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8AID
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BU of 8aid by Molmil
Crystal structure of N-terminally truncated PA4183 from P. aeruginosa PAO1
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, PA4183
著者Popp, M.A, Blankenfeldt, W.
登録日2022-07-26
公開日2022-11-30
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure of N-terminally truncated PA4183 from P. aeruginosa PAO1
To Be Published
7RBX
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BU of 7rbx by Molmil
Crystal structure of isocitrate lyase and phosphorylmutase:isocitrate lyase from Brucella melitensis biovar Abortus 2308 bound to itaconic acid
分子名称: 1,2-ETHANEDIOL, 2-methylidenebutanedioic acid, Isocitrase, ...
著者Seattle Structural Genomics Center for Infectious Disease, Edwards, T.E, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-07-06
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Aconitate decarboxylase 1 participates in the control of pulmonary Brucella infection in mice.
Plos Pathog., 17, 2021
3SK2
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BU of 3sk2 by Molmil
Crystal structure of phenazine resistance protein EhpR from Enterobacter agglomerans (Erwinia herbicola, Pantoea agglomerans) Eh1087 in complex with griseoluteic acid
分子名称: 6-formyl-9-methoxyphenazine-1-carboxylic acid, EhpR
著者Blankenfeldt, W, Yu, S.
登録日2011-06-22
公開日2011-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Atomic resolution structure of EhpR: phenazine resistance in Enterobacter agglomerans Eh1087 follows principles of bleomycin / mitomycin C resistance in other bacteria.
Bmc Struct.Biol., 11, 2011
3SK1
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BU of 3sk1 by Molmil
Crystal structure of phenazine resistance protein EhpR from Enterobacter agglomerans (Erwinia herbicola, Pantoea agglomerans) Eh1087, apo form
分子名称: EhpR
著者Blankenfeldt, W, Yu, S.
登録日2011-06-22
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Atomic resolution structure of EhpR: phenazine resistance in Enterobacter agglomerans Eh1087 follows principles of bleomycin / mitomycin C resistance in other bacteria.
Bmc Struct.Biol., 11, 2011
6DPT
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BU of 6dpt by Molmil
X-ray crystal structure of AmpC beta-lactamase with nanomolar inhibitor
分子名称: 3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DPY
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BU of 6dpy by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
8U7I
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BU of 8u7i by Molmil
Structure of the phage immune evasion protein Gad1 bound to the Gabija GajAB complex
分子名称: Endonuclease GajA, Gabija Anti-Defense 1, Gabija protein GajB
著者Antine, S.P, Johnson, A.G, Mooney, S.E, Mayer, M.L, Kranzusch, P.J.
登録日2023-09-15
公開日2023-11-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献Structural basis of Gabija anti-phage defence and viral immune evasion.
Nature, 625, 2024
8C86
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BU of 8c86 by Molmil
Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 2
分子名称: (2,4-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
著者Poonsiri, T, Benini, S, Loconte, V, Cianci, M.
登録日2023-01-18
公開日2024-01-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献3-O-Methyltolcapone and Its Lipophilic Analogues Are Potent Inhibitors of Transthyretin Amyloidogenesis with High Permeability and Low Toxicity.
Int J Mol Sci, 25, 2023
8C85
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BU of 8c85 by Molmil
Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 1
分子名称: (3,5-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
著者Poonsiri, T, Benini, S, Loconte, V, Cianci, M.
登録日2023-01-18
公開日2024-01-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献3-O-Methyltolcapone and Its Lipophilic Analogues Are Potent Inhibitors of Transthyretin Amyloidogenesis with High Permeability and Low Toxicity.
Int J Mol Sci, 25, 2023
7A4P
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BU of 7a4p by Molmil
Structure of small high-light grown Chlorella ohadii photosystem I
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (3R)-beta,beta-caroten-3-ol, ...
著者Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E.
登録日2020-08-20
公開日2021-07-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
6ZZY
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BU of 6zzy by Molmil
Structure of high-light grown Chlorella ohadii photosystem I
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ...
著者Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E.
登録日2020-08-05
公開日2021-07-28
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
6ZZX
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BU of 6zzx by Molmil
Structure of low-light grown Chlorella ohadii Photosystem I
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (3R)-beta,beta-caroten-3-ol, ...
著者Caspy, I, Nelson, N, Nechushtai, R, Neumann, E, Shkolnisky, Y.
登録日2020-08-05
公開日2021-07-28
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
8TTO
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BU of 8tto by Molmil
Structure of Hachiman anti-defense 1 (Had1)
分子名称: Hachiman
著者Ragucci, A.E, Antine, S.P, Kranzusch, P.J.
