6PH3
| LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (dark-adapted, construct 15-273) | Descriptor: | Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE | Authors: | Rinaldi, J, Otero, L.H, Fernandez, I, Goldbaum, F.A, Shin, H, Yang, X, Klinke, S. | Deposit date: | 2019-06-25 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase. Mbio, 12, 2021
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6PPS
| A blue light illuminated LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (construct 15-273) | Descriptor: | Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE | Authors: | Rinaldi, J, Fernandez, I, Shin, H, Gunawardana, S, Otero, L.H, Cerutti, M.L, Yang, X, Klinke, S, Goldbaum, F.A. | Deposit date: | 2019-07-08 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase. Mbio, 12, 2021
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6U0S
| Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate | Descriptor: | 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, ... | Authors: | Shi, R, Manenda, M. | Deposit date: | 2019-08-14 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | 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
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6TTZ
| Structure of the ClpP:ADEP4-complex from Staphylococcus aureus (open state) | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2019-12-30 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes. Chembiochem, 21, 2020
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6TTY
| Structure of ClpP from Staphylococcus aureus (apo, closed state) | Descriptor: | ATP-dependent Clp protease proteolytic subunit | Authors: | 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. | Deposit date: | 2019-12-30 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes. Chembiochem, 21, 2020
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6YCE
| Structure the bromelain protease from Ananas comosus with a thiomethylated active cysteine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FBSB, ISOPROPYL ALCOHOL, ... | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | Deposit date: | 2020-03-18 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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6YCF
| Structure the bromelain protease from Ananas comosus in complex with the E64 inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, FBSB, ... | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | Deposit date: | 2020-03-18 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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
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6WI5
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6WN0
| The structure of a CoA-dependent acyl-homoserine lactone synthase, RpaI, with the adduct of SAH and p-coumaroyl CoA | Descriptor: | (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 | Authors: | Dong, S.-H, Nair, S.K. | Deposit date: | 2020-04-22 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Biochemical Analysis of Quorum Signal Synthase Specificities. Acs Chem.Biol., 15, 2020
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6WPA
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6WP9
| AvaR1 bound to Avenolide | Descriptor: | (5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one, AvaR1 | Authors: | Kapoor, I, Olivares, P.J, Nair, S.K. | Deposit date: | 2020-04-26 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones. Elife, 9, 2020
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6ZXM
| Diguanylate cyclase DgcR in complex with c-di-GMP | Descriptor: | 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 | Authors: | Teixeira, R.D, Schirmer, T. | Deposit date: | 2020-07-29 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Activation mechanism of a small prototypic Rec-GGDEF diguanylate cyclase. Nat Commun, 12, 2021
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6ZXC
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6ZXB
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7JX4
| Crystal Structure of N-Lysine Peptoid-modified Collagen Triple Helix | Descriptor: | Collagen mimetic peptide with N-Lysine guest | Authors: | Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D. | Deposit date: | 2020-08-26 | Release date: | 2021-07-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices. J.Am.Chem.Soc., 143, 2021
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7JX5
| Crystal Structure of N-Phenylalanine Peptoid-modified Collagen Triple Helix | Descriptor: | Collagen mimetic peptide with N-Phenylalanine guest | Authors: | Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D. | Deposit date: | 2020-08-26 | Release date: | 2021-07-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices J.Am.Chem.Soc., 143, 2021
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7AHN
| Cryo-EM structure of F-actin stabilized by cis-optoJASP-8 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Pospich, S, Raunser, S. | Deposit date: | 2020-09-24 | Release date: | 2021-01-27 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM Resolves Molecular Recognition Of An Optojasp Photoswitch Bound To Actin Filaments In Both Switch States. Angew.Chem.Int.Ed.Engl., 60, 2021
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7AHQ
| Cryo-EM structure of F-actin stabilized by trans-optoJASP-8 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Pospich, S, Raunser, S. | Deposit date: | 2020-09-25 | Release date: | 2021-01-27 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM Resolves Molecular Recognition Of An Optojasp Photoswitch Bound To Actin Filaments In Both Switch States. Angew.Chem.Int.Ed.Engl., 60, 2021
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7KEN
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7L1X
| Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600. | Descriptor: | (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, ... | Authors: | Rechkoblit, O, Aggarwal, A.K. | Deposit date: | 2020-12-15 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Simultaneous CK2/TNIK/DYRK1 inhibition by 108600 suppresses triple negative breast cancer stem cells and chemotherapy-resistant disease. Nat Commun, 12, 2021
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7DVV
| Heme sensor protein PefR from Streptococcus agalactiae bound to operator DNA (28-mer) | Descriptor: | DNA (28-MER), HTH marR-type domain-containing protein | Authors: | Nishinaga, M, Nagai, S, Nishitani, Y, Sugimoto, H, Shiro, Y, Sawai, H. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Heme controls the structural rearrangement of its sensor protein mediating the hemolytic bacterial survival. Commun Biol, 4, 2021
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7BL1
| human complex II-BATS bound to membrane-attached Rab5a-GTP | Descriptor: | Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O. | Deposit date: | 2021-01-17 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes. Nat Commun, 12, 2021
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7EMN
| The atomic structure of SHP2 E76A mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Luo, F, Xie, J.J, Zhu, J.D, Liu, C. | Deposit date: | 2021-04-14 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism. J.Biol.Chem., 296, 2021
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7P9T
| Crystal structure of CD73 in complex with dCMP in the open form | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-nucleotidase, CALCIUM ION, ... | Authors: | Scaletti, E.R, Strater, N. | Deposit date: | 2021-07-27 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | 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
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7VW9
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