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3A60
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Crystal structure of unphosphorylated p70S6K1 (Form I)
Descriptor: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
Authors:Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
Deposit date:2009-08-17
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
2FKO
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BU of 2fko by Molmil
Structure of PH1591 from Pyrococcus horikoshii OT3
Descriptor: 1,2-ETHANEDIOL, 173aa long hypothetical ferripyochelin binding protein, ZINC ION
Authors:Jeyakanthan, J, Tahirov, T.H, Yokoyama, S, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-01-05
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Observation of a calcium-binding site in the gamma-class carbonic anhydrase from Pyrococcus horikoshii.
Acta Crystallogr.,Sect.D, 64, 2008
7Z50
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BU of 7z50 by Molmil
Structure of the highly diabetogenic 4.1-T cell receptor targeting a hybrid insulin peptide bound to I-Ag7.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4.1 TCR alpha chain, ...
Authors:Lopez-Sagaseta, J, Erausquin, E.
Deposit date:2022-03-06
Release date:2022-07-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural plasticity in I-A g7 links autoreactivity to hybrid insulin peptides in type I diabetes.
Front Immunol, 13, 2022
1JKZ
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BU of 1jkz by Molmil
NMR Solution Structure of Pisum sativum defensin 1 (Psd1)
Descriptor: DEFENSE-RELATED PEPTIDE 1
Authors:Almeida, M.S, Cabral, K.M.S, Kurtenbach, E, Almeida, F.C.L, Valente, A.P.
Deposit date:2001-07-13
Release date:2002-02-06
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Solution structure of Pisum sativum defensin 1 by high resolution NMR: plant defensins, identical backbone with different mechanisms of action.
J.Mol.Biol., 315, 2002
4PQ7
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BU of 4pq7 by Molmil
The crystal structure of the human carbonic anhydrase ii in complex with a sulfamide inhibitor
Descriptor: 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2014-02-28
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydrophobic substituents of the phenylmethylsulfamide moiety can be used for the development of new selective carbonic anhydrase inhibitors.
Biomed Res Int, 2014, 2014
4CN8
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BU of 4cn8 by Molmil
Structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus
Descriptor: 1,2-ETHANEDIOL, PROXIMAL THREAD MATRIX PROTEIN 1, SULFATE ION
Authors:Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C.
Deposit date:2014-01-21
Release date:2014-03-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
3FP7
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BU of 3fp7 by Molmil
Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) cleaved at the scissile bond (LYS15-ALA16) determined to the 1.46 A resolution limit
Descriptor: 1,2-ETHANEDIOL, Anionic trypsin-2, CALCIUM ION, ...
Authors:Zakharova, E, Horvath, M.P, Goldenberg, D.P.
Deposit date:2009-01-04
Release date:2009-02-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of a serine protease poised to resynthesize a peptide bond.
Proc.Natl.Acad.Sci.USA, 106, 2009
3UTP
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BU of 3utp by Molmil
1E6 TCR specific for HLA-A*0201-ALWGPDPAAA
Descriptor: 1E6 TCR alpha chain, 1E6 TCR beta chain, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M.
Deposit date:2011-11-26
Release date:2012-01-25
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes.
Nat.Immunol., 13, 2012
4KXU
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BU of 4kxu by Molmil
Human transketolase in covalent complex with donor ketose D-fructose-6-phosphate
Descriptor: 1,2-ETHANEDIOL, D-SORBITOL-6-PHOSPHATE, MAGNESIUM ION, ...
Authors:Neumann, P, Luedtke, S, Ficner, R, Tittmann, K.
Deposit date:2013-05-28
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
5V1W
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BU of 5v1w by Molmil
Crystal structure of BhGH81 in complex with laminaro-biose
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2017-03-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The quaternary structure of beta-1,3-glucan contributes to its recognition and hydrolysis by a multimodular family 81 glycoside hydrolase
Structure, 2017
3JSJ
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BU of 3jsj by Molmil
Crystal structure of a putative tetr-transcriptional regulator (sav143) from streptomyces avermitilis ma-4680 at 2.10 A resolution
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Putative TetR-family transcriptional regulator
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-09-10
Release date:2009-09-22
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Putative transcriptional regulator (NP_821317.1) from Streptomyces avermitilis MA-4680 at 2.10 A resolution
To be published
2PB0
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BU of 2pb0 by Molmil
Structure of biosynthetic N-acetylornithine aminotransferase from Salmonella typhimurium: studies on substrate specificity and inhibitor binding
Descriptor: 1,2-ETHANEDIOL, Acetylornithine/succinyldiaminopimelate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Rajaram, V, Ratna Prasuna, P, Savithri, H.S, Murthy, M.R.N.
Deposit date:2007-03-28
Release date:2007-12-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of biosynthetic N-acetylornithine aminotransferase from Salmonella typhimurium: Studies on substrate specificity and inhibitor binding
Proteins, 70, 2007
1RBA
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BU of 1rba by Molmil
SUBSTITUTION OF ASP193 TO ASN AT THE ACTIVE SITE OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE RESULTS IN CONFORMATIONAL CHANGES
Descriptor: RUBISCO
Authors:Schneider, G, Soderlind, E.
Deposit date:1991-11-18
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substitution of ASP193 to ASN at the active site of ribulose-1,5-bisphosphate carboxylase results in conformational changes.
