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8HNF
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Crystal structure of the ancestral GH19 chitinase Anc5
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Anc5, ...
著者Kozome, D, Laurino, P.
登録日2022-12-07
公開日2023-12-13
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Remote loop evolution reveals a complex biological function for chitinase enzymes beyond the active site.
Nat Commun, 15, 2024
8HMX
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BU of 8hmx by Molmil
WDR5 in complex with histone H3Q5his peptide
分子名称: WD repeat-containing protein 5, histone H3Q5his peptide
著者Li, H.T, Zhao, S, Wang, H.F.
登録日2022-12-06
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献WDR5 in complex with histone H3Q5his peptide
To Be Published
4WVV
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BU of 4wvv by Molmil
Chicken Galectin-8 N-terminal domain complexed with lactose
分子名称: Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Ruiz, F.M, Romero, A.
登録日2014-11-07
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.205 Å)
主引用文献Combining Crystallography and Hydrogen-Deuterium Exchange to Study Galectin-Ligand Complexes.
Chemistry, 21, 2015
4WW3
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BU of 4ww3 by Molmil
Crystal structure of the lumi intermediate of squid rhodopsin
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, DOCOSANE, PALMITIC ACID, ...
著者Murakami, M, Kouyama, T.
登録日2014-11-10
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic Study of the LUMI Intermediate of Squid Rhodopsin
Plos One, 10, 2015
8HNE
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BU of 8hne by Molmil
Crystal structure of the ancestral GH19 chitinase Anc4
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Anc4, ...
著者Kozome, D, Laurino, P.
登録日2022-12-07
公開日2023-12-13
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Remote loop evolution reveals a complex biological function for chitinase enzymes beyond the active site.
Nat Commun, 15, 2024
4WWC
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BU of 4wwc by Molmil
Crystal structure of full length YvoA in complex with palindromic operator DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(P*CP*AP*GP*TP*GP*GP*TP*CP*TP*AP*GP*AP*CP*CP*AP*CP*TP*GP*G)-3'), HTH-type transcriptional repressor YvoA
著者Grau, F.C, Fillenberg, S.B, Muller, Y.A.
登録日2014-11-10
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structural insight into operator dre-sites recognition and effector binding in the GntR/HutC transcription regulator NagR.
Nucleic Acids Res., 43, 2015
8HQZ
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BU of 8hqz by Molmil
Baseplate of DT57C bacteriophage in the full state
分子名称: Baseplate hub protein, Distal tail protein, L-shaped tail fiber assembly, ...
著者Ayala, R, Moiseenko, A.V, Chen, T.H, Kulikov, E.E, Golomidova, A.K, Orekhov, P.S, Street, M.A, Sokolova, O.S, Letarov, A.V, Wolf, M.
登録日2022-12-14
公開日2023-12-13
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Nearly complete structure of bacteriophage DT57C reveals architecture of head-to-tail interface and lateral tail fibers.
Nat Commun, 14, 2023
8HD8
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BU of 8hd8 by Molmil
Crystal structure of TMPRSS2 in complex with 212-148
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
著者Wang, H, Liu, X, Sun, L, Yang, H.
登録日2022-11-03
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
4WWP
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BU of 4wwp by Molmil
Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine
分子名称: GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ...
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4WX5
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BU of 4wx5 by Molmil
pore-forming thermostable direct hemolysin from Grimontia hollisae
分子名称: Hemolysin, heat labile
著者Wang, Y.-K, Wu, T.-K, Li, T.-H.T.
登録日2014-11-13
公開日2015-11-18
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Multiple pleomorphic tetramers of pore-forming thermostable direct hemolysin from Grimontia hollisae in exerting membrane binding and hemolytic activity
To be published
8HOR
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BU of 8hor by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4CH3)-Tyr
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4CH3)-Tyr, PROTOPORPHYRIN IX CONTAINING FE
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2022-12-10
公開日2023-12-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
4WXB
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BU of 4wxb by Molmil
Crystal Structure of Serine Hydroxymethyltransferase from Streptococcus thermophilus
分子名称: CACODYLATE ION, CITRIC ACID, GLYCEROL, ...
著者Hernandez, K, Zelen, I, Petrillo, G, Uson, I, Wandtke, C, Bujons, J, Joglar, J, Parella, T, Clapes, P.
