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2GHD
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BU of 2ghd by Molmil
Conformational mobility in the active site of a heme peroxidase
Descriptor: CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.E.
Deposit date:2006-03-27
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational Mobility in the Active Site of a Heme Peroxidase.
J.Biol.Chem., 281, 2006
2GDQ
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BU of 2gdq by Molmil
Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution
Descriptor: yitF
Authors:Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Emtage, S, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Burley, S.K, Sali, A, Babbitt, P, Pieper, U, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-03-16
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution
To be Published
2GHK
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BU of 2ghk by Molmil
Conformational mobility in the active site of a heme peroxidase
Descriptor: CYANIDE ION, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.E.
Deposit date:2006-03-27
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Conformational Mobility in the Active Site of a Heme Peroxidase.
J.Biol.Chem., 281, 2006
2G02
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BU of 2g02 by Molmil
Nisin cyclase
Descriptor: Nisin biosynthesis protein nisC, ZINC ION
Authors:Nair, S.K.
Deposit date:2006-02-10
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Mechanism of the Lantibiotic Cyclase Involved in Nisin Biosynthesis
Science, 311, 2006
2G9K
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BU of 2g9k by Molmil
Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-2',3,3',4',5-Pentachlorobiphenyl
Descriptor: 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL, Transthyretin
Authors:Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
Deposit date:2006-03-06
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
2HDF
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BU of 2hdf by Molmil
Crystal structure of the Colicin I receptor Cir from E.coli
Descriptor: Colicin I receptor, N-OCTYL-2-HYDROXYETHYL SULFOXIDE, STRONTIUM ION
Authors:Buchanan, S.K, Esser, L, Lukacik, P.
Deposit date:2006-06-20
Release date:2007-05-08
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of colicin I receptor bound to the R-domain of colicin Ia: implications for protein import.
Embo J., 26, 2007
5BKE
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BU of 5bke by Molmil
Crystal structure of AAD-2 in complex with Mn(II) and N-oxalylglycine
Descriptor: Alpha-ketoglutarate-dependent 2,4-dichlorophenoxyacetate dioxygenase, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2019-06-02
Release date:2019-06-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
5BSW
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BU of 5bsw by Molmil
Crystal structure of 4-coumarate:CoA ligase delta-V341 mutant complexed with feruloyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BSM
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BU of 5bsm by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with magnesium and Adenosine triphosphate
Descriptor: 4-coumarate--CoA ligase 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BKB
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BU of 5bkb by Molmil
Crystal structure of AAD-1 in complex with (R)-dichlorprop, Mn(II), and 2-oxoglutarate
Descriptor: (2R)-2-(2,4-dichlorophenoxy)propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2019-06-02
Release date:2019-06-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.582 Å)
Cite:Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
5BKC
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BU of 5bkc by Molmil
Crystal structure of AAD-1 in complex with (R)-diclofop, Mn(II), and 2-oxoglutarate
Descriptor: (2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2019-06-02
Release date:2019-06-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
5BST
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BU of 5bst by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with coumaroyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine, MAGNESIUM ION
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
4EBF
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BU of 4ebf by Molmil
SeMet thermostable phosphite dehydrogenase Glu175-Ala mutant
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase
Authors:Zou, Y, Zhang, H, Nair, S.K.
Deposit date:2012-03-23
Release date:2012-05-30
Last modified:2012-06-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
5B74
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BU of 5b74 by Molmil
Crystal structure of conjoined Pyrococcus furiosus L-asparaginase with peptide
Descriptor: CHLORIDE ION, CITRATE ANION, L-asparaginase, ...
Authors:Sharma, P, Tomar, R, Nath, S.K, Kundu, B, Ashish, F.
Deposit date:2016-06-05
Release date:2017-06-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.039 Å)
Cite:Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property.
Sci Rep, 10, 2020
4EPA
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BU of 4epa by Molmil
The crystal structure of the ferric yersiniabactin uptake receptor FyuA from Yersinia pestis
Descriptor: LAURYL DIMETHYLAMINE-N-OXIDE, Pesticin receptor
Authors:Lukacik, P, Barnard, T.J, Buchanan, S.K.
Deposit date:2012-04-17
Release date:2012-06-20
Last modified:2012-07-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural engineering of a phage lysin that targets Gram-negative pathogens.
