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8E37
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BU of 8e37 by Molmil
Structure of Campylobacter concisus wild-type SeMet PglC
Descriptor: N,N'-diacetylbacilliosaminyl-1-phosphate transferase
Authors:Vuksanovic, N, Ray, L.C, Imperiali, B, Allen, K.N.
Deposit date:2022-08-16
Release date:2023-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Synergistic computational and experimental studies of a phosphoglycosyl transferase membrane/ligand ensemble.
J.Biol.Chem., 299, 2023
8EHV
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BU of 8ehv by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[DhA-GDPET(bAla)E]
Descriptor: Kelch-like ECH-associated protein 1, cyclic peptide c[DhA-GDPET(bAla)E
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-14
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Machine-learning analysis of molecular dynamics simulations to elucidate the effect of strain and preorganization on conformational modes of motion in cyclic peptides
To Be Published
8EJR
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BU of 8ejr by Molmil
Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-GDPETGE-NH2
Descriptor: Kelch-like ECH-associated protein 1, Linear peptide from Nuclear factor erythroid 2-related factor 2
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-18
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction
To Be Published
8EJS
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BU of 8ejs by Molmil
Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-(BAla)DPETGE-NH2
Descriptor: Kelch-like ECH-associated protein 1, Peptide from Nuclear factor erythroid 2-related factor 2
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-18
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction
To Be Published
8G1N
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BU of 8g1n by Molmil
Structure of Campylobacter concisus PglC I57M/Q175M Variant with modeled C-terminus
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, MAGNESIUM ION, N,N'-diacetylbacilliosaminyl-1-phosphate transferase, ...
Authors:Dodge, G.J, Ray, L.C, Das, D, Imperiali, B, Allen, K.N.
Deposit date:2023-02-02
Release date:2023-05-31
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Co-conserved sequence motifs are predictive of substrate specificity in a family of monotopic phosphoglycosyl transferases.
Protein Sci., 32, 2023
2YBD
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BU of 2ybd by Molmil
Crystal structure of probable had family hydrolase from pseudomonas fluorescens pf-5 with bound phosphate
Descriptor: HYDROLASE, HALOACID DEHALOGENASE-LIKE FAMILY, MAGNESIUM ION, ...
Authors:Vetting, M.W, Patskovsky, Y, Toro, R, Freeman, J, Miller, S, Sauder, J.M, Burley, S.K, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C.
Deposit date:2011-03-03
Release date:2011-03-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal Structure of Probable Had Family Hydrolase from Pseudomonas Fluorescens Pf-5 with Bound Phosphate
To be Published
1U7O
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BU of 1u7o by Molmil
Magnesium Dependent Phosphatase 1 (MDP-1)
Descriptor: ACETATE ION, magnesium-dependent phosphatase-1
Authors:Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily
Biochemistry, 43, 2004
1U7P
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BU of 1u7p by Molmil
X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Descriptor: MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1
Authors:Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Biochemistry, 43, 2004
6P2D
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BU of 6p2d by Molmil
Structure of mouse ketohexokinase-C in complex with fructose and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, beta-D-fructofuranose
Authors:Gasper, W.C, Allen, K.N, Tolan, D.R.
Deposit date:2019-05-21
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:First Crystal Structure of Mouse Ketohexokinase-C (KHK-C) Confirms Structural Similarity to Human KHK-C and Suggests Alternate Confirmation May Be Linked to Catalysis
To be published
6ALD
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BU of 6ald by Molmil
RABBIT MUSCLE ALDOLASE A/FRUCTOSE-1,6-BISPHOSPHATE COMPLEX
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-1,6-BIS(PHOSPHATE) ALDOLASE
Authors:Choi, K.H, Mazurkie, A.S, Morris, A.J, Utheza, D, Tolan, D.R, Allen, K.N.
Deposit date:1998-12-23
Release date:2000-01-05
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a fructose-1,6-bis(phosphate) aldolase liganded to its natural substrate in a cleavage-defective mutant at 2.3 A(,).
Biochemistry, 38, 1999
4DCC
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BU of 4dcc by Molmil
Crystal structure of had family enzyme bt-2542 from bacteroides thetaiotaomicron (target efi-501088)
Descriptor: CHLORIDE ION, Putative haloacid dehalogenase-like hydrolase, SODIUM ION, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-01-17
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088)
To be Published
4DWO
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BU of 4dwo by Molmil
Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II
Descriptor: GLYCEROL, Haloacid dehalogenase-like hydrolase, MAGNESIUM ION
Authors:Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-02-26
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II
To be Published
4E38
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BU of 4e38 by Molmil
Crystal structure of probable keto-hydroxyglutarate-aldolase from Vibrionales bacterium SWAT-3 (Target EFI-502156)
Descriptor: CHLORIDE ION, Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-03-09
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of probable keto-hydroxyglutarate-aldolase from Vibrionales bacterium SWAT-3 (Target EFI-502156)
To be Published
4DW8
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BU of 4dw8 by Molmil
Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I
Descriptor: Haloacid dehalogenase-like hydrolase, SODIUM ION, UNKNOWN LIGAND
Authors:Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-02-24
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I
To be Published
6C71
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BU of 6c71 by Molmil
Nicotine Oxidoreductase in Complex with S-nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2018-01-19
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme.
Biochemistry, 57, 2018
6CFS
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BU of 6cfs by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutation M186Q
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
6CFV
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BU of 6cfv by Molmil
Structure of Human alpha-Phosphomannomutase 1 in complex with Inosine Monophosphate
Descriptor: INOSINIC ACID, MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
4EEK
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BU of 4eek by Molmil
Crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET EFI-501256) With bound phosphate and sodium
Descriptor: Beta-phosphoglucomutase-related protein, PHOSPHATE ION, SODIUM ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-03-28
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of HAD HYDROLASE DR_1622 Deinococcus radiodurans R1 (TARGET EFI-501256)
To be Published
6CFT
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BU of 6cft by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutations R180T and R183I
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
4EEL
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BU of 4eel by Molmil
Crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET EFI-501256) with bound citrate and sodium
Descriptor: Beta-phosphoglucomutase-related protein, CITRIC ACID, SODIUM ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-03-28
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of HAD HYDROLASE DR_1622 Deinococcus radiodurans R1 (TARGET EFI-501256)
To be Published
4EEN
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BU of 4een by Molmil
crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET EFI-501256) with bound magnesium
Descriptor: Beta-phosphoglucomutase-related protein, CHLORIDE ION, MAGNESIUM ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-03-28
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of HAD HYDROLASE DR_1622 Deinococcus radiodurans R1 (TARGET EFI-501256)
To be Published
6CFR
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BU of 6cfr by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutation R183I
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
6CFU
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BU of 6cfu by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutations R180K and R183K
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
2OJR
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BU of 2ojr by Molmil
Structure of ubiquitin solved by SAD using the Lanthanide-Binding Tag
Descriptor: TERBIUM(III) ION, Ubiquitin
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-01-13
Release date:2007-06-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Double-Lanthanide-Binding Tags for Macromolecular Crystallographic Structure Determination.
J.Am.Chem.Soc., 129, 2007
2RB5
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BU of 2rb5 by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
Descriptor: MAGNESIUM ION, Putative uncharacterized protein, trioxido(oxo)tungsten
Authors:Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2007-09-18
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008

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