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4B7S
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BU of 4b7s by Molmil
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N- dimethylamino)propanoate anchoring group
Descriptor: CYTOCHROME P450 HYDROXYLASE PIKC, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Podust, L.M.
Deposit date:2012-08-21
Release date:2013-08-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation.
J.Am.Chem.Soc., 136, 2014
4J61
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BU of 4j61 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Cyclopentanone: One of twelve in MSCS set
Descriptor: Ribonuclease pancreatic, SULFATE ION, cyclopentanone
Authors:Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
Deposit date:2013-02-11
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:DRoP: A program for analysis of water structure on protein surfaces
to be published
3CWK
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BU of 3cwk by Molmil
Crystal Structure of the R132K:Y134F:R111L:T54V:L121E Mutant of Cellular Retinoic Acid Binding Protein Type II in Complex with All-trans-Retinoic Acid at 1.57 Angstroms Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINOIC ACID, SULFATE ION
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2008-04-22
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of site-directed mutants of cellular retinoic acid-binding protein II addresses the relationship between structural integrity and ligand binding.
Acta Crystallogr.,Sect.D, 64, 2008
4J66
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BU of 4j66 by Molmil
Crystal structure of Ribonuclease A soaked in 25% Dimethyl sulfoxide: One of twelve in MSCS set
Descriptor: DIMETHYL SULFOXIDE, Ribonuclease pancreatic, SULFATE ION
Authors:Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
Deposit date:2013-02-11
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.039 Å)
Cite:DRoP: A program for analysis of water structure on protein surfaces
to be published
4J6P
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BU of 4j6p by Molmil
Crystal structure of calcium2+-free wild-type CD23 lectin domain (crystal form F)
Descriptor: Low affinity immunoglobulin epsilon Fc receptor
Authors:Dhaliwal, B, Yuan, D, Sutton, B.J.
Deposit date:2013-02-11
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational plasticity at the IgE-binding site of the B-cell receptor CD23.
Mol.Immunol., 56, 2013
4DQ4
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BU of 4dq4 by Molmil
Bovine beta-lactoglobulin complex with linoleic acid
Descriptor: Beta-lactoglobulin, ETHANOL, GLYCEROL, ...
Authors:Loch, J.I, Lewinski, K.
Deposit date:2012-02-15
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of 18-carbon unsaturated fatty acids to bovine beta-lactoglobulin--structural and thermodynamic studies.
Int.J.Biol.Macromol., 57, 2013
4J9G
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BU of 4j9g by Molmil
Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH7
Descriptor: GLYCEROL, P7, SULFATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2013-02-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7
To be Published
4DZT
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BU of 4dzt by Molmil
Aqualysin I: the crystal structure of a serine protease from an extreme thermophile, Thermus aquaticus YT-1
Descriptor: Aqualysin-1, CALCIUM ION, phenylmethanesulfonic acid
Authors:Barnett, B.L, Green, P.R, Strickland, L.C, Oliver, J.D, Rydel, T, Sullivan, J.F.
Deposit date:2012-03-01
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Aqualysin I: the crystal structure of a serine protease from an extreme thermophile, Thermus aquaticus YT-1
To be Published
3CYT
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BU of 3cyt by Molmil
REDOX CONFORMATION CHANGES IN REFINED TUNA CYTOCHROME C
Descriptor: CYTOCHROME C, HEME C
Authors:Takano, T.
Deposit date:1980-07-01
Release date:1980-09-16
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Redox conformation changes in refined tuna cytochrome c.
Proc.Natl.Acad.Sci.USA, 77, 1980
3CXG
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BU of 3cxg by Molmil
Crystal structure of Plasmodium falciparum thioredoxin, PFI0790w
Descriptor: GLYCEROL, Putative thioredoxin, SULFATE ION
Authors:Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Hills, T, Pizarro, J, Structural Genomics Consortium (SGC)
Deposit date:2008-04-24
Release date:2008-07-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Plasmodium falciparum thioredoxin, PFI0790w.
To be Published
4J7V
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BU of 4j7v by Molmil
Crystal structure of cross-linked hen egg white lysozyme soaked with 5mM [Ru(benzene)Cl2]2
Descriptor: Benzeneruthenium(II) chloride, CHLORIDE ION, Lysozyme C, ...
Authors:Tabe, H, Abe, S, Hikage, T, Kitagawa, S, Ueno, T.
