5JX7
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![BU of 5jx7 by Molmil](/molmil-images/mine/5jx7) | Cysteine mutant (C224A) structure of As (III) S-adenosyl methyltransferase | Descriptor: | Arsenic methyltransferase, CALCIUM ION | Authors: | Packianathan, C, Marapakala, K, Ajees, A.A, Kandavelu, P, Sankaran, B, Rosen, B.P. | Deposit date: | 2016-05-12 | Release date: | 2017-05-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cysteine mutant (C224A) structure of As (III) S-adenosyl methyltransferase To be Published
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7JWX
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![BU of 7jwx by Molmil](/molmil-images/mine/7jwx) | Crystal Structure of Trypsin Bound O-methyl Benzamidine | Descriptor: | 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Packianathan, C, Laganowsky, A. | Deposit date: | 2020-08-26 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Small molecule peptidomimetic trypsin inhibitors: validation of an EKO binding mode, but with a twist. Org.Biomol.Chem., 20, 2022
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4RSR
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![BU of 4rsr by Molmil](/molmil-images/mine/4rsr) | ArsM arsenic(III) S-adenosylmethionine methyltransferase with trivalent phenyl arsencial derivative-Roxarsone | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-arsanyl-2-nitrophenol, Arsenic methyltransferase, ... | Authors: | Packianathan, C, Marapakala, K, Ajees, A.A, Kandavelu, P, Rosen, B.P. | Deposit date: | 2014-11-10 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A disulfide-bond cascade mechanism for arsenic(III) S-adenosylmethionine methyltransferase. Acta Crystallogr.,Sect.D, 71, 2015
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6CX6
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4KW7
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![BU of 4kw7 by Molmil](/molmil-images/mine/4kw7) | The structure of an As(III) S-adenosylmethionine methyltransferase with Phenylarsine oxide(PAO) | Descriptor: | Arsenic methyltransferase, CALCIUM ION, Phenylarsine oxide | Authors: | Packianathan, C, Marapakala, K, Ajees, A.A, Kandavelu, P, Rosen, B.P. | Deposit date: | 2013-05-23 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A disulfide-bond cascade mechanism for arsenic(III) S-adenosylmethionine methyltransferase. Acta Crystallogr.,Sect.D, 71, 2015
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5EG5
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5EVJ
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![BU of 5evj by Molmil](/molmil-images/mine/5evj) | X-ray crystal structure of CrArsM, an arsenic (III) S-adenosylmethionine methyltransferase from Chlamydomonas reinhardtii | Descriptor: | Arsenite methyltransferase, SODIUM ION | Authors: | Packianathan, C, Kandavelu, P, Sankaran, B, Rosen, B.P. | Deposit date: | 2015-11-19 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of CrArsM, an arsenic (III) S-adenosylmethionine methyltransferase from Chlamydomonas reinhardtii To Be Published
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3KXS
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2QLS
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![BU of 2qls by Molmil](/molmil-images/mine/2qls) | crystal structure of hemoglobin from dog (Canis familiaris) at 3.5 Angstrom resolution | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Packianathan, C, Sundaresan, S, Palani, K, Neeelagandan, K, Ponnuswamy, M.N. | Deposit date: | 2007-07-13 | Release date: | 2008-07-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Purification, Crystallization and Crystal structure analysis of hemoglobin from Dog (Canis familiaris) To be Published
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2QMB
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2A8X
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![BU of 2a8x by Molmil](/molmil-images/mine/2a8x) | Crystal Structure of Lipoamide Dehydrogenase from Mycobacterium tuberculosis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Rajashankar, K.R, Bryk, R, Kniewel, R, Buglino, J.A, Nathan, C.F, Lima, C.D. | Deposit date: | 2005-07-10 | Release date: | 2005-08-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure and functional analysis of lipoamide dehydrogenase from Mycobacterium tuberculosis J.Biol.Chem., 280, 2005
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1KNC
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![BU of 1knc by Molmil](/molmil-images/mine/1knc) | Structure of AhpD from Mycobacterium tuberculosis, a novel enzyme with thioredoxin-like activity. | Descriptor: | AhpD protein, SULFATE ION | Authors: | Bryk, R, Lima, C.D, Erdjument-Bromage, H, Tempst, P, Nathan, C. | Deposit date: | 2001-12-18 | Release date: | 2002-01-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metabolic enzymes of mycobacteria linked to antioxidant defense by a thioredoxin-like protein. Science, 295, 2002
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5TS0
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![BU of 5ts0 by Molmil](/molmil-images/mine/5ts0) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2208 | Descriptor: | (2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name), Proteasome subunit alpha, Proteasome subunit beta | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | Deposit date: | 2016-10-27 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.84679747 Å) | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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5TRS
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![BU of 5trs by Molmil](/molmil-images/mine/5trs) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2144 | Descriptor: | N-tert-butoxy-N~2~-(5-methyl-1,2-oxazole-3-carbonyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | Deposit date: | 2016-10-27 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.083567 Å) | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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5TRY
