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8I80
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BU of 8i80 by Molmil
Crystal structure of Cph001-D189N
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J.
Deposit date:2023-02-02
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I82
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BU of 8i82 by Molmil
Crystal structure of Cph001-D189N in complex with CMN IIA
Descriptor: ACETATE ION, KBE-DPP-UAL-MYN-DPP-SER, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
6WTE
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BU of 6wte by Molmil
Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with cobalamin and [4Fe-4S] cluster bound
Descriptor: 1,2-ETHANEDIOL, B12-binding domain-containing protein, COBALAMIN, ...
Authors:Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J.
Deposit date:2020-05-02
Release date:2020-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Nat.Chem.Biol., 17, 2021
6WTF
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BU of 6wtf by Molmil
Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with tryptophan substrate and SAM analog (aza-SAM) bound
Descriptor: COBALAMIN, IRON/SULFUR CLUSTER, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, ...
Authors:Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J.
Deposit date:2020-05-02
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Nat.Chem.Biol., 17, 2021
6JZ0
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BU of 6jz0 by Molmil
Crystal structure of EGFR kinase domain in complex with compound 78
Descriptor: E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide, Epidermal growth factor receptor
Authors:Peng, Y.H, Wu, J.S, Wu, S.Y.
Deposit date:2019-04-30
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Discovery of a Furanopyrimidine-Based Epidermal Growth Factor Receptor Inhibitor (DBPR112) as a Clinical Candidate for the Treatment of Non-Small Cell Lung Cancer.
J.Med.Chem., 62, 2019
5CNV
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BU of 5cnv by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to GDP and TTP at 3.20 Angstroms resolution
Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
Deposit date:2015-07-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
5CNS
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BU of 5cns by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to CDP and dATP at 2.97 Angstroms resolution
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, ...
Authors:Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
Deposit date:2015-07-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.975 Å)
Cite:Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
5CNT
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BU of 5cnt by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to UDP and dATP at 3.25 Angstroms resolution
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, MU-OXO-DIIRON, ...
Authors:Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
Deposit date:2015-07-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
5CNU
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BU of 5cnu by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to ADP and dGTP at 3.40 Angstroms resolution
Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
Deposit date:2015-07-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
5EXD
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BU of 5exd by Molmil
Crystal structure of oxalate oxidoreductase from Moorella thermoacetica bound with carboxy-di-oxido-methyl-TPP (COOM-TPP) intermediate
Descriptor: IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ...
Authors:Gibson, M.I, Chen, P.Y.-T, Drennan, C.L.
Deposit date:2015-11-23
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:One-carbon chemistry of oxalate oxidoreductase captured by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EXE
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BU of 5exe by Molmil
Crystal structure of oxalate oxidoreductase from Moorella thermoacetica bound with carboxy-TPP adduct
Descriptor: IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ...
Authors:Gibson, M.I, Chen, P.Y.-T, Drennan, C.L.
Deposit date:2015-11-23
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:One-carbon chemistry of oxalate oxidoreductase captured by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
7FEA
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BU of 7fea by Molmil
PY14 in complex with Col-D
Descriptor: (6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid, Acetyl-CoA C-acyltransferase
Authors:Lin, C.C, Ko, T.P, Huang, K.F, Yang, Y.L.
Deposit date:2021-07-19
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors.
Commun Biol, 5, 2022
5C8F
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BU of 5c8f by Molmil
Crystal structure of light-exposed full-length Thermus thermophilus CarH bound to cobalamin
Descriptor: CHLORIDE ION, COBALAMIN, GLYCEROL, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5C8A
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BU of 5c8a by Molmil
Crystal structure of a truncated form of Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, GLYCEROL, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5C8E
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BU of 5c8e by Molmil
Crystal structure of Thermus thermophilus CarH bound to adenosylcobalamin and a 26-bp DNA segment
Descriptor: 26-mer DNA segment containing the CarH operator sequence (antisense strand), 26-mer DNA segment containing the CarH operator sequence (sense strand), 5'-DEOXYADENOSINE, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.89 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5C8D
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BU of 5c8d by Molmil
Crystal structure of full-length Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Light-dependent transcriptional regulator CarH
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
7S5L
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BU of 7s5l by Molmil
Cembrene A synthase from Eleutherobia rubra
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cembrene A synthase
Authors:Chen, P.Y.-T, Moore, B.S.
Deposit date:2021-09-10
Release date:2022-06-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Ancient plant-like terpene biosynthesis in corals.
Nat.Chem.Biol., 18, 2022
7SXM
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BU of 7sxm by Molmil
Structure of Xenon-derivatized Methyl-Coenzyme M Reductase from Methanothermobacter marburgensis
Descriptor: 1-THIOETHANESULFONIC ACID, ACETATE ION, Coenzyme B, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2021-11-23
Release date:2022-04-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase.
J.Inorg.Biochem., 230, 2022
5Z19
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BU of 5z19 by Molmil
The crystal structure of Ruminococcus gnavus beta-glucuronidase in complex with uronic isofagomine
Descriptor: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, Beta-glucuronidase
Authors:Dashnyam, P, Lin, H.Y, Lin, C.H.
Deposit date:2017-12-25
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Dissection of the substrate preference and structure of gut microbial beta-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
5Z1A
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BU of 5z1a by Molmil
The crystal structure of Bacteroides fragilis beta-glucuronidase in complex with uronic isofagomine
Descriptor: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, Putative beta-galactosidase
Authors:Dashnyam, P, Lin, H.Y, Lin, C.H.
Deposit date:2017-12-25
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Dissection of the substrate preference and structure of gut microbial-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
5Z18
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BU of 5z18 by Molmil
The crystal structure of Ruminococcus gnavus beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Dashnyam, P, Lin, H.Y, Lin, C.H.
Deposit date:2017-12-25
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Dissection of the substrate preference and structure of gut microbial beta-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
5Z1B
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BU of 5z1b by Molmil
Structure of Bifidobacterium dentium beta-glucuronidase complexed with coumarin-3-O-glucuronide
Descriptor: 3-HYDROXY-2H-CHROMEN-2-ONE, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
Authors:Dashnyam, P, Lin, H.Y, Lin, C.H.
Deposit date:2017-12-25
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Dissection of the substrate preference and structure of gut microbial-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
7SUC
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BU of 7suc by Molmil
XFEL Serial Crystallography Reveals the Room Temperature Structure of Methyl-Coenzyme M Reductase
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Ohmer, C.J, Dasgupta, M.
Deposit date:2021-11-16
Release date:2022-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase.
J.Inorg.Biochem., 230, 2022
7EI3
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BU of 7ei3 by Molmil
Crystal structure of MasL, a thiolase from Massilia sp. YMA4
Descriptor: Acetyl-CoA C-acyltransferase
Authors:Lin, C.C, Huang, K.F, Yang, Y.L.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors.
Commun Biol, 5, 2022
7EI4
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BU of 7ei4 by Molmil
Crystal structure of MasL in complex with a novel covalent inhibitor, collimonin C
Descriptor: (6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid, Acetyl-CoA C-acyltransferase
Authors:Lin, C.C, Huang, K.F, Yang, Y.L.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors.
Commun Biol, 5, 2022
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