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6R5P
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BU of 6r5p by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with glucose
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5U
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BU of 6r5u by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant from P. aeruginosa in complex with laminaritriose
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5V
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BU of 6r5v by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with xylotriose
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
5G3R
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BU of 5g3r by Molmil
Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc
Descriptor: 2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, ...
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-04-30
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5YJP
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BU of 5yjp by Molmil
Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ...
Authors:Sugawara, H.
Deposit date:2017-10-11
Release date:2017-12-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Bioorg. Med. Chem. Lett., 28, 2018
5YJM
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BU of 5yjm by Molmil
Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ...
Authors:Sugawara, H.
Deposit date:2017-10-11
Release date:2017-12-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Bioorg. Med. Chem. Lett., 28, 2018
1UF4
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BU of 1uf4 by Molmil
Crystal structure of C171A/V236A Mutant of N-carbamyl-D-amino acid amidohydrolase
Descriptor: N-carbamyl-D-amino acid amidohydrolase
Authors:Hashimoto, H, Aoki, M, Shimizu, T, Nakai, T, Morikawa, H, Ikenaka, Y, Takahashi, S, Sato, M.
Deposit date:2003-05-23
Release date:2004-06-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of C171A/V236A Mutant of N-carbamyl-D-amino acid
To be published
8JT7
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BU of 8jt7 by Molmil
Structure of arginine oxidase from Pseudomonas sp. TRU 7192
Descriptor: Amine oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Yamaguchi, H, Numoto, N, Suzuki, H, Nishikawa, K, Kamegawa, A, Takahashi, K, Sugiki, M, Fujiyoshi, Y.
Deposit date:2023-06-21
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Structural basis of arginine oxidase from Pseudomonas sp. TRU 7192
To Be Published
1UF7
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Crystal structure of C171A/V236A Mutant of N-carbamyl-D-amino acid amidohydrolase complexed with N-carbamyl-D-valine
Descriptor: 3-METHYL-2-UREIDO-BUTYRIC ACID, N-carbamyl-D-amino acid amidohydrolase
Authors:Hashimoto, H, Aoki, M, Shimizu, T, Nakai, T, Morikawa, H, Ikenaka, Y, Takahashi, S, Sato, M.
Deposit date:2003-05-26
Release date:2004-06-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of C171A/V236A Mutant of N-carbamyl-D-amino acid amidohydrolase
To be published
1A0F
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BU of 1a0f by Molmil
CRYSTAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE FROM ESCHERICHIA COLI COMPLEXED WITH GLUTATHIONESULFONIC ACID
Descriptor: GLUTATHIONE S-TRANSFERASE, GLUTATHIONE SULFONIC ACID
Authors:Nishida, M, Harada, S, Noguchi, S, Inoue, H, Takahashi, K, Satow, Y.
Deposit date:1997-11-29
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional structure of Escherichia coli glutathione S-transferase complexed with glutathione sulfonate: catalytic roles of Cys10 and His106.
J.Mol.Biol., 281, 1998
1UHG
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BU of 1uhg by Molmil
Crystal Structure of S-Ovalbumin At 1.9 Angstrom Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ovalbumin, ...
Authors:Yamasaki, M, Takahashi, N, Hirose, M.
Deposit date:2003-07-03
Release date:2003-07-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of S-ovalbumin as a Non-loop-inserted Thermostabilized Serpin Form
J.Biol.Chem., 278, 2003
1UJ8
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BU of 1uj8 by Molmil
Structures of ORF3 in Two Crystal Forms, a Member of Isc Machinery of E. coli Involved in the Assembly of Iron-Sulfur Clusters
Descriptor: Hypothetical protein yfhJ
Authors:Shimomura, Y, Takahashi, Y, Fukuyama, K.
Deposit date:2003-07-29
Release date:2005-02-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of Escherichia coli YfhJ protein, a member of the ISC machinery involved in assembly of iron-sulfur clusters.
Proteins, 60, 2005
1USC
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BU of 1usc by Molmil
PUTATIVE STYRENE MONOOXYGENASE SMALL COMPONENT
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, PUTATIVE STYRENE MONOOXYGENASE SMALL COMPONENT
Authors:Tahirov, T.H, Inagaki, E, Takahashi, H.
Deposit date:2003-11-21
Release date:2003-11-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal Structure of Putative Styrene Monooxygenase Small Component from Thermus Thermophilus
To be Published
8T0N
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BU of 8t0n by Molmil
Structure of Compound 4 bound to human ALDH1A1
Descriptor: 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol, Aldehyde dehydrogenase 1A1, CHLORIDE ION, ...
Authors:Hurley, T.D.
Deposit date:2023-06-01
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes.
Chem.Biol.Interact., 391, 2024
8T0T
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BU of 8t0t by Molmil
Structure of Compound 4 bound to human ALDH1A1
Descriptor: 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile, Aldehyde dehydrogenase 1A1, CHLORIDE ION, ...