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![BU of 5try by Molmil](/molmil-images/mine/5try) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2206 | Descriptor: | (2~{S})-~{N}-[(2~{S})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide, Proteasome subunit alpha, Proteasome subunit beta | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | Deposit date: | 2016-10-27 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.000008 Å) | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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2FHG
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![BU of 2fhg by Molmil](/molmil-images/mine/2fhg) | Crystal Structure of Mycobacterial Tuberculosis Proteasome | Descriptor: | 20S proteasome, alpha and beta subunits, proteasome, ... | Authors: | Hu, G, Lin, G, Wang, M, Dick, L, Xu, R.M, Nathan, C, Li, H. | Deposit date: | 2005-12-23 | Release date: | 2006-02-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Structure of the Mycobacterium tuberculosis proteasome and mechanism of inhibition by a peptidyl boronate. Mol.Microbiol., 59, 2006
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5TRG
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![BU of 5trg by Molmil](/molmil-images/mine/5trg) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide DPLG-2 | Descriptor: | N,N-diethyl-N~2~-[(2E)-3-phenylprop-2-enoyl]-L-asparaginyl-4-fluoro-N-[(naphthalen-1-yl)methyl]-L-phenylalaninamide, Proteasome subunit alpha, Proteasome subunit beta | Authors: | Hsu, H.-C, Fan, H, Singh, R.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | Deposit date: | 2016-10-26 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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5TRR
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![BU of 5trr by Molmil](/molmil-images/mine/5trr) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2169 | Descriptor: | N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-N-[(naphthalen-1-yl)methyl]-L-alaninamide, Proteasome subunit alpha, Proteasome subunit beta | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | Deposit date: | 2016-10-27 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.103 Å) | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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4FS8
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![BU of 4fs8 by Molmil](/molmil-images/mine/4fs8) | The structure of an As(III) S-adenosylmethionine methyltransferase: insights into the mechanism of arsenic biotransformation | Descriptor: | Arsenic methyltransferase, CALCIUM ION | Authors: | Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P. | Deposit date: | 2012-06-27 | Release date: | 2012-07-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation. Biochemistry, 51, 2012
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2RAO
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![BU of 2rao by Molmil](/molmil-images/mine/2rao) | X ray crystal structure of rabbit hemoglobin (oxy form) at 2.0 angstrom resolution | Descriptor: | Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta-1/2, OXYGEN MOLECULE, ... | Authors: | Sundaresan, S, Packianathan, C, Neelagandan, K, Ponnuswamy, M.N. | Deposit date: | 2007-09-17 | Release date: | 2008-09-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystal structure determination of hemoglobin from rabbit at 2.0 angstrom resloution To be Published
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2R80
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![BU of 2r80 by Molmil](/molmil-images/mine/2r80) | Pigeon Hemoglobin (OXY form) | Descriptor: | Hemoglobin subunit alpha-A, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | Authors: | Ponnuswamy, M.N, Packianathan, C, Sundaresan, S, Neelagandan, K, Palani, K, Muller, J.J, Heinemann, U. | Deposit date: | 2007-09-10 | Release date: | 2008-09-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | X-ray crystal structure analysis of Hemolgobin from Pigeon (Columba Livia) at 1.44 angstrom To be Published
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4R6R
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![BU of 4r6r by Molmil](/molmil-images/mine/4r6r) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | Descriptor: | 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | Authors: | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | Deposit date: | 2014-08-26 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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4R6Q
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![BU of 4r6q by Molmil](/molmil-images/mine/4r6q) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | Descriptor: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | Authors: | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | Deposit date: | 2014-08-26 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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4R6O
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![BU of 4r6o by Molmil](/molmil-images/mine/4r6o) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | Descriptor: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | Authors: | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | Deposit date: | 2014-08-26 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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4R6P
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![BU of 4r6p by Molmil](/molmil-images/mine/4r6p) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | Descriptor: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | Authors: | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | Deposit date: | 2014-08-26 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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