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5YSN
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BU of 5ysn by Molmil
Ethanolamine ammonia-lyase, AdoCbl/substrate-free
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Ethanolamine ammonia-lyase heavy chain, ...
Authors:Shibata, N.
Deposit date:2017-11-14
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Direct Participation of a Peripheral Side Chain of a Corrin Ring in Coenzyme B12Catalysis.
Angew. Chem. Int. Ed. Engl., 57, 2018
5YSH
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BU of 5ysh by Molmil
Diol dehydratase - alpha/T172A mutant complexed with AdoCbl, aerobically-prepared crystal
Descriptor: 5'-DEOXYADENOSINE, CALCIUM ION, COBALAMIN, ...
Authors:Shibata, N.
Deposit date:2017-11-14
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Direct Participation of a Peripheral Side Chain of a Corrin Ring in Coenzyme B12Catalysis.
Angew. Chem. Int. Ed. Engl., 57, 2018
4INX
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BU of 4inx by Molmil
Structure of Pheromone-binding protein 1 in complex with (Z,Z)-11,13- hexadecadienol
Descriptor: (11Z,13Z)-hexadeca-11,13-dien-1-ol, Pheromone-binding protein 1
Authors:di Luccio, E, Wilson, D.K.
Deposit date:2013-01-07
Release date:2013-03-06
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Plos One, 8, 2013
5ELN
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BU of 5eln by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, LYSINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-11-04
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 2019
5X02
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BU of 5x02 by Molmil
Crystal structure of the FLT3 kinase domain bound to the inhibitor FF-10101
Descriptor: N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide, Receptor-type tyrosine-protein kinase FLT3, SULFATE ION
Authors:Fujikawa, N, Hirano, D, Takasaki, M, Terada, D, Hagiwara, S, Park, S.-Y, Sugiyama, K.
Deposit date:2017-01-19
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:A novel irreversible FLT3 inhibitor, FF-10101, shows excellent efficacy against AML cells withFLT3mutations.
Blood, 131, 2018
6D3E
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BU of 6d3e by Molmil
PPARg LBD in Complex with SR1988
Descriptor: 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Bruning, J.B.
Deposit date:2018-04-15
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Structural and Dynamic Elucidation of a Non-acid PPARgammaPartial Agonist: SR1988.
Nucl Receptor Res, 5, 2018
4INW
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BU of 4inw by Molmil
Structure of Pheromone-binding protein 1 in complex with (11Z,13Z)-hexadecadienal
Descriptor: (11Z,13Z)-hexadeca-11,13-dienal, Pheromone-binding protein 1
Authors:di Luccio, E, Wilson, D.K.
Deposit date:2013-01-07
Release date:2013-03-06
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Plos One, 8, 2013
3WEX
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BU of 3wex by Molmil
Crystal structure of HLA-DP5 in complex with Cry j 1-derived peptide (residues 214-222)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II antigen
Authors:Kusano, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-16
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the specific recognition of the major antigenic peptide from the Japanese cedar pollen allergen Cry j 1 by HLA-DP5
J. Mol. Biol., 426, 2014
4J6R
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BU of 4j6r by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC23 in complex with HIV-1 gp120
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-02-11
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
4JB9
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BU of 4jb9 by Molmil
Crystal structure of antibody VRC06 in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, antibody VRC06 heavy chain, antibody VRC06 light chain, ...
Authors:Kwon, Y.D, Zhou, T, Srivatsan, S, Kwong, P.D.
Deposit date:2013-02-19
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
2CU7
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BU of 2cu7 by Molmil
Solution structure of the SANT domain of human KIAA1915 protein
Descriptor: KIAA1915 protein
Authors:Yoneyama, M, Umehara, T, Saito, K, Tochio, N, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-25
Release date:2005-11-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and Functional Differences of SWIRM Domain Subtypes
J.Mol.Biol., 369, 2007
2CUJ
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BU of 2cuj by Molmil
Solution structure of SWIRM domain of mouse transcriptional adaptor 2-like
Descriptor: transcriptional adaptor 2-like
Authors:Yoneyama, M, Umehara, T, Sato, M, Tochio, N, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-26
Release date:2005-11-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and Functional Differences of SWIRM Domain Subtypes
J.Mol.Biol., 369, 2007
2REL
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BU of 2rel by Molmil
SOLUTION STRUCTURE OF R-ELAFIN, A SPECIFIC INHIBITOR OF ELASTASE, NMR, 11 STRUCTURES
Descriptor: R-ELAFIN
Authors:Francart, C, Dauchez, M, Alix, A.J.P, Lippens, G.