登録日2023-08-14
公開日2023-11-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
8OWU
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BU of 8owu by Molmil
The crystal structure of the polymorphic toxin PT7(Bc) D37A mutant and its cognate immunity PIM7(Bc) complex
分子名称: MAGNESIUM ION, PIM7, Transposase
著者Tzarum, N, Fraenkel, R, Deouell, N, Cahana, I.
登録日2023-04-28
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Systematic Discovery of Antibacterial and Antifungal Bacterial Toxins
To Be Published
8OWS
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BU of 8ows by Molmil
The crystal structure of the polymorphic toxin PT1(Em) H44A mutant and its cognate immunity PIM1(Em) complex
分子名称: PIM1, Type IV secretion protein Rhs
著者Tzarum, N, Fraenkel, R, Deouell, N, Cahana, I.
登録日2023-04-28
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Systematic Discovery of Antibacterial and Antifungal Bacterial Toxins
To Be Published
8V9M
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BU of 8v9m by Molmil
Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid.
分子名称: 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid, GLYCEROL, Ornithine aminotransferase, ...
著者Vargas, A.L, Devitt, A, Kaley, N, Silverman, R, Liu, D.
登録日2023-12-08
公開日2024-05-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Design, Synthesis, and Mechanistic Studies of ( R )-3-Amino-5,5-difluorocyclohex-1-ene-1-carboxylic Acid as an Inactivator of Human Ornithine Aminotransferase.
Acs Chem.Biol., 19, 2024
7T27
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BU of 7t27 by Molmil
Structure of phage FBB1 anti-CBASS nuclease Acb1-3'3'-cGAMP complex in post reaction state
分子名称: Acb1, SULFATE ION, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid
著者Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
登録日2021-12-03
公開日2022-04-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
7T26
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BU of 7t26 by Molmil
Structure of phage FBB1 anti-CBASS nuclease Acb1 in apo state
分子名称: Acb1
著者Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
登録日2021-12-03
公開日2022-04-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
7T28
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BU of 7t28 by Molmil
Structure of phage Bsp38 anti-Pycsar nuclease Apyc1 in apo state
分子名称: Putative metal-dependent hydrolase, ZINC ION
著者Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
登録日2021-12-03
公開日2022-04-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
7U2R
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BU of 7u2r by Molmil
Structure of Paenibacillus sp. J14 Apyc1
分子名称: Apyc1, ZINC ION
著者Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
登録日2022-02-24
公開日2022-04-20
最終更新日2022-06-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
7U2S
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BU of 7u2s by Molmil
Structure of Paenibacillus xerothermodurans Apyc1 in the apo state
分子名称: Apyc1, ZINC ION
著者Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
登録日2022-02-24
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
8SM3
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BU of 8sm3 by Molmil
Structure of Bacillus cereus VD045 Gabija GajA-GajB Complex
分子名称: Endonuclease GajA, Gabija protein GajB, SULFATE ION
著者Antine, S.P, Mooney, S.E, Johnson, A.G, Kranzusch, P.J.
登録日2023-04-25
公開日2023-11-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of Gabija anti-phage defence and viral immune evasion.
Nature, 625, 2024
5M3C
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BU of 5m3c by Molmil
Structure of the hybrid domain (GGDEF-EAL) of PA0575 from Pseudomonas aeruginosa PAO1 at 2.8 Ang. with GTP and Ca2+ bound to the active site of the GGDEF domain
分子名称: CALCIUM ION, Diguanylate cyclase, GUANOSINE-5'-TRIPHOSPHATE
著者Giardina, G, Brunotti, P, Cutruzzola, F, Rinaldo, S.
登録日2016-10-14
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insights into the GTP-dependent allosteric control of c-di-GMP hydrolysis from the crystal structure of PA0575 protein from Pseudomonas aeruginosa.
FEBS J., 285, 2018
6GSR
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BU of 6gsr by Molmil
Single Particle Cryo-EM map of human Transferrin receptor 1 - H-Ferritin complex at 5.5 Angstrom resolution.
分子名称: Ferritin heavy chain, Transferrin receptor protein 1
著者Testi, C, Montemiglio, L.C, Vallone, B, Des Georges, A, Boffi, A, Mancia, F, Baiocco, P.
登録日2018-06-15
公開日2019-03-27
最終更新日2019-05-08
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Cryo-EM structure of the human ferritin-transferrin receptor 1 complex.
Nat Commun, 10, 2019
6H5I
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BU of 6h5i by Molmil
Single Particle Cryo-EM map of human Transferrin receptor 1 - H-Ferritin complex.
分子名称: Ferritin heavy chain, Transferrin receptor protein 1
著者Testi, C, Montemiglio, L.C, Vallone, B, Des Georges, A, Boffi, A, Mancia, F, Baiocco, P, Savino, C.
登録日2018-07-24
公開日2019-03-27
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structure of the human ferritin-transferrin receptor 1 complex.
Nat Commun, 10, 2019

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