Eur.J.Biochem., 206, 1992
1RCQ
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BU of 1rcq by Molmil
The 1.45 A crystal structure of alanine racemase from a pathogenic bacterium, Pseudomonas aeruginosa, contains both internal and external aldimine forms
Descriptor: D-LYSINE, PYRIDOXAL-5'-PHOSPHATE, catabolic alanine racemase DadX
Authors:Le Magueres, P, Im, H, Dvorak, A, Strych, U, Benedik, M, Krause, K.L.
Deposit date:2003-11-04
Release date:2004-06-01
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure at 1.45 A resolution of alanine racemase from a pathogenic bacterium, Pseudomonas aeruginosa, contains both internal and external aldimine forms.
Biochemistry, 42, 2003
4D8W
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BU of 4d8w by Molmil
Salmonella typhimurium D-Cysteine desulfhydrase soaked with D-cys shows pyruvate bound 4 A away from active site
Descriptor: 1,2-ETHANEDIOL, BENZAMIDINE, CHLORIDE ION, ...
Authors:Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-01-11
Release date:2012-05-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Plos One, 7, 2012
6M5Y
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BU of 6m5y by Molmil
Structure of human galectin-1 tandem-repeat mutant with lactose
Descriptor: Galectin-1,Galectin-1, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Nonaka, Y, Kamitori, S, Nakamura, T.
Deposit date:2020-03-12
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure and conformational stability of a galectin-1 tandem-repeat mutant with a short linker.
Glycobiology, 2021
2X2Y
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BU of 2x2y by Molmil
Cellulomonas fimi endo-beta-1,4-mannanase double mutant
Descriptor: FORMIC ACID, MAGNESIUM ION, MAN26A
Authors:Hekmat, O, Lo Leggio, L, Rosengren, A, Kamarauskaite, J, Kolenova, K, Staalbrand, H.
Deposit date:2010-01-18
Release date:2010-06-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rational Engineering of Mannosyl Binding in the Distal Glycone Subsites of Cellulomonas Fimi Endo-Beta-1,4-Mannanase: Mannosyl Binding Promoted at Subsite -2 and Demoted at Subsite -3 .
Biochemistry, 49, 2010
2WZJ
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BU of 2wzj by Molmil
Catalytic and UBA domain of kinase MARK2/(Par-1) K82R, T208E double mutant
Descriptor: SERINE/THREONINE-PROTEIN KINASE MARK2
Authors:Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:2009-11-30
Release date:2009-12-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.786 Å)
Cite:Structure and Function of Polarity-Inducing Kinase Family Mark/Par-1 within the Branch of Ampk/Snf1-Related Kinases.
Faseb J., 24, 2010
5ZJC
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BU of 5zjc by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CY41
Descriptor: (2S)-2-methyl-3-sulfanyl-propan-1-ol, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-20
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
7YVZ
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BU of 7yvz by Molmil
Structure of Caenorhabditis elegans CISD-1/mitoNEET
Descriptor: CDGSH iron-sulfur domain-containing protein 1 (CISD-1/mitoNEET), FE2/S2 (INORGANIC) CLUSTER
Authors:Hasegawa, K, Hagiuda, E, Taguchi, A.T, Geldenhuys, W, Iwasaki, T, Kumasaka, T.
Deposit date:2022-08-20
Release date:2022-10-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and biological evaluation of Caenorhabditis elegans CISD-1/mitoNEET, a KLP-17 tail domain homologue, supports attenuation of paraquat-induced oxidative stress through a p38 MAPK-mediated antioxidant defense response.
Adv Redox Res, 6, 2022
1V35
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BU of 1v35 by Molmil
Crystal Structure of Eoyl-ACP Reductase with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, enoyl-ACP reductase
Authors:SwarnaMukhi, P.L, Kapoor, M, surolia, N, Surolia, A, Suguna, K.
Deposit date:2003-10-28
Release date:2004-09-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the variation in triclosan affinity to enoyl reductases.
J.Mol.Biol., 343, 2004
2P95
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BU of 2p95 by Molmil
Factor xa in complex with the inhibitor 5-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
Descriptor: 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE, Factor Xa
Authors:Chang, C.-H.
Deposit date:2007-03-23
Release date:2007-07-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Bioorg.Med.Chem.Lett., 17, 2007
5IEG
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BU of 5ieg by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with N-9'-methoxynonyl-1-deoxynojirimycin.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2016-02-25
Release date:2016-07-27
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (1.822 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
7YXA
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BU of 7yxa by Molmil
XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ...
Authors:Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2022-02-15
Release date:2022-08-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors.
Nat Commun, 13, 2022
1RCF
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BU of 1rcf by Molmil
STRUCTURE OF THE TRIGONAL FORM OF RECOMBINANT OXIDIZED FLAVODOXIN FROM ANABAENA 7120 AT 1.40 ANGSTROMS RESOLUTION
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION
Authors:Burkhart, B, Ramakrishnan, B, Yan, H, Reedstrom, R, Markley, J, Straus, N, Sundaralingam, M.
Deposit date:1994-10-31
Release date:1995-01-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the trigonal form of recombinant oxidized flavodoxin from Anabaena 7120 at 1.40 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995

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