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7P9M
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BU of 7p9m by Molmil
BrxU, GmrSD-family Type IV restriction enzyme
Descriptor: CHLORIDE ION, DUF262 domain-containing protein, SULFATE ION
Authors:Picton, D.M, Luyten, Y, Morgan, R.D, Nelson, A, Smith, D.L, Dryden, D.T.F, Hinton, J.C.D, Blower, T.R.
Deposit date:2021-07-27
Release date:2021-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The phage defence island of a multidrug resistant plasmid uses both BREX and type IV restriction for complementary protection from viruses.
Nucleic Acids Res., 49, 2021
5BQ6
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BU of 5bq6 by Molmil
Structure of the yeast F1FO ATPase C10 ring with oligomycin B
Descriptor: ATP synthase subunit 9, mitochondrial, oligomycin B
Authors:Symersky, J, Xu, T, Mueller, D.M.
Deposit date:2015-05-28
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the yeast F1FO ATPase C10 ring with oligomycin B
To be Published
5BQJ
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BU of 5bqj by Molmil
Structure of the yeast F1FO ATPase C10 ring with 21-hydroxy-oligomycin
Descriptor: 21-hydroxy-oligomycin, ATP synthase subunit 9, mitochondrial
Authors:Symersky, J, Xu, T, Mueller, D.M.
Deposit date:2015-05-29
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the yeast F1FO ATPase C10 ring with 21-hydroxy-oligomycin
To be Published
5BQA
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BU of 5bqa by Molmil
Structure of the yeast F1FO ATPase C10 ring with oligomycin C
Descriptor: ATP synthase subunit 9, mitochondrial, oligomycin C
Authors:Symersky, J, Xu, T, Mueller, D.M.
Deposit date:2015-05-28
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the yeast F1FO ATPase C10 ring with oligomycin C
To be Published
5BPS
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BU of 5bps by Molmil
Structure of the yeast F1FO ATPase C10 ring with oligomycin A
Descriptor: ATP synthase subunit 9, mitochondrial, Oligomycin A
Authors:Symersky, J, Xu, T, Mueller, D.M.
Deposit date:2015-05-28
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the yeast F1FO ATPase C10 ring with oligomycin A
To be Published
7QFZ
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BU of 7qfz by Molmil
BrxR, a WYL-domain containing transcriptional regulator
Descriptor: SULFATE ION, WYL domain-containing protein
Authors:Picton, D.M, Blower, T.R.
Deposit date:2021-12-07
Release date:2022-05-18
Last modified:2022-06-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A widespread family of WYL-domain transcriptional regulators co-localizes with diverse phage defence systems and islands.
Nucleic Acids Res., 50, 2022
7PTF
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BU of 7ptf by Molmil
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ...
Authors:Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
Deposit date:2021-09-27
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7PQL
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BU of 7pql by Molmil
Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704
Descriptor: 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B
Authors:Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
Deposit date:2021-09-17
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7PTG
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BU of 7ptg by Molmil
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888
Descriptor: 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B
Authors:Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
Deposit date:2021-09-27
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7PQI
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BU of 7pqi by Molmil
Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin
Descriptor: 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN
Authors:Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
Deposit date:2021-09-17
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7PQM
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BU of 7pqm by Molmil
Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888
Descriptor: 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B
Authors:Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
Deposit date:2021-09-17
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7R6Z
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BU of 7r6z by Molmil
OXA-48 bound by Compound 3.3
Descriptor: 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.
Deposit date:2021-06-24
Release date:2021-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7QPO
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BU of 7qpo by Molmil
Crystal structure of human trans-3-Hydroxy-L-proline dehydratase
Descriptor: Trans-3-hydroxy-L-proline dehydratase
Authors:Ferrario, E, Miggiano, R, Rizzi, M, Ferraris, D.M.
Deposit date:2022-01-05
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:The integration of AlphaFold-predicted and crystal structures of human trans -3-hydroxy-l-proline dehydratase reveals a regulatory catalytic mechanism.
Comput Struct Biotechnol J, 20, 2022
7QYS
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BU of 7qys by Molmil
Crystal structure of RimK from Pseudomonas syringae DC3000
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Probable alpha-L-glutamate ligase
Authors:Thompson, C.M.A, Little, R.H, Stevenson, C.E.M, Lawson, D.M, Malone, J.G.
Deposit date:2022-01-29
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the mechanism of adaptive ribosomal modification by Pseudomonas RimK.
