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7RYT
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BU of 7ryt by Molmil
Crystal structure of Mycobacterium tuberculosis acetylated Homoserine transacetylase with Coenzyme A
Descriptor: COENZYME A, DI(HYDROXYETHYL)ETHER, Homoserine O-acetyltransferase, ...
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2021-08-26
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
7PCW
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BU of 7pcw by Molmil
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-M175W LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
Deposit date:2021-08-04
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineered HaloTag variants for fluorescence lifetime multiplexing.
Nat.Methods, 19, 2022
7PCX
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BU of 7pcx by Molmil
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165W LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
Deposit date:2021-08-04
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineered HaloTag variants for fluorescence lifetime multiplexing.
Nat.Methods, 19, 2022
7P4K
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BU of 7p4k by Molmil
Soluble epoxide hydrolase in complex with FL217
Descriptor: Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
Authors:Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
7F5W
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BU of 7f5w by Molmil
Conserved and divergent strigolactone signaling in Saccharum spontaneum
Descriptor: High tillering and dwarf 2 protein
Authors:Zhao, Q.Q, Ming, Z.H.
Deposit date:2021-06-23
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.654 Å)
Cite:Identification of Conserved and Divergent Strigolactone Receptors in Sugarcane Reveals a Key Residue Crucial for Plant Branching Control.
Front Plant Sci, 12, 2021
7OTS
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BU of 7ots by Molmil
Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside
Descriptor: GLYCEROL, Monoacylglycerol lipase ABHD6, OLEIC ACID, ...
Authors:Nawrotek, A, Talagas, A, Vuillard, L, Miallau, L.
Deposit date:2021-06-10
Release date:2021-06-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside
To Be Published
7OO4
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BU of 7oo4 by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
Descriptor: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase
Authors:Stein, A, Liang, A.D.
Deposit date:2021-05-26
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
7OND
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BU of 7ond by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
Descriptor: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Stein, A, Liang, A.D.
Deposit date:2021-05-25
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
7OMO
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BU of 7omo by Molmil
Crystal structure of coelenteramine-bound Renilla reniformis luciferase RLuc8-D120A variant
Descriptor: 4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Schenkmayerova, A, Marek, M.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OMR
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BU of 7omr by Molmil
Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A variant
Descriptor: Coelenterazine h 2-monooxygenase, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
Authors:Schenkmayerova, A, Marek, M.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OMD
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BU of 7omd by Molmil
Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A
Descriptor: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ...
Authors:Schenkmayerova, A, Janin, Y.L, Marek, M.
Deposit date:2021-05-21
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OKZ
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BU of 7okz by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL- QUINOLIN-4(1H)-ONE UNDER HYPEROXIC CONDITIONS
Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2021-05-18
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
7OJM
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BU of 7ojm by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS
Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2021-05-16
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
7O8B
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BU of 7o8b by Molmil
Structure of haloalkane dehalogenase variant DhaA80 from Rhodococcus rhodochrous
Descriptor: Haloalkane dehalogenase, methyl sulfate
Authors:Shaposhnikova, A, Prudnikova, T, Kuta Smatanova, I.
Deposit date:2021-04-15
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids
Crystals, 11, 2021
7O3O
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BU of 7o3o by Molmil
Structure of haloalkane dehalogenase mutant DhaA80(T148L, G171Q, A172V, C176F) from Rhodococcus rhodochrous with ionic liquid
Descriptor: CHLORIDE ION, ETHANOLAMINE, Haloalkane dehalogenase
Authors:Shaposhnikova, A, Prudnikova, T, Kuta Smatanova, I.
Deposit date:2021-04-02
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids
Crystals, 11, 2021
7M7C
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BU of 7m7c by Molmil
Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine)
Descriptor: Carboxylesterase A
Authors:Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D.
Deposit date:2021-03-27
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c)
To Be Published
5BKM
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BU of 5bkm by Molmil
Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine)
Descriptor: Carboxylesterase A
Authors:Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D.
Deposit date:2021-03-20
Release date:2022-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine)
To Be Published
7EBA
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BU of 7eba by Molmil
Co-crystal of kurarinone with sEH
Descriptor: (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one, Bifunctional epoxide hydrolase 2
Authors:Sun, C.P, Ma, X.C.
Deposit date:2021-03-09
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Kurarinone alleviated Parkinson's disease via stabilization of epoxyeicosatrienoic acids in animal model.
Proc.Natl.Acad.Sci.USA, 119, 2022
7NFZ
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BU of 7nfz by Molmil
Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium japonicum UT26
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ...
Authors:Marek, M.
Deposit date:2021-02-08
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium japonicum UT26
To Be Published
7LD8
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BU of 7ld8 by Molmil
Crystal Structure of Putative non-heme bromoperoxidase BpoC from Mycobacterium tuberculosis H37Rv
Descriptor: 1,2-ETHANEDIOL, Putative non-heme bromoperoxidase BpoC, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-01-12
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Putative non-heme bromoperoxidase BpoC from Mycobacterium tuberculosis H37Rv
to be published
7AL5
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BU of 7al5 by Molmil
Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2020-10-05
Release date:2020-11-11
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
To Be Published
7AL6
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BU of 7al6 by Molmil
Crystal structure of the hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Probable hydrolase, ...
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2020-10-05
Release date:2020-10-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
To Be Published
7D79
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BU of 7d79 by Molmil
The structure of DcsB complex with its substrate analogue
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
Authors:Tang, Y, Zhou, J.H, Wang, G.Q.
Deposit date:2020-10-03
Release date:2021-01-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.10411429 Å)
Cite:A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
7D78
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BU of 7d78 by Molmil
The structure of thioesterase DcsB
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
Authors:Tang, Y, Zhou, J.H, Wang, G.Q.
Deposit date:2020-10-03
Release date:2021-01-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.96543121 Å)
Cite:A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
7AC0
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BU of 7ac0 by Molmil
Epoxide hydrolase CorEH without ligand
Descriptor: Soluble epoxide hydrolase
Authors:Palm, G.J, Lammers, M, Berndt, L.
Deposit date:2020-09-09
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:Promiscuous Dehalogenase Activity of the Epoxide Hydrolase CorEH from Corynebacterium sp. C12
Acs Catalysis, 11, 2021

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