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1F1M
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BU of 1f1m by Molmil
CRYSTAL STRUCTURE OF OUTER SURFACE PROTEIN C (OSPC)
Descriptor: OUTER SURFACE PROTEIN C, ZINC ION
Authors:Kumaran, D, Eswaramoorthy, S, Dunn, J.J, Swaminathan, S.
Deposit date:2000-05-19
Release date:2001-04-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of outer surface protein C (OspC) from the Lyme disease spirochete, Borrelia burgdorferi.
EMBO J., 20, 2001
8SG6
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BU of 8sg6 by Molmil
SARS-CoV-2 Main Protease (Mpro) H163A Mutant Reduced with 20mM TCEP
Descriptor: 3C-like proteinase nsp5, GLYCEROL
Authors:Tran, N, McLeod, M.J, Barwell, S, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T.
Deposit date:2023-04-11
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease.
Nat Commun, 14, 2023
5YJI
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BU of 5yji by Molmil
Co-crystal structure of Mouse Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide
Descriptor: 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R.
Deposit date:2017-10-10
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
5YJF
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BU of 5yjf by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide
Descriptor: 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R.
Deposit date:2017-10-10
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
4E3E
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BU of 4e3e by Molmil
CRYSTAL STRUCTURE OF putative MaoC domain protein dehydratase from Chloroflexus aurantiacus J-10-fl
Descriptor: MaoC domain protein dehydratase, SULFATE ION
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-09
Release date:2012-03-21
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:CRYSTAL STRUCTURE OF putative MaoC domain protein dehydratase from Chloroflexus aurantiacus J-10-fl
To be Published
4E4G
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BU of 4e4g by Molmil
Crystal structure of putative Methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021
Descriptor: Methylmalonate-semialdehyde dehydrogenase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-12
Release date:2012-03-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of putative Methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021
To be Published
4E6M
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Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-15
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium)
To be Published
4F3X
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BU of 4f3x by Molmil
Crystal structure of putative aldehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative aldehyde dehydrogenase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-05-09
Release date:2012-05-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of putative aldehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD
To be Published
4HL9
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BU of 4hl9 by Molmil
Crystal structure of antibiotic biosynthesis monooxygenase
Descriptor: Antibiotic biosynthesis monooxygenase
Authors:Rice, S, Eswaramoorthy, S, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-16
Release date:2012-10-31
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of antibiotic biosynthesis monooxygenase
To be Published
4HUJ
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BU of 4huj by Molmil
Crystal structure of a hypothetical protein SMa0349 from Sinorhizobium meliloti
Descriptor: Uncharacterized protein
Authors:Rice, S, Eswaramoorthy, S, Chamala, S, Evans, B, Foti, F, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-11-02
Release date:2012-12-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of a hypothetical protein SMa0349 from Sinorhizobium meliloti
To be Published
4IYM
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BU of 4iym by Molmil
Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934
Descriptor: MAGNESIUM ION, Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-01-28
Release date:2013-04-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934
To be Published
6T6F
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BU of 6t6f by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 8 (CS275)
Descriptor: 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D
Authors:Sorrell, F, Kraemer, A, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-18
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:CAMK1D bound to CS275
To Be Published
4IX1
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BU of 4ix1 by Molmil
Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205
Descriptor: PHOSPHATE ION, hypothetical protein
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-01-24
Release date:2013-02-06
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205
To be Published
4JKS
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BU of 4jks by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with DMSO, NYSGRC Target 14306
Descriptor: ADENOSINE, DIMETHYL SULFOXIDE, Probable sugar kinase protein
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-11
Release date:2013-03-27
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with DMSO, NYSGRC Target 14306
To be Published
4WR2
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BU of 4wr2 by Molmil
Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
Descriptor: CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA
Authors:Himmel, D.M, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-10-22
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
To be published
4J6F
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BU of 4j6f by Molmil
Crystal structure of putative alcohol dehydrogenase from Sinorhizobium meliloti 1021, NYSGRC-Target 012230
Descriptor: CHLORIDE ION, GLYCEROL, Putative alcohol dehydrogenase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-02-11
Release date:2013-03-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of putative alcohol dehydrogenase from Sinorhizobium meliloti 1021, NYSGRC-Target 012230
To be Published
4HAD
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BU of 4had by Molmil
Crystal structure of probable oxidoreductase protein from Rhizobium etli CFN 42
Descriptor: Probable oxidoreductase protein, SODIUM ION
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-09-26
Release date:2012-10-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of probable oxidoreductase protein from Rhizobium etli CFN 42
To be Published
4K9C
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BU of 4k9c by Molmil
CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE and 4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID
Descriptor: 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid, ADENOSINE, DIMETHYL SULFOXIDE, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-04-19
Release date:2013-05-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE and 4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID
To be Published
4JKU
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BU of 4jku by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinaldic acid, NYSGRC Target 14306
Descriptor: ADENOSINE, DIMETHYL SULFOXIDE, Probable sugar kinase protein, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-11
Release date:2013-03-27
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinaldic acid, NYSGRC Target 14306
To be Published
4KAH
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BU of 4kah by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 4-bromo-1H-pyrazole
Descriptor: 4-bromo-1H-pyrazole, ADENOSINE, BROMIDE ION, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-04-22
Release date:2013-05-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 4-bromo-1H-pyrazole
To be Published
4GWB
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BU of 4gwb by Molmil
Crystal structure of putative Peptide methionine sulfoxide reductase from Sinorhizobium meliloti 1021
Descriptor: CALCIUM ION, CHLORIDE ION, Peptide methionine sulfoxide reductase MsrA 3
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-09-01
Release date:2012-09-19
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of putative Peptide methionine sulfoxide reductase from Sinorhizobium meliloti 1021
To be Published
4K8K
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Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2-aminoperimidine
Descriptor: 1-(4-methoxyphenyl)cyclopropanecarboxylic acid, 1H-perimidin-2-amine, ADENOSINE, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-04-18
Release date:2013-05-01
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2-aminoperimidine
To be Published
4K8C
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BU of 4k8c by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with ADP
Descriptor: ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-04-18
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with ADP
To be Published
4K93
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CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE
Descriptor: ADENOSINE, DIMETHYL SULFOXIDE, N-(hydroxymethyl)benzamide, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-04-19
Release date:2013-05-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE
To be Published
4KBE
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Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with benzoguanamine
Descriptor: 6-phenyl-1,3,5-triazine-2,4-diamine, ADENOSINE, DIMETHYL SULFOXIDE, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-04-23
Release date:2013-05-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with benzoguanamine
To be Published

222624

数据于2024-07-17公开中

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