録日2023-05-02
公開日2023-07-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease.
Biomolecules, 13, 2023
7PQN
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BU of 7pqn by Molmil
Catalytic fragment of MASP-2 in complex with ecotin
分子名称: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 2 A chain, ...
著者Harmat, V, Fodor, K, Heja, D.
登録日2021-09-17
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.400015 Å)
主引用文献Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
7PQO
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BU of 7pqo by Molmil
Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin
分子名称: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ...
著者Harmat, V, Fodor, K, Heja, D.
登録日2021-09-17
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
5H31
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BU of 5h31 by Molmil
Structural basis for dimerization of the death effector domains of Caspase-8
分子名称: Caspase-8
著者Shen, C, Pei, J, Guo, X, Quan, J.
登録日2016-10-19
公開日2017-10-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.16953516 Å)
主引用文献Structural basis for dimerization of the death effector domains of Caspase-8
To Be Published
5HLL
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BU of 5hll by Molmil
Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
分子名称: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Helliwell, J.R.
登録日2016-01-15
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5I6U
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BU of 5i6u by Molmil
The crystal structure of PI3Kdelta with compound 32
分子名称: 2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.G.
登録日2016-02-16
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.842 Å)
主引用文献The crystal structure of PI3Kdelta with compound 32
To Be Published
6GER
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BU of 6ger by Molmil
Wheat b-amylase, a clinically relevant food allergen
分子名称: Beta-amylase
著者Hofer, G, Keller, W.
登録日2018-04-27
公開日2018-12-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.00004673 Å)
主引用文献Three-dimensional structure of the wheat beta-amylase Tri a 17, a clinically relevant food allergen.
Allergy, 74, 2019
6TYF
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BU of 6tyf by Molmil
Crystal structure of MTB sigma L transcription initiation complex with 6 nt long RNA primer
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*T)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Molodtsov, V, Ebright, R.H.
登録日2019-08-08
公開日2020-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TYG
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BU of 6tyg by Molmil
Crystal structure of MTB sigma L transcription initiation complex with 9 nt long RNA primer
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Molodtsov, V, Ebright, R.H.
登録日2019-08-08
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U1V
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BU of 6u1v by Molmil
Crystal structure of acyl-ACP/acyl-CoA dehydrogenase from allylmalonyl-CoA and FK506 biosynthesis, TcsD
分子名称: Acyl-CoA dehydrogenase domain-containing protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者Blake-Hedges, J.M, Pereira, J.H, Barajas, J.F, Adams, P.D, Keasling, J.D.
登録日2019-08-16
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Mechanism of Regioselectivity in an Unusual Bacterial Acyl-CoA Dehydrogenase.
J.Am.Chem.Soc., 142, 2020
6U0O
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BU of 6u0o by Molmil
Crystal structure of a peptidoglycan release complex, SagB-SpdC, in lipidic cubic phase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(2-ETHOXYETHOXY)ETHANOL, CITRATE ANION, ...
著者Owens, T.W, Schaefer, K, Kahne, D, Walker, S.
登録日2019-08-14
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and reconstitution of a hydrolase complex that may release peptidoglycan from the membrane after polymerization.
Nat Microbiol, 6, 2021
6TYE
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BU of 6tye by Molmil
Crystal structure of MTB sigma L transcription initiation complex with 5 nt long RNA primer
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Molodtsov, V, Ebright, R.H.
登録日2019-08-08
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ULX
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BU of 6ulx by Molmil
Adenylation domain of a keto acid-selecting NRPS module bound to keto acyl adenylate space group P43212
分子名称: 5'-O-{(S)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine, Amino acid adenylation domain-containing protein, SULFATE ION
著者Alonzo, D.A, Chiche-Lapierre, C, Schmeing, T.M.
登録日2019-10-08
公開日2020-02-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
6UTN
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BU of 6utn by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
分子名称: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ...
著者Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
登録日2019-10-29
公開日2019-12-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6UTM
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BU of 6utm by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
分子名称: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ...
著者Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
登録日2019-10-29
公開日2019-12-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6UTO
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BU of 6uto by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
分子名称: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ...
著者Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
登録日2019-10-29
公開日2019-12-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6VBK
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BU of 6vbk by Molmil
Crystal structure of N-terminal domain of Mycobacterium tuberculosis complex Lon protease
分子名称: GLYCEROL, Lon211
著者Bi, F.K, Chen, C, Chen, X.Y, Guo, C.Y, Lin, D.H.
登録日2019-12-19
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
6UP0
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BU of 6up0 by Molmil
Structure of the Mango-III fluorescent aptamer bound to YO3-Biotin
分子名称: MAGNESIUM ION, Mango-III fluorescent aptamer, POTASSIUM ION, ...
著者Trachman, R.J, Ferre-D'Amare, A.R.
登録日2019-10-16
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET.
Rna, 27, 2021
6VFH
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BU of 6vfh by Molmil
De novo designed tetrahedral nanoparticle T33_dn10
分子名称: T33_dn10A, T33_dn10B
著者Antanasijevic, A, Ward, A.B.
登録日2020-01-05
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
6VFJ
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BU of 6vfj by Molmil
De novo designed icosahedral nanoparticle I53_dn5
分子名称: I53_dn5A, I53_dn5B
著者Antanasijevic, A, Ward, A.B.
登録日2020-01-05
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.35 Å)
主引用文献Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
6VFI
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BU of 6vfi by Molmil
De novo designed octahedral nanoparticle O43_dn18
分子名称: O43_dn18A, O43_dn18B
著者Antanasijevic, A, Ward, A.B.
登録日2020-01-05
公開日2020-08-12
最終更新日2020-08-19
実験手法ELECTRON MICROSCOPY (4.54 Å)
主引用文献Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
6VEH
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BU of 6veh by Molmil
Computationally designed C3-symmetric homotrimer from HEAT repeat protein
分子名称: HEAT repeat domain-containing protein
著者Bick, M.J, Ueda, G, Baker, D.
登録日2020-01-02
公開日2020-08-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
6VIF
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Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2020-01-13
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020

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