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PDB: 181 results

8EEH
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BU of 8eeh by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to tryptamine
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEO
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BU of 8eeo by Molmil
C. ammoniagenes monoamine oxidase bound to cadaverine
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, PENTANE-1,5-DIAMINE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEF
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BU of 8eef by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to octopamine
Descriptor: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, Amine oxidase, ...
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEN
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BU of 8een by Molmil
C. ammoniagenes monoamine oxidase (MAO) C424S variant
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEI
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BU of 8eei by Molmil
Unbound C. ammoniagenes monoamine oxidase (MAO)
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEJ
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BU of 8eej by Molmil
C. ammoniagenes monoamine oxidase (MAO) C424S variant bound to dopamine
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, L-DOPAMINE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEK
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BU of 8eek by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to tyramine
Descriptor: 4-(2-aminoethyl)phenol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEL
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BU of 8eel by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to 5-aminopentanol
Descriptor: 5-aminopentan-1-ol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 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
Last modified:2024-10-16
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
2FUC
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BU of 2fuc by Molmil
Human alpha-Phosphomannomutase 1 with Mg2+ cofactor bound
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2006-01-26
Release date:2006-03-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
J.Biol.Chem., 281, 2006
2ILP
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BU of 2ilp by Molmil
Clostridium botulinum Serotype A Light Chain inhibited by 4-chlorocinnamic hydroxamate
Descriptor: (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, PHOSPHATE ION, ...
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-03
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMB
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BU of 2imb by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by L-arginine hydroxamate
Descriptor: Botulinum neurotoxin A light-chain, N-HYDROXY-L-ARGININAMIDE, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMA
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BU of 2ima by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by 2,4-dichlorocinnamic hydroxamate
Descriptor: (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMC
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BU of 2imc by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain, Residues 1-424
Descriptor: Botulinum neurotoxin A light-chain, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2FUE
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BU of 2fue by Molmil
Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound
Descriptor: 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1
Authors:Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2006-01-26
Release date:2006-03-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
J.Biol.Chem., 281, 2006
1SN9
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BU of 1sn9 by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
Descriptor: tetrameric beta-beta-alpha mini-protein
Authors:Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
Deposit date:2004-03-10
Release date:2004-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture
Proc.Natl.Acad.Sci.USA, 101, 2004
1SNA
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BU of 1sna by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
Descriptor: ISOPROPYL ALCOHOL, tetrameric beta-beta-alpha mini-protein
Authors:Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
Deposit date:2004-03-10
Release date:2004-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1SNE
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BU of 1sne by Molmil
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
Descriptor: ISOPROPYL ALCOHOL, tetrameric beta-beta-alpha mini-protein
Authors:Ali, M.H, Peisach, E, Allen, K.N, Imperiali, B.
Deposit date:2004-03-10
Release date:2004-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture.
Proc.Natl.Acad.Sci.Usa, 101, 2004
4EZE
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BU of 4eze by Molmil
Crystal structure of had family hydrolase t0658 from Salmonella enterica subsp. enterica serovar Typhi (Target EFI-501419)
Descriptor: CHLORIDE ION, 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:2012-05-02
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of had hydrolase t0658 from Salmonella enterica (Target EFI-501419)
To be Published
4G9B
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BU of 4g9b by Molmil
Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid
Descriptor: Beta-phosphoglucomutase, CHLORIDE ION, GLYCEROL, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-07-23
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid
To be Published
1SWV
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BU of 1swv by Molmil
Crystal structure of the D12A mutant of phosphonoacetaldehyde hydrolase complexed with magnesium
Descriptor: MAGNESIUM ION, phosphonoacetaldehyde hydrolase
Authors:Zhang, G, Morais, M.C, Dai, J, Zhang, W, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-03-30
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Investigation of metal ion binding in phosphonoacetaldehyde hydrolase identifies sequence markers for metal-activated enzymes of the HAD enzyme superfamily
Biochemistry, 43, 2004
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
1RQL
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BU of 1rql by Molmil
Crystal Structure of Phosponoacetaldehyde Hydrolase Complexed with Magnesium and the Inhibitor Vinyl Sulfonate
Descriptor: MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase, VINYLSULPHONIC ACID
Authors:Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-12-05
Release date:2004-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystallographic and site-directed mutagenesis analysis of the mechanism of Schiff-base formation in phosphonoacetaldehyde hydrolase catalysis
J.Biol.Chem., 279, 2004

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PDB entries from 2024-10-30

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