3AF1
 
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GDP | | Descriptor: | CHLORIDE ION, CITRATE ANION, GLYCEROL, ... | | Authors: | Chetnani, B, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2010-02-19 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations
J.Mol.Biol., 400, 2010
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3AVO
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenate | | Descriptor: | CITRATE ANION, GLYCEROL, PANTOTHENOIC ACID, ... | | Authors: | Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M. | | Deposit date: | 2011-03-06 | | Release date: | 2011-08-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
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3AVQ
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with N9-Pan | | Descriptor: | (2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide, CITRATE ANION, GLYCEROL, ... | | Authors: | Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M. | | Deposit date: | 2011-03-06 | | Release date: | 2011-08-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
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2PEL
 | | PEANUT LECTIN | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PEANUT LECTIN, ... | | Authors: | Banerjee, R, Das, K, Ravishankar, R, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 1995-08-23 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Conformation, protein-carbohydrate interactions and a novel subunit association in the refined structure of peanut lectin-lactose complex.
J.Mol.Biol., 259, 1996
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2ZSA
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP and Phosphopantothenate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2008-09-04 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
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2ZSD
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Coenzyme A | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ... | | Authors: | Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2008-09-05 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
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2ZS7
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with citrate anion | | Descriptor: | CITRATE ANION, GLYCEROL, Pantothenate kinase, ... | | Authors: | Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2008-09-03 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
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3AVP
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenol | | Descriptor: | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide, CITRATE ANION, GLYCEROL, ... | | Authors: | Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M. | | Deposit date: | 2011-03-06 | | Release date: | 2011-08-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
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1UH1
 | | Crystal structure of jacalin- GalNAc-beta(1-3)-Gal-alpha-O-Me complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-methyl alpha-D-galactopyranoside, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | | Authors: | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | | Deposit date: | 2003-06-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
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1UGW
 | | Crystal structure of jacalin- Gal complex | | Descriptor: | Agglutinin alpha chain, Agglutinin alpha-chain, Agglutinin beta-3 chain, ... | | Authors: | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | | Deposit date: | 2003-06-22 | | Release date: | 2003-09-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
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1UH0
 | | Crystal structure of jacalin- Me-alpha-GalNAc complex | | Descriptor: | Agglutinin alpha chain, Agglutinin beta-3 chain, methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside | | Authors: | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | | Deposit date: | 2003-06-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
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1UGY
 | | Crystal structure of jacalin- mellibiose (Gal-alpha(1-6)-Glc) complex | | Descriptor: | Agglutinin alpha chain, Agglutinin beta-3 chain, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose, ... | | Authors: | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | | Deposit date: | 2003-06-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
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1UGX
 | | Crystal structure of jacalin- Me-alpha-T-antigen (Gal-beta(1-3)-GalNAc-alpha-o-Me) complex | | Descriptor: | Agglutinin alpha chain, Agglutinin beta-3 chain, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside | | Authors: | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | | Deposit date: | 2003-06-22 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
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1UH5
 | | Crystal Structure of Enoyl-ACP Reductase with Triclosan at 2.2angstroms | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN, enoyl-ACP reductase | | Authors: | Swarnamukhi, P.L, Kapoor, M, Surolia, N, Surolia, A, Suguna, K. | | Deposit date: | 2003-06-24 | | Release date: | 2004-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the variation in triclosan affinity to enoyl reductases.
J.Mol.Biol., 343, 2004
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1V6O
 | | Peanut lectin complexed with 10mer peptide (PVRIWSSATG) | | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION | | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 2003-12-02 | | Release date: | 2004-02-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
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5OVN
 | | Crystal Structure of FIV Reverse Transcriptase | | Descriptor: | POL protein | | Authors: | Galilee, M, Alian, A. | | Deposit date: | 2017-08-29 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.942 Å) | | Cite: | The structure of FIV reverse transcriptase and its implications for non-nucleoside inhibitor resistance.
PLoS Pathog., 14, 2018
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1V35
 | | Crystal Structure of Eoyl-ACP Reductase with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, enoyl-ACP reductase | | Authors: | SwarnaMukhi, P.L, Kapoor, M, surolia, N, Surolia, A, Suguna, K. | | Deposit date: | 2003-10-28 | | Release date: | 2004-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the variation in triclosan affinity to enoyl reductases.
J.Mol.Biol., 343, 2004
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1V6N
 | | Peanut lectin with 9mer peptide (PVIWSSATG) | | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION | | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 2003-12-02 | | Release date: | 2004-02-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
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1V6M
 | | Peanut Lectin with 9mer peptide (IWSSAGNVA) | | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION | | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 2003-12-02 | | Release date: | 2004-02-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
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5DCK
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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1ZHG
 | | Crystal structure of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum | | Descriptor: | beta hydroxyacyl-acyl carrier protein dehydratase | | Authors: | Swarnamukhi, P.L, Sharma, S.K, Surolia, N, Surolia, A, Suguna, K. | | Deposit date: | 2005-04-25 | | Release date: | 2006-05-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of dimeric FabZ of Plasmodium falciparum reveals conformational switching to active hexamers by peptide flips
Febs Lett., 580, 2006
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2G88
 | | MSRECA-dATP COMPLEX | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ... | | Authors: | Krishna, R, Manjunath, G.P, Kumar, P, Surolia, A, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2006-03-02 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystallographic identification of an ordered C-terminal domain and a second nucleotide-binding site in RecA: new insights into allostery.
Nucleic Acids Res., 34, 2006
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2OKH
 | | Crystal structure of dimeric form of PfFabZ in crystal form3 | | Descriptor: | Beta-hydroxyacyl-ACP dehydratase | | Authors: | Swarnamukhi, P.L, Sharma, S.K, Padala, P, Surolia, N, Surolia, A, Suguna, K. | | Deposit date: | 2007-01-16 | | Release date: | 2007-04-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Packing and loop-structure variations in non-isomorphous crystals of FabZ from Plasmodium falciparum
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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5EU7
 | | Crystal structure of HIV-1 integrase catalytic core in complex with Fab | | Descriptor: | FAB Heavy Chain, FAB light chain, Integrase | | Authors: | Galilee, M, Griner, S.L, Stroud, R.M, Alian, A. | | Deposit date: | 2015-11-18 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | The Preserved HTH-Docking Cleft of HIV-1 Integrase Is Functionally Critical.
Structure, 24, 2016
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