4ZDD
 
 | | Structure of yeast D3,D2-enoyl-CoA isomerase bound to sulphate ion | | Descriptor: | 3,2-trans-enoyl-CoA isomerase, SULFATE ION | | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | | Deposit date: | 2015-04-17 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
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6WA0
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6W9Y
 | | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain proMP 1.2 | | Authors: | Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
To Be Published
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4ZDE
 | | Crystal structure of yeast D3,D2-enoyl-CoA isomerase F268A mutant | | Descriptor: | 3,2-trans-enoyl-CoA isomerase, GLYCEROL, SULFATE ION | | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | | Deposit date: | 2015-04-17 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
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6W9Z
 | | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain ProMP C2.1 | | Authors: | Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
To Be Published
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4ZRC
 | | Crystal structure of MSM-13, a putative T1-like thiolase from Mycobacterium smegmatis | | Descriptor: | Beta-ketothiolase | | Authors: | Janardan, N, Harijan, R.K, Keima, T.R, Wierenga, R, Murthy, M.R.N. | | Deposit date: | 2015-05-12 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural characterization of a mitochondrial 3-ketoacyl-CoA (T1)-like thiolase from Mycobacterium smegmatis
Acta Crystallogr.,Sect.D, 71, 2015
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4ZDC
 | | Yeast enoyl-CoA isomerase complexed with octanoyl-CoA | | Descriptor: | 3,2-trans-enoyl-CoA isomerase, GLYCEROL, OCTANOYL-COENZYME A, ... | | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | | Deposit date: | 2015-04-17 | | Release date: | 2015-11-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
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4ZDB
 | | Yeast enoyl-CoA isomerase (ScECI2) complexed with acetoacetyl-CoA | | Descriptor: | 3,2-trans-enoyl-CoA isomerase, ACETOACETYL-COENZYME A, GLYCEROL, ... | | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | | Deposit date: | 2015-04-17 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
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3PH9
 | | Crystal structure of the human anterior gradient protein 3 | | Descriptor: | Anterior gradient protein 3 homolog | | Authors: | Nguyen, V.D, Ruddock, L.W, Salin, M, Wierenga, R.K. | | Deposit date: | 2010-11-03 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of human anterior gradient protein 3.
Acta Crystallogr.,Sect.F, 74, 2018
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5HUS
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3MV8
 | | Crystal Structure of the TK3-Gln55His TCR in complex with HLA-B*3501/HPVG | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | Authors: | Gras, S, Chen, Z, Miles, J.J, Liu, Y.C, Bell, M.J, Sullivan, L.C, Kjer-Nielsen, L, Brennan, R.M, Burrows, J.M, Neller, M.A, Khanna, R, Purcell, A.W, Brooks, A.G, McCluskey, J, Rossjohn, J, Burrows, S.R. | | Deposit date: | 2010-05-03 | | Release date: | 2010-06-09 | | Last modified: | 2011-07-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Allelic polymorphism in the T cell receptor and its impact on immune responses
J.Exp.Med., 207, 2010
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8OPX
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Trehalose (Fragment-B-TRE) | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION, ... | | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | Deposit date: | 2023-04-10 | | Release date: | 2024-01-24 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
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8OQT
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8OQQ
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-79 | | Descriptor: | 2-fluoranyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ... | | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | Deposit date: | 2023-04-12 | | Release date: | 2024-01-24 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
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8OPU
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Sulfamethoxazole (Fragment-B-E1) | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... | | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | Deposit date: | 2023-04-10 | | Release date: | 2024-01-24 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
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8OPW
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Caffeine (Fragment-B-51) | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, CAFFEINE, GLYCEROL, ... | | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | Deposit date: | 2023-04-10 | | Release date: | 2024-01-24 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
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8OPY
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 6,7-DINITROQUINOXALINE-2,3-DIONE, GLYCEROL, ... | | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | Deposit date: | 2023-04-10 | | Release date: | 2024-01-24 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
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8OQV
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-109 | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 4-nitrobenzenesulfonic acid, GLYCEROL, ... | | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | Deposit date: | 2023-04-12 | | Release date: | 2024-01-24 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
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8OPV
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Resveratrol (Fragment-B-H11) | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... | | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | Deposit date: | 2023-04-10 | | Release date: | 2024-01-24 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
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3MV7
 | | Crystal Structure of the TK3 TCR in complex with HLA-B*3501/HPVG | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | Authors: | Gras, S, Chen, Z, Miles, J.J, Liu, Y.C, Bell, M.J, Sullivan, L.C, Kjer-Nielsen, L, Brennan, R.M, Burrows, J.M, Neller, M.A, Khanna, R, Purcell, A.W, Brooks, A.G, McCluskey, J, Rossjohn, J, Burrows, S.R. | | Deposit date: | 2010-05-03 | | Release date: | 2010-06-09 | | Last modified: | 2011-07-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Allelic polymorphism in the T cell receptor and its impact on immune responses
J.Exp.Med., 207, 2010
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5F0V
 | | X-ray crystal structure of a thiolase from Escherichia coli at 1.8 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Acetyl-CoA acetyltransferase | | Authors: | Ithayaraja, M, Neelanjana, J, Wierenga, R, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2015-11-28 | | Release date: | 2016-07-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a thiolase from Escherichia coli at 1.8 angstrom resolution.
Acta Crystallogr.,Sect.F, 72, 2016
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5F38
 | | X-ray crystal structure of a thiolase from Escherichia coli at 1.8 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Acetyl-CoA acetyltransferase, COENZYME A, ... | | Authors: | Ithayaraja, M, Neelanjana, J, Wierenga, R, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2015-12-02 | | Release date: | 2016-07-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a thiolase from Escherichia coli at 1.8 angstrom resolution.
Acta Crystallogr.,Sect.F, 72, 2016
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5AB6
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4C2J
 | | Crystal structure of human mitochondrial 3-ketoacyl-CoA thiolase in complex with CoA | | Descriptor: | 1,2-ETHANEDIOL, 3-KETOACYL-COA THIOLASE, MITOCHONDRIAL, ... | | Authors: | Kiema, T.-R, Harijan, R.K, Wierenga, R.K. | | Deposit date: | 2013-08-19 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of Human Mitochondrial 3-Ketoacyl-Coa Thiolase (T1): Insight Into the Reaction Mechanism of its Thiolase and Thioesterase Activities
Acta Crystallogr.,Sect.D, 70, 2014
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8QAC
 | | X-ray crystal structure of a de novo designed antiparallel coiled-coil 8-helix bundle with 4 heptad repeats, antiparallel 8-helix bundle-GLIA | | Descriptor: | antiparallel 8-helix bundle-GLIA | | Authors: | Albanese, K.I, Dawson, W.M, Petrenas, R, Woolfson, D.N. | | Deposit date: | 2023-08-22 | | Release date: | 2024-07-03 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
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