Deposit date:2013-02-14
Release date:2014-02-19
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Solid Artificial Metalloenzymes: Post-Engineering of Porous Protein Crystals by Organometallic Complexes
To be Published
3CXY
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BU of 3cxy by Molmil
Crystal structure of the cytochrome P450 CYP121 P346L mutant from M. tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Characterization of active site structure in CYP121
TO BE PUBLISHED
4A5V
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BU of 4a5v by Molmil
Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4
Descriptor: MICRONEMAL PROTEIN 4
Authors:Marchant, J, Cowper, B, Liu, Y, Lai, L, Pinzan, C, Marq, J.B, Friedrich, N, Sawmynaden, K, Chai, W, Childs, R.A, Saouros, S, Simpson, P, Barreira, M.C.R, Feizi, T, Soldati-Favre, D, Matthews, S.
Deposit date:2011-10-28
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Galactose Recognition by the Apicomplexan Parasite Toxoplasma Gondii.
J.Biol.Chem., 287, 2012
4DBK
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BU of 4dbk by Molmil
Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine
Descriptor: BERBERINE, CALCIUM ION, Phospholipase A2, ...
Authors:Naveen, C.D, Abhilash, J, Prasanth, G.K, Sadasivan, C, Haridas, M.
Deposit date:2012-01-16
Release date:2012-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine
To be Published
4ABI
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BU of 4abi by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
3D17
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BU of 3d17 by Molmil
A triply ligated crystal structure of relaxed state human hemoglobin
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Safo, M.K, Musayev, F.N, Jenkins, J, Abraham, D.J.
Deposit date:2008-05-05
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A triply ligated crystal structure of relaxed state human hemoglobin
TO BE PUBLISHED
3D1Y
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BU of 3d1y by Molmil
Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, HIV-1 Protease, ...
Authors:Liu, F, Weber, I.T.
Deposit date:2008-05-06
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
4ABJ
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BU of 4abj by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
3ZZX
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BU of 3zzx by Molmil
Crystallographic structure of thioredoxin from Litopenaeus vannamei
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E.
Deposit date:2011-09-05
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei
Acta Crystallogr.,Sect.F, 69, 2013
3D7B
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BU of 3d7b by Molmil
The Ribonuclease A- 5'-Deoxy-5'-N-pyrrolidinouridine complex
Descriptor: 1-(5-deoxy-5-pyrrolidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, CITRATE ANION, Ribonuclease pancreatic
Authors:Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-05-21
Release date:2009-02-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
3D7O
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BU of 3d7o by Molmil
Human hemoglobin, nitrogen dioxide anion modified
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
Authors:Yi, J, Safo, M.K, Richter-Addo, G.B.
Deposit date:2008-05-21
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The nitrite anion binds to human hemoglobin via the uncommon O-nitrito mode.
Biochemistry, 47, 2008
3D43
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BU of 3d43 by Molmil
The crystal structure of Sph at 0.8A
Descriptor: CALCIUM ION, Sphericase
Authors:Almog, O.
Deposit date:2008-05-13
Release date:2009-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:The crystal structures of the psychrophilic subtilisin S41 and the mesophilic subtilisin Sph reveal the same calcium-loaded state.
Proteins, 74, 2009
4JJD
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BU of 4jjd by Molmil
Crystal structure of the N114A Abl-SH3 domain mutant at pH4
Descriptor: DI(HYDROXYETHYL)ETHER, SODIUM ION, Tyrosine-protein kinase ABL1
Authors:Camara-Artigas, A, Martin-Garcia, J.M.
Deposit date:2013-03-07
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the Abl-SH3 domain at pH5
To be Published
4FDH
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BU of 4fdh by Molmil
Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole
Descriptor: 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B2, mitochondrial, ...
Authors:Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W.
Deposit date:2012-05-28
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
3CFY
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BU of 3cfy by Molmil
Crystal structure of signal receiver domain of putative Luxo repressor protein from Vibrio parahaemolyticus
Descriptor: Putative LuxO repressor protein
Authors:Patskovsky, Y, Ramagopal, U.A, Fong, R, Freeman, J, Iizuka, M, Groshong, C, Smith, D, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-04
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Signal Receiver Domain of Putative Luxo Repressor Protein from Vibrio Parahaemolyticus.
To be Published

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數據於2024-09-18公開中

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