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8HGU
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BU of 8hgu by Molmil
Epoxide hydrolase from Bosea sp. PAMC 26642
Descriptor: Alpha/beta hydrolase
Authors:Lee, M.J, Hwang, J, Do, H, Lee, J.H.
Deposit date:2022-11-15
Release date:2023-11-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural insights into the distinct substrate preferences of two bacterial epoxide hydrolases.
Int.J.Biol.Macromol., 264, 2024
8F2L
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BU of 8f2l by Molmil
Crystal structure of Mycobacterium tuberculosis Homoserine transacetylase in complex with L-Homoserine
Descriptor: Homoserine O-acetyltransferase, L-HOMOSERINE
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-08
Release date:2023-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
Descriptor: (S)-hydroxynitrile lyase
Authors:Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
Deposit date:2022-10-19
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:to be published
To Be Published
8B6R
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BU of 8b6r by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 labeled with a chloroalkane Cyanine3 fluorophore substrate
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Hellweg, L, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-07-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
8B6T
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BU of 8b6t by Molmil
X-ray structure of the interface optimized haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG5-TMR) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate
Descriptor: CHLORIDE ION, Green fluorescent protein,Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Hellweg, L, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
8B6S
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BU of 8b6s by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG1) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate
Descriptor: CHLORIDE ION, GLYCEROL, Green fluorescent protein,Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Hellweg, L, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
8B6O
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BU of 8b6o by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) fused to M13
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) fused to M13
To Be Published
8B6N
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BU of 8b6n by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Haloalkane dehalogenase
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recording physiological history of cells with chemical labeling.
Science, 383, 2024
8B6Q
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BU of 8b6q by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 with an insertion of Calmodulin-M13 fusion at position 154-156 that mimic the structure of CaProLa, an calcium gated protein labeling technology
Descriptor: CALCIUM ION, CHLORIDE ION, Haloalkane dehalogenase,Calmodulin-1,Haloalkane dehalogenase,Calmodulin-1,M13 peptide
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 with an insertion of Calmodulin-M13 fusion at position 154-156 that mimic the structure of CaProLa, an calcium gated protein labeling technology
To Be Published
8B6P
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BU of 8b6p by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 154-156 (cpHaloTag7_154-156)
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Recording physiological history of cells with chemical labeling.
Science, 383, 2024
8B5K
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BU of 8b5k by Molmil
Structure of haloalkane dehalogenase DmmarA from Mycobacterium marinum at pH 6.5
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ...
Authors:Snajdarova, K, Marek, M.
Deposit date:2022-09-23
Release date:2023-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum.
Acta Crystallogr D Struct Biol, 79, 2023
8B5O
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Structure of haloalkane dehalogenase DmmarA from Mycobacterium marinum at pH 5.5
Descriptor: ACETATE ION, FORMIC ACID, GLYCEROL, ...
Authors:Snajdarova, K, Marek, M.
Deposit date:2022-09-23
Release date:2023-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum.
Acta Crystallogr D Struct Biol, 79, 2023
8E5W
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BU of 8e5w by Molmil
Crystal structure of dehydroalanine Hip1
Descriptor: DI(HYDROXYETHYL)ETHER, PALMITIC ACID, Protease, ...
Authors:Goldfarb, N.E, Brooks, C.L, Ostrov, D.A.
Deposit date:2022-08-22
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Biochem.Biophys.Res.Commun., 630, 2022
8E18
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BU of 8e18 by Molmil
Crystal structure of apo TnmK1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Secreted hydrolase
Authors:Liu, Y.-C, Gui, C, Shen, B.
Deposit date:2022-08-10
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
8E19
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BU of 8e19 by Molmil
Crystal structure of TnmK1 complexed with TNM H
Descriptor: (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SUCCINIC ACID, ...
Authors:Liu, Y.-C, Gui, C, Shen, B.
Deposit date:2022-08-10
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
8AGS
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BU of 8ags by Molmil
Cyclohexane epoxide soak of epoxide hydrolase from metagenomic source ch65 resulting in halogenated compound in the active site
Descriptor: 1,2-ETHANEDIOL, 2-CHLOROPHENOL, Alpha/beta epoxide hydrolase, ...
Authors:Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
Deposit date:2022-07-20
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
8AGN
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BU of 8agn by Molmil
Cyclohexane epoxide low pH soak of epoxide hydrolase from metagenomic source ch65
Descriptor: (1R,6S)-7-oxabicyclo[4.1.0]heptane, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ...
Authors:Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
Deposit date:2022-07-20
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.957 Å)
Cite:Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
8AGM
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BU of 8agm by Molmil
Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65
Descriptor: 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ...
Authors:Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
Deposit date:2022-07-20
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
8AGP
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BU of 8agp by Molmil
Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65
Descriptor: (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ...
Authors:Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
Deposit date:2022-07-20
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
8A97
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BU of 8a97 by Molmil
ROOM TEMPERATURE CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) UNDER XENON PRESSURE (30 bar)
Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, D(-)-TARTARIC ACID, XENON
Authors:Bui, S, Prange, T, Steiner, R.A.
Deposit date:2022-06-27
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.897 Å)
Cite:Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
7ZM4
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BU of 7zm4 by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC31
Descriptor: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, undecyl dihydrogen phosphate
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-19
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
7ZM3
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BU of 7zm3 by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC17
Descriptor: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, hexadecyl dihydrogen phosphate
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-19
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
7ZM2
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Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC8b
Descriptor: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-19
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
7ZM1
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BU of 7zm1 by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC7b
Descriptor: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-19
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
7UOC
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BU of 7uoc by Molmil
Crystal structure of Orobanche minor KAI2d4
Descriptor: CHLORIDE ION, KAI2d4
Authors:Burger, M, Chory, J.
Deposit date:2022-04-12
Release date:2023-04-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Divergent Clade KAI2 Protein in the Root Parasitic Plant Orobanche minor Is a Highly Sensitive Strigolactone Receptor and Is Involved in the Perception of Sesquiterpene Lactones.
Plant Cell.Physiol., 64, 2023

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PDB entries from 2024-04-17

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