Deposit date:1997-04-01
Release date:1997-07-07
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of R-elafin, a specific inhibitor of elastase.
J.Mol.Biol., 268, 1997
1WMG
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BU of 1wmg by Molmil
Crystal structure of the UNC5H2 death domain
Descriptor: SULFATE ION, SULFITE ION, netrin receptor Unc5h2
Authors:Handa, N, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-07-09
Release date:2005-01-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the UNC5H2 death domain
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2DCE
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BU of 2dce by Molmil
Solution structure of the SWIRM domain of human KIAA1915 protein
Descriptor: KIAA1915 protein
Authors:Yoneyama, M, Tochio, N, Umehara, T, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-01-06
Release date:2006-07-06
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and Functional Differences of SWIRM Domain Subtypes
J.Mol.Biol., 369, 2007
1TCG
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BU of 1tcg by Molmil
STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
Descriptor: MU-CONOTOXIN GIIIA
Authors:Kohda, D, Lancelin, J.-M, Inagaki, F, Wakamatsu, K.
Deposit date:1992-12-12
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
1TCK
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BU of 1tck by Molmil
STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
Descriptor: MU-CONOTOXIN GIIIA
Authors:Lancelin, J.-M, Kohda, D, Inagaki, F.
Deposit date:1992-12-12
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
3WKW
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BU of 3wkw by Molmil
Crystal structure of GH127 beta-L-arabinofuranosidase HypBA1 from Bifidobacterium longum ligand free form
Descriptor: Non-reducing end beta-L-arabinofuranosidase
Authors:Ito, T, Saikawa, K, Arakawa, T, Wakagi, T, Fujita, K.
Deposit date:2013-11-01
Release date:2014-04-30
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of glycoside hydrolase family 127 beta-l-arabinofuranosidase from Bifidobacterium longum.
Biochem.Biophys.Res.Commun., 447, 2014
5XXL
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BU of 5xxl by Molmil
Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
Authors:Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H.
Deposit date:2017-07-04
Release date:2017-12-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
FEBS Lett., 591, 2017
5XXO
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BU of 5xxo by Molmil
Crystal structure of mutant (D286N) GH3 beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorotriose
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
Authors:Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H.
Deposit date:2017-07-04
Release date:2017-12-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
FEBS Lett., 591, 2017
5XXM
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BU of 5xxm by Molmil
Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron in complex with gluconolactone
Descriptor: D-glucono-1,5-lactone, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
Authors:Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H.
Deposit date:2017-07-04
Release date:2017-12-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
FEBS Lett., 591, 2017
3WKX
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BU of 3wkx by Molmil
Crystal structure of GH127 beta-L-arabinofuranosidase HypBA1 from Bifidobacterium longum arabinose complex form
Descriptor: Non-reducing end beta-L-arabinofuranosidase, ZINC ION, beta-L-arabinofuranose
Authors:Ito, T, Saikawa, K, Arakawa, T, Wakagi, T, Fujita, K.
Deposit date:2013-11-01
Release date:2014-04-30
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of glycoside hydrolase family 127 beta-l-arabinofuranosidase from Bifidobacterium longum.
Biochem.Biophys.Res.Commun., 447, 2014
5ZLQ
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BU of 5zlq by Molmil
Crystal Structure of C1orf123
Descriptor: UPF0587 protein C1orf123, ZINC ION
Authors:Furukawa, Y, Lim, C.T, Tosha, T.
Deposit date:2018-03-29
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a novel zinc-binding protein, C1orf123, as an interactor with a heavy metal-associated domain
PLoS ONE, 13, 2018
1TCJ
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BU of 1tcj by Molmil
STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
Descriptor: MU-CONOTOXIN GIIIA
Authors:Kohda, D, Lancelin, J.-M, Inagaki, F, Wakamatsu, K.
Deposit date:1992-12-12
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
7FB7
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BU of 7fb7 by Molmil
Crystal structure of human UHRF1 TTD in complex with 5-amino-2,4-dimethylpyridine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-amino-2,4-dimethylpyridine, DIMETHYL SULFOXIDE, ...
Authors:Kori, S, Arita, K, Yoshimi, S.
Deposit date:2021-07-08
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1.
Bioorg.Med.Chem., 52, 2021

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