Authors:Hurley, T.D.
Deposit date:2023-06-01
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes.
Chem.Biol.Interact., 391, 2024
1WZ1
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BU of 1wz1 by Molmil
Crystal structure of the Fv fragment complexed with dansyl-lysine
Descriptor: Ig heavy chain, Ig light chain, N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-L-LYSINE
Authors:Nakasako, M, Oka, T, Mashumo, M, Takahashi, H, Shimada, I, Yamaguchi, Y, Kato, K, Arata, Y.
Deposit date:2005-02-21
Release date:2006-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational dynamics of complementarity-determining region H3 of an anti-dansyl Fv fragment in the presence of its hapten
J.Mol.Biol., 351, 2005
8TQD
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BU of 8tqd by Molmil
NF-Kappa-B1 Bound with a Covalent Inhibitor
Descriptor: 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit
Authors:Hilbert, B.J.
Deposit date:2023-08-07
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:DrugMap: A quantitative pan-cancer analysis of cysteine ligandability.
Cell, 187, 2024
2RRA
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BU of 2rra by Molmil
Solution structure of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA)
Descriptor: 5'-R(*GP*AP*AP*GP*AP*A)-3', cDNA FLJ40872 fis, clone TUTER2000283, ...
Authors:Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2010-06-17
Release date:2011-04-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011
2ZKX
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BU of 2zkx by Molmil
Crystal structure of human Cu-Zn superoxide dismutase mutant G85R in space group I212121
Descriptor: COPPER (I) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Yoshikawa, S, Kukimoto-Niino, M, Ito, K, Chen, L, Fu, Z.Q, Chrzas, J, Wang, B.C, Shirouzu, M, Urushitani, M, Takahashi, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-03-31
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of human Cu-Zn superoxide dismutase mutant G85R in space group I212121
To be Published
1WTF
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BU of 1wtf by Molmil
Crystal structure of Bacillus thermoproteolyticus Ferredoxin Variants Containing Unexpected [3Fe-4S] Cluster that is linked to Coenzyme A at 1.6 A Resolution
Descriptor: COENZYME A, FE3-S4 CLUSTER, Ferredoxin, ...
Authors:Shirakawa, T, Takahashi, Y, Wada, K, Hirota, J, Takao, T, Ohmori, D, Fukuyama, K.
Deposit date:2004-11-22
Release date:2005-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of variant molecules of Bacillus thermoproteolyticus ferredoxin: crystal structure reveals bound coenzyme A and an unexpected [3Fe-4S] cluster associated with a canonical [4Fe-4S] ligand motif
Biochemistry, 44, 2005
2ZKW
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BU of 2zkw by Molmil
Crystal structure of human Cu-Zn superoxide dismutase mutant G85R in space group P21
Descriptor: COPPER (I) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Yoshikawa, S, Kukimoto-Niino, M, Ito, K, Chen, L, Fu, Z.Q, Chrzas, J, Wang, B.C, Shirouzu, M, Urushitani, M, Takahashi, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-03-31
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human Cu-Zn superoxide dismutase mutant G85R in space group P21
To be Published
2RQC
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BU of 2rqc by Molmil
Solution Structure of RNA-binding domain 3 of CUGBP1 in complex with RNA (UG)3
Descriptor: 5'-R(*UP*GP*UP*GP*UP*G)-3', CUG-BP- and ETR-3-like factor 1
Authors:Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-04-09
Release date:2009-08-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural basis for the sequence-specific RNA-recognition mechanism of human CUG-BP1 RRM3
Nucleic Acids Res., 37, 2009
2RRB
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BU of 2rrb by Molmil
Refinement of RNA binding domain in human Tra2 beta protein
Descriptor: cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene
Authors:Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2010-06-17
Release date:2011-04-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011
2RUG
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BU of 2rug by Molmil
Refined solution structure of the first RNA recognition motif domain in CPEB3
Descriptor: Cytoplasmic polyadenylation element-binding protein 3
Authors:Tsuda, K, Kuwasako, K, Nagata, T, Takahashi, M, Kigawa, T, Kobayashi, N, Guntert, P, Shirouzu, M, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2014-04-15
Release date:2014-09-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Novel RNA recognition motif domain in the cytoplasmic polyadenylation element binding protein 3.
Proteins, 82, 2014
2STD
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BU of 2std by Molmil
SCYTALONE DEHYDRATASE COMPLEXED WITH TIGHT-BINDING INHIBITOR CARPROPAMID
Descriptor: ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, SCYTALONE DEHYDRATASE, SULFATE ION
Authors:Nakasako, M, Motoyama, T, Kurahashi, Y, Yamaguchi, I.
Deposit date:1997-12-21
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cryogenic X-ray crystal structure analysis for the complex of scytalone dehydratase of a rice blast fungus and its tight-binding inhibitor, carpropamid: the structural basis of tight-binding inhibition.
Biochemistry, 37, 1998

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