Proc.Natl.Acad.Sci.USA, 109, 2012
4CQL
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BU of 4cql by Molmil
Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD
Descriptor: CARBONYL REDUCTASE FAMILY MEMBER 4, ESTRADIOL 17-BETA-DEHYDROGENASE 8, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Venkatesan, R, Sah-Teli, S.K, Awoniyi, L.O, Jiang, G, Prus, P, Kastaniotis, A.J, Hiltunen, J.K, Wierenga, R.K, Chen, Z.
Deposit date:2014-02-19
Release date:2014-09-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Insights Into Mitochondrial Fatty Acid Synthesis from the Structure of Heterotetrameric 3-Ketoacyl-Acp Reductase/3R-Hydroxyacyl-Coa Dehydrogenase.
Nat.Commun., 5, 2014
4ETX
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BU of 4etx by Molmil
Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1
Descriptor: PelD
Authors:Li, Z, Chen, J, Nair, S.K.
Deposit date:2012-04-24
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1.
J.Biol.Chem., 287, 2012
4EUV
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BU of 4euv by Molmil
Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1, in complex with c-di-GMP, form 1
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), PelD
Authors:Li, Z, Chen, J, Nair, S.K.
Deposit date:2012-04-25
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1.
J.Biol.Chem., 287, 2012
4E5K
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BU of 4e5k by Molmil
Thermostable phosphite dehydrogenase in complex with NAD and sulfite
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Phosphite dehydrogenase (thermostable variant), SULFITE ION
Authors:Zou, Y, Zhang, H, Nair, S.K.
Deposit date:2012-03-14
Release date:2012-05-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4ETW
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BU of 4etw by Molmil
Structure of the Enzyme-ACP Substrate Gatekeeper Complex Required for Biotin Synthesis
Descriptor: Acyl carrier protein, Pimelyl-[acyl-carrier protein] methyl ester esterase, methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate
Authors:Agarwal, V, Nair, S.K.
Deposit date:2012-04-24
Release date:2012-10-17
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the enzyme-acyl carrier protein (ACP) substrate gatekeeper complex required for biotin synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E5N
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BU of 4e5n by Molmil
Thermostable phosphite dehydrogenase in complex with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase
Authors:Zou, Y, Zhang, H, Nair, S.K.
Deposit date:2012-03-14
Release date:2012-05-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4D8L
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BU of 4d8l by Molmil
Crystal structure of the 2-pyrone-4,6-dicarboxylic acid hydrolase from sphingomonas paucimobilis
Descriptor: 2-pyrone-4,6-dicarbaxylate hydrolase
Authors:Malashkevich, V.N, Toro, R, Bonanno, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2012-01-10
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation.
Biochemistry, 51, 2012
4E5M
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BU of 4e5m by Molmil
Thermostable phosphite dehydrogenase E175A/A176R in complex with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thermostable phosphite dehydrogenase
Authors:Zou, Y, Zhang, H, Nair, S.K.
Deposit date:2012-03-14
Release date:2012-05-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4EPI
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BU of 4epi by Molmil
The crystal structure of pesticin-T4 lysozyme hybrid stabilized by engineered disulfide bonds
Descriptor: Pesticin, Lysozyme Chimera, SODIUM ION, ...
Authors:Seddiki, N, Fairman, J.W, Noinaj, N, Lukacik, P, Barnard, T, Buchanan, S.K.
Deposit date:2012-04-17
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural engineering of a phage lysin that targets Gram-negative pathogens.
Proc.Natl.Acad.Sci.USA, 109, 2012
5DA3
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BU of 5da3 by Molmil
Crystal structure of PTK6 Kinase domain with inhibitor
Descriptor: (2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone, GLYCEROL, Protein-tyrosine kinase 6
Authors:Thakur, M.K, Birudukota, S, Swaminathan, S, Battula, S.K, Vadivelu, S, Tyagi, R, Gosu, R.
Deposit date:2015-08-19
Release date:2016-08-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Co-crystal structures of PTK6: With Dasatinib at 2.24 angstrom , with novel imidazo[1,2-a]pyrazin-8-amine derivative inhibitor at 1.70 angstrom resolution
Biochem. Biophys. Res. Commun., 482, 2017

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