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6PH3
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BU of 6ph3 by Molmil
LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (dark-adapted, construct 15-273)
分子名称: Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE
著者Rinaldi, J, Otero, L.H, Fernandez, I, Goldbaum, F.A, Shin, H, Yang, X, Klinke, S.
登録日2019-06-25
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase.
Mbio, 12, 2021
6PPS
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BU of 6pps by Molmil
A blue light illuminated LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (construct 15-273)
分子名称: Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE
著者Rinaldi, J, Fernandez, I, Shin, H, Gunawardana, S, Otero, L.H, Cerutti, M.L, Yang, X, Klinke, S, Goldbaum, F.A.
登録日2019-07-08
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase.
Mbio, 12, 2021
6U0S
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BU of 6u0s by Molmil
Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate
分子名称: 2,4-dichlorophenol 6-monooxygenase, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol, CHLORIDE ION, ...
著者Shi, R, Manenda, M.
登録日2019-08-14
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
6TTZ
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BU of 6ttz by Molmil
Structure of the ClpP:ADEP4-complex from Staphylococcus aureus (open state)
分子名称: ATP-dependent Clp protease proteolytic subunit, N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide
著者Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H.
登録日2019-12-30
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes.
Chembiochem, 21, 2020
6TTY
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BU of 6tty by Molmil
Structure of ClpP from Staphylococcus aureus (apo, closed state)
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H.
登録日2019-12-30
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes.
Chembiochem, 21, 2020
6YCE
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BU of 6yce by Molmil
Structure the bromelain protease from Ananas comosus with a thiomethylated active cysteine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FBSB, ISOPROPYL ALCOHOL, ...
著者Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
登録日2020-03-18
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
6YCF
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Structure the bromelain protease from Ananas comosus in complex with the E64 inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, FBSB, ...
著者Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
登録日2020-03-18
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
6WI5
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BU of 6wi5 by Molmil
De novo designed protein Foldit4
分子名称: De novo designed protein Foldit4
著者Bera, A.K, Koepnick, B, Boykov, A, Baker, D.
登録日2020-04-08
公開日2020-04-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献De novo design of protein logic gates.
Science, 368, 2020
6WN0
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BU of 6wn0 by Molmil
The structure of a CoA-dependent acyl-homoserine lactone synthase, RpaI, with the adduct of SAH and p-coumaroyl CoA
分子名称: (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid, 4-coumaroyl-homoserine lactone synthase, COENZYME A
著者Dong, S.-H, Nair, S.K.
登録日2020-04-22
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Biochemical Analysis of Quorum Signal Synthase Specificities.
Acs Chem.Biol., 15, 2020
6WPA
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BU of 6wpa by Molmil
Structure of AvaR1 bound to DNA half-site
分子名称: AvaR1, PAL2-1-5'-GC
著者Kapoor, I, Olivares, P.J, Nair, S.K.
登録日2020-04-26
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
6WP9
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BU of 6wp9 by Molmil
AvaR1 bound to Avenolide
分子名称: (5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one, AvaR1
著者Kapoor, I, Olivares, P.J, Nair, S.K.
登録日2020-04-26
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
6ZXM
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BU of 6zxm by Molmil
Diguanylate cyclase DgcR in complex with c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Putative GGDEF/response regulator receiver domain protein
著者Teixeira, R.D, Schirmer, T.
登録日2020-07-29
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase.
Nat Commun, 12, 2021
6ZXC
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BU of 6zxc by Molmil
Diguanylate cyclase DgcR (I-site mutant) in activated state
分子名称: 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative GGDEF/response regulator receiver domain protein
著者Teixeira, R.D, Schirmer, T.
登録日2020-07-29
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase.
Nat Commun, 12, 2021
6ZXB
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BU of 6zxb by Molmil
Diguanylate cyclase DgcR (I-site mutant) in native state
分子名称: 1,2-ETHANEDIOL, 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Teixeira, R.D, Schirmer, T.
登録日2020-07-29
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase.
Nat Commun, 12, 2021
7JX4
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BU of 7jx4 by Molmil
Crystal Structure of N-Lysine Peptoid-modified Collagen Triple Helix
分子名称: Collagen mimetic peptide with N-Lysine guest
著者Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D.
登録日2020-08-26
公開日2021-07-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices.
J.Am.Chem.Soc., 143, 2021
7JX5
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BU of 7jx5 by Molmil
Crystal Structure of N-Phenylalanine Peptoid-modified Collagen Triple Helix
分子名称: Collagen mimetic peptide with N-Phenylalanine guest
著者Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D.
登録日2020-08-26
公開日2021-07-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices
J.Am.Chem.Soc., 143, 2021
7AHN
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BU of 7ahn by Molmil
Cryo-EM structure of F-actin stabilized by cis-optoJASP-8
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Pospich, S, Raunser, S.
登録日2020-09-24
公開日2021-01-27
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM Resolves Molecular Recognition Of An Optojasp Photoswitch Bound To Actin Filaments In Both Switch States.
Angew.Chem.Int.Ed.Engl., 60, 2021
7AHQ
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BU of 7ahq by Molmil
Cryo-EM structure of F-actin stabilized by trans-optoJASP-8
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Pospich, S, Raunser, S.
登録日2020-09-25
公開日2021-01-27
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM Resolves Molecular Recognition Of An Optojasp Photoswitch Bound To Actin Filaments In Both Switch States.
Angew.Chem.Int.Ed.Engl., 60, 2021
7KEN
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BU of 7ken by Molmil
Protein Tyrosine Phosphatase 1B, D289A mutant, apo state
分子名称: Tyrosine-protein phosphatase non-receptor type 1
著者Fox, J.M, Hongdusit, A.
登録日2020-10-11
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optogenetic Analysis of Allosteric Control in Protein Tyrosine Phosphatases.
Biochemistry, 60, 2021
7L1X
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BU of 7l1x by Molmil
Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600.
分子名称: (2~{Z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{H}-1,4-benzothiazin-3-one, Casein kinase II subunit alpha, GLYCEROL, ...
著者Rechkoblit, O, Aggarwal, A.K.
登録日2020-12-15
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Simultaneous CK2/TNIK/DYRK1 inhibition by 108600 suppresses triple negative breast cancer stem cells and chemotherapy-resistant disease.
Nat Commun, 12, 2021
7DVV
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BU of 7dvv by Molmil
Heme sensor protein PefR from Streptococcus agalactiae bound to operator DNA (28-mer)
分子名称: DNA (28-MER), HTH marR-type domain-containing protein
著者Nishinaga, M, Nagai, S, Nishitani, Y, Sugimoto, H, Shiro, Y, Sawai, H.
登録日2021-01-15
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Heme controls the structural rearrangement of its sensor protein mediating the hemolytic bacterial survival.
Commun Biol, 4, 2021
7BL1
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BU of 7bl1 by Molmil
human complex II-BATS bound to membrane-attached Rab5a-GTP
分子名称: Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O.
登録日2021-01-17
公開日2021-03-03
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (9.8 Å)
主引用文献Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes.
Nat Commun, 12, 2021
7EMN
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BU of 7emn by Molmil
The atomic structure of SHP2 E76A mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Luo, F, Xie, J.J, Zhu, J.D, Liu, C.
登録日2021-04-14
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
7P9T
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BU of 7p9t by Molmil
Crystal structure of CD73 in complex with dCMP in the open form
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-nucleotidase, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-27
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7VW9
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BU of 7vw9 by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 at pH 5.5
分子名称: PBP1
著者Zheng, J, Chen, Z.
登録日2021-11-10
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022

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