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6YPD
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BU of 6ypd by Molmil
Crystal structure of AmpC from E. coli with Cyclic Boronate 3 (CB3 / APC308)
分子名称: (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Lang, P.A, Brem, J, Schofield, C.J.
登録日2020-04-15
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
6PAG
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BU of 6pag by Molmil
Killer cell immunoglobulin-like receptor 2DL3 in complex with HLA-C*07:02
分子名称: ARG-TYR-ARG-PRO-GLY-THR-VAL-ALA-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Moradi, S, Rossjohn, J, Vivian, J.P.
登録日2019-06-11
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural plasticity of KIR2DL2 and KIR2DL3 enables altered docking geometries atop HLA-C.
Nat Commun, 12, 2021
6Y3V
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BU of 6y3v by Molmil
14-3-3 Sigma in complex with phosphorylated c-Jun peptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ...
著者Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
登録日2020-02-19
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
7QAN
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BU of 7qan by Molmil
Cytochrome P450 Enzyme AbyV
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ...
著者Parnell, A.E, Back, C.R, Race, P.R.
登録日2021-11-17
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8WCT
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BU of 8wct by Molmil
The crystal structure of the CHASE4 domain of iron-sensetive membrane protein (IsmP,Uniprot ID:Q9I243)
分子名称: Bifunctional diguanylate cyclase/phosphodiesterase, GLYCEROL
著者Wang, C.C.
登録日2023-09-13
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Nat Commun, 15, 2024
6XVM
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BU of 6xvm by Molmil
Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 2
分子名称: GLYCEROL, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A, Plaza-Garrido, M.
登録日2020-01-22
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
8FX4
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BU of 8fx4 by Molmil
GC-C-Hsp90-Cdc37 regulatory complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Guanylyl cyclase C, Heat shock protein HSP 90-beta, ...
著者Caveney, N.A, Garcia, K.C.
登録日2023-01-23
公開日2023-07-12
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insight into guanylyl cyclase receptor hijacking of the kinase-Hsp90 regulatory mechanism.
Elife, 12, 2023
6XX3
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Crystal structure of the c-Src SH3 domain H122R-Q128E mutant in complex with Cu(II) at pH 6.5 co-crystallized with methyl beta-cyclodextrin
分子名称: COPPER (II) ION, Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A.
登録日2020-01-26
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
6XX4
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Crystal structure of the c-Src SH3 domain H122R-Q128E mutant in complex with Ni(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin
分子名称: Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A.
登録日2020-01-26
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
6XX5
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Crystal structure of the c-Src SH3 domain H122R-Q128K mutant in complex with Ni(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin
分子名称: Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A.
登録日2020-01-26
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
6XX2
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BU of 6xx2 by Molmil
Crystal structure of the c-Src SH3 domain H122R-Q128K mutant in complex with Cu(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin
分子名称: COPPER (II) ION, Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A.
登録日2020-01-26
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
8E18
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BU of 8e18 by Molmil
Crystal structure of apo TnmK1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Secreted hydrolase
著者Liu, Y.-C, Gui, C, Shen, B.
登録日2022-08-10
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
8E19
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BU of 8e19 by Molmil
Crystal structure of TnmK1 complexed with TNM H
分子名称: (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SUCCINIC ACID, ...
著者Liu, Y.-C, Gui, C, Shen, B.
登録日2022-08-10
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
8DR5
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BU of 8dr5 by Molmil
Open state of RFC:PCNA bound to a 3' ss/dsDNA junction (DNA2) with NTD
分子名称: DNA (5'-D(P*AP*GP*GP*GP*GP*GP*GP*GP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*TP*TP*T)-3'), DNA (5'-D(P*GP*GP*CP*CP*CP*CP*CP*CP*CP*GP*GP*C)-3'), ...
著者Schrecker, M, Hite, R.K.
登録日2022-07-20
公開日2022-08-17
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Multistep loading of a DNA sliding clamp onto DNA by replication factor C.
Elife, 11, 2022
8WCN
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BU of 8wcn by Molmil
Cryo-EM structure of PAO1-ImcA with GMPCPP
分子名称: Diguanylate cyclase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Zhan, X.L, Zhang, K, Wang, C.C, Fan, Q, Tang, X.J, Zhang, X, Wang, K, Fu, Y, Liang, H.H.
登録日2023-09-13
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Nat Commun, 15, 2024
7R3T
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BU of 7r3t by Molmil
Crystal structure of the Dimeric C-terminal Big_2-CBM56 domains from Paenibacillus illinoisensis (Bacillus circulans IAM1165) beta-1,3-glucanase H
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Beta-1,3-glucanase bglH, CHLORIDE ION, ...
著者Najmudin, S, Venditto, I, Fontes, C.M.G.A, Bule, P.
登録日2022-02-07
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.109 Å)
主引用文献Structural and biochemical characterization of C-terminal Big_2-CBM56 domains of Paenibacillus illinoisensis IAM1165 beta-1,3-glucanase H and Paenibacillus sp CBM56
To be published
7R1N
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BU of 7r1n by Molmil
Crystal structure of the Tetrameric C-terminal Big_2-CBM56 domains from Paenibacillus illinoisensis (Bacillus circulans IAM1165) beta-1,3-glucanase H
分子名称: Beta-1,3-glucanase bglH, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Najmudin, S, Venditto, I, Fontes, C.M.G.A, Bule, P.
登録日2022-02-03
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.072 Å)
主引用文献Structural and biochemical characterization of C-terminal Big_2-CBM56 domains of Paenibacillus illinoisensis IAM1165 beta-1,3-glucanase H and Paenibacillus sp CBM56
To be published
6WIF
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BU of 6wif by Molmil
Class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ...
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-09
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid
To Be Published
6XG1
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BU of 6xg1 by Molmil
Class C beta-lactamase from Escherichia coli
分子名称: 1,2-ETHANEDIOL, Beta-lactamase
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-16
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Class C beta-lactamase from Escherichia coli
To Be Published
7ACK
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BU of 7ack by Molmil
CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor
分子名称: 1,2-ETHANEDIOL, 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one, Cyclin-A2, ...
著者Skerlova, J, Pachl, P, Rezacova, P.
登録日2020-09-11
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure.
Eur.J.Med.Chem., 216, 2021
6UAE
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BU of 6uae by Molmil
Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, EQUILENIN, Ketosteroid isomerase with designed loop, ...
著者Krivacic, C, Kundert, K, Thompson, M.C, Fraser, J.S, Kortemme, T.
登録日2019-09-10
公開日2020-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
To Be Published
6XA3
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BU of 6xa3 by Molmil
Structure of the ligand free P450 monooxygenase TamI
分子名称: PROTOPORPHYRIN IX CONTAINING FE, TamI
著者Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H.
登録日2020-06-03
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway.
Acs Catalysis, 10, 2020
7N1Z
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BU of 7n1z by Molmil
NMR structure of native PnIA
分子名称: Alpha-conotoxin PnIA
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N24
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BU of 7n24 by Molmil
NMR structure of native EpI
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N25
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BU of 7n25 by Molmil
NMR structure of EpI-OH
分子名称: Alpha-conotoxin EpI-OH
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021

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