登録日2014-11-13
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Engineered L-Serine Hydroxymethyltransferase from Streptococcus thermophilus for the Synthesis of alpha , alpha-Dialkyl-alpha-Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
8HOS
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BU of 8hos by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4NO2)-Tyr
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4NO2)-Tyr, PROTOPORPHYRIN IX CONTAINING FE
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2022-12-10
公開日2023-12-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HOZ
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BU of 8hoz by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-12-11
公開日2023-12-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir
To Be Published
4WH4
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BU of 4wh4 by Molmil
Protein GB1 Quadruple Mutant I6H/N8H/K28H/Q32H
分子名称: GLYCEROL, Immunoglobulin G-binding protein G, SULFATE ION
著者Cunningham, T.C, Horne, W.S, Saxena, S.
登録日2014-09-19
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The double-histidine Cu2+-binding motif: a highly rigid, site-specific spin probe for electron spin resonance distance measurements.
Angew.Chem.Int.Ed.Engl., 54, 2015
8HO8
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BU of 8ho8 by Molmil
The cryo-EM structure of cellobiose phosphorylase from Clostridium thermocellum in complex with cellobiose
分子名称: Cellobiose phosphorylase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Iriya, S, Kuga, T, Sunagawa, N, Igarashi, K.
登録日2022-12-09
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (2.24 Å)
主引用文献The cryo-EM structure of cellobiose phosphorylase from Clostridium thermocellum in complex with cellobiose
To Be Published
4WH5
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BU of 4wh5 by Molmil
Crystal structure of lincosamide antibiotic adenylyltransferase LnuA, lincomycin-bound
分子名称: CHLORIDE ION, LINCOMYCIN, Lincosamide resistance protein, ...
著者Stogios, P.J, Dong, A, Minasov, G, Evdokimova, E, Egorova, O, Kudritska, M, Yim, O, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-09-20
公開日2014-11-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献CRYSTAL STRUCTURE OF LINCOSAMIDE ANTIBIOTIC ADENYLYLTRANSFERASE LNUA, LINCOMYCIN BOUND
To Be Published
4WHF
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BU of 4whf by Molmil
Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one
分子名称: 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
8HO3
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BU of 8ho3 by Molmil
Capsid of DT57C bacteriophage in the full state
分子名称: Major head protein
著者Ayala, R, Moiseenko, A.V, Chen, T.H, Kulikov, E.E, Golomidova, A.K, Orekhov, P.S, Street, M.A, Sokolova, O.S, Letarov, A.V, Wolf, M.
登録日2022-12-09
公開日2023-12-13
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Nearly complete structure of bacteriophage DT57C reveals architecture of head-to-tail interface and lateral tail fibers.
Nat Commun, 14, 2023
8HEN
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BU of 8hen by Molmil
Crystal structure of CTSB in complex with 212-148
分子名称: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ...
著者Wang, H, Li, D, Sun, L, Yang, H.
登録日2022-11-08
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
4WHM
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BU of 4whm by Molmil
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with UDP
分子名称: ACETATE ION, GLYCEROL, UDP-glucose:anthocyanidin 3-O-glucosyltransferase, ...
著者Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R.
登録日2014-09-23
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Protein Sci., 24, 2015
8HOJ
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BU of 8hoj by Molmil
Crystal structure of UGT71AP2 in complex with UDP
分子名称: UGT71AP2, URIDINE-5'-DIPHOSPHATE
著者Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M.
登録日2022-12-10
公開日2023-12-13
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Functional characterization, structural basis, and protein engineering of a rare flavonoid 2'- O -glycosyltransferase from Scutellaria baicalensis .
Acta Pharm Sin B, 14, 2024
4WHT
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BU of 4wht by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody 3/11, P1 crystal form
分子名称: Epitope peptide, Heavy chain of the Fab fragment derived from neutralizing antibody 3/11, Light chain of the Fab fragment derived from neutralizing antibody 3/11
著者Krey, T, Rey, F.A.
登録日2014-09-23
公開日2014-12-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural flexibility of a conserved antigenic region in hepatitis C virus glycoprotein e2 recognized by broadly neutralizing antibodies.
J.Virol., 89, 2015
4WJ2
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BU of 4wj2 by Molmil
Mycobacterial protein
分子名称: Antigen MTB48
著者Solomonson, M, Strynadka, N.C.J.
登録日2014-09-29
公開日2015-02-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of EspB from the ESX-1 type VII secretion system and insights into its export mechanism.
Structure, 23, 2015
8HOU
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BU of 8hou by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Im-N-C4-Phe-Phe
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-N-C4-Phe-Phe, PROTOPORPHYRIN IX CONTAINING FE
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2022-12-10
公開日2023-12-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023

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