8C3T
 
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8AKK
 | | Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q) | | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
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8AKM
 | | Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q) | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
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8AKJ
 | | Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q) | | Descriptor: | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
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7DZ5
 | | Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii | | Descriptor: | D-sorbose, D-tagatose 3-epimerase, MAGNESIUM ION, ... | | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | | Deposit date: | 2021-01-23 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
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8EGZ
 | | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ... | | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | | Deposit date: | 2022-09-13 | | Release date: | 2023-10-04 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
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8EH0
 | | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide | | Descriptor: | 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | | Deposit date: | 2022-09-13 | | Release date: | 2023-10-04 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
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8EH1
 | | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline | | Descriptor: | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ... | | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | | Deposit date: | 2022-09-13 | | Release date: | 2023-10-04 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
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8EUO
 | | 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
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8FSD
 | | P130R mutant of soybean SHMT8 in complex with PLP-glycine and formylTHF | | Descriptor: | 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | | Authors: | Beamer, L.J, Korasick, D.A. | | Deposit date: | 2023-01-09 | | Release date: | 2023-10-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural and functional analysis of two SHMT8 variants associated with soybean cyst nematode resistance.
Febs J., 291, 2024
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8TIX
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates and crosslinked with EDC. | | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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8TIR
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates. | | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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8TIU
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates. | | Descriptor: | DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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8TIT
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and no terminal phosphates. | | Descriptor: | DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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8TIZ
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and no terminal phosphates and crosslinked with EDC. | | Descriptor: | DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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8TIW
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 3' terminal phosphates and crosslinked with EDC. | | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3', DNA (5'-D(*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*GP*A)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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8TJ0
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 5' terminal phosphates and crosslinked with EDC. | | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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8TIV
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 5' terminal phosphates and crosslinked with EDC. | | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(A*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*G)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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8TJ1
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates and crosslinked with EDC. | | Descriptor: | DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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8TIP
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 5' terminal phosphates. | | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(A*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*G)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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8TIY
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 3' terminal phosphates and crosslinked with EDC. | | Descriptor: | DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), DNA(5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-')|, MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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2I32
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7AYG
 | | oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ... | | Authors: | Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J. | | Deposit date: | 2020-11-12 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
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7B2E
 | | quadruple mutant of oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ... | | Authors: | Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J. | | Deposit date: | 2020-11-26 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
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7BJ3
 | | ScpA from Streptococcus pyogenes, S512A active site mutant | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ... | | Authors: | Kagawa, T.F, O'Connell, M.R, Cooney, J.C. | | Deposit date: | 2021-01-13 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Enzyme kinetic and binding studies identify determinants of specificity for the immunomodulatory enzyme ScpA, a C5a inactivating bacterial protease.
Comput Struct Biotechnol J, 19, 2021
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