Proteins, 91, 2023
7QYR
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BU of 7qyr by Molmil
Crystal structure of RimK from Pseudomonas aeruginosa PAO1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Probable alpha-L-glutamate ligase, poly-glutamate
Authors:Thompson, C.M.A, Little, R.H, Stevenson, C.E.M, Lawson, D.M, Malone, J.G.
Deposit date:2022-01-29
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the mechanism of adaptive ribosomal modification by Pseudomonas RimK.
Proteins, 91, 2023
6U62
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BU of 6u62 by Molmil
Raptor-Rag-Ragulator complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rogala, K.B, Sabatini, D.M.
Deposit date:2019-08-29
Release date:2019-10-30
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis for the docking of mTORC1 on the lysosomal surface.
Science, 366, 2019
1RYT
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BU of 1ryt by Molmil
RUBRERYTHRIN
Descriptor: FE (III) ION, RUBRERYTHRIN
Authors:Demare, F, Kurtz, D.M, Nordlund, P.
Deposit date:1996-04-26
Release date:1997-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of Desulfovibrio vulgaris rubrerythrin reveals a unique combination of rubredoxin-like FeS4 and ferritin-like diiron domains.
Nat.Struct.Biol., 3, 1996
6ULG
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BU of 6ulg by Molmil
Cryo-EM structure of the FLCN-FNIP2-Rag-Ragulator complex
Descriptor: Folliculin, Folliculin-interacting protein 2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Shen, K, Rogala, K.B, Yu, Z.H, Sabatini, D.M.
Deposit date:2019-10-08
Release date:2019-11-20
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Cryo-EM Structure of the Human FLCN-FNIP2-Rag-Ragulator Complex.
Cell, 179, 2019
6UKN
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BU of 6ukn by Molmil
Cryo-EM structure of the potassium-chloride cotransporter KCC4 in lipid nanodiscs
Descriptor: CHLORIDE ION, POTASSIUM ION, Solute carrier family 12 member 7, ...
Authors:Reid, M.S, Kern, D.M, Brohawn, S.G.
Deposit date:2019-10-05
Release date:2020-06-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Cryo-EM structure of the potassium-chloride cotransporter KCC4 in lipid nanodiscs.
Elife, 9, 2020
6U6G
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BU of 6u6g by Molmil
Solution NMR structure of the nodule-specific cysteine-rich peptide NCR044 from Medicago truncatula
Descriptor: Putative Late nodulin
Authors:Velivelli, S.L.S, Buchko, G.W, Shah, D.M.
Deposit date:2019-08-29
Release date:2019-10-09
Last modified:2024-03-27
Method:SOLUTION NMR
Cite:Antifungal symbiotic peptide NCR044 exhibits unique structure and multifaceted mechanisms of action that confer plant protection.
Proc.Natl.Acad.Sci.USA, 117, 2020
1TIE
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BU of 1tie by Molmil
CRYSTAL STRUCTURE OF A KUNITZ-TYPE TRYPSIN INHIBITOR FROM ERYTHRINA CAFFRA SEEDS
Descriptor: ERYTHRINA TRYPSIN INHIBITOR
Authors:Onesti, S, Brick, P, Blow, D.M.
Deposit date:1991-02-14
Release date:1992-07-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a Kunitz-type trypsin inhibitor from Erythrina caffra seeds.
J.Mol.Biol., 217, 1991
6UVK
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BU of 6uvk by Molmil
OXA-48 bound by inhibitor CDD-97
Descriptor: 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G.
Deposit date:2019-11-02
Release date:2020-05-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries.
Acs Infect Dis., 6, 2020
6VH7
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BU of 6vh7 by Molmil
Doublet Tau Fibril from Corticobasal Degeneration Human Brain Tissue
Descriptor: Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-09
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
6URA
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BU of 6ura by Molmil
Crystal structure of RUBISCO from Promineofilum breve
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain
Authors:Pereira, J.H, Banda, D.M, Liu, A.K, Shih, P.M, Adams, P.D.
Deposit date:2019-10-23
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Novel bacterial clade reveals origin of form I Rubisco.
Nat.Plants, 6, 2020
6V1S
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BU of 6v1s by Molmil
Structure of the Clostridioides difficile transferase toxin
Descriptor: ADP-ribosylating binary toxin enzymatic subunit CdtA, ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Sheedlo, M.J, Anderson, D.M, Thomas, A.K, Lacy, D.B.
Deposit date:2019-11-21
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural elucidation of theClostridioides difficiletransferase toxin reveals a single-site binding mode for the enzyme.
Proc.Natl.Acad.Sci.USA, 117, 2020

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