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3NBB
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BU of 3nbb by Molmil
Crystal structure of mutant Y305F expressed in E. coli in the copper amine oxidase from hansenula polymorpha
Descriptor: COPPER (II) ION, Peroxisomal primary amine oxidase
Authors:Chen, Z, Datta, S, DuBois, J.L, Klinman, J.P, Mathews, F.S.
Deposit date:2010-06-03
Release date:2010-08-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mutation at a strictly conserved, active site tyrosine in the copper amine oxidase leads to uncontrolled oxygenase activity.
Biochemistry, 49, 2010
3ZBX
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BU of 3zbx by Molmil
X-ray Structure of c-Met kinase in complex with inhibitor 6-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl) quinoline.
Descriptor: 6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Wickersham, J, Ryan, K.
Deposit date:2012-11-13
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats.
J.Med.Chem., 56, 2013
3ZFG
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BU of 3zfg by Molmil
Human enterovirus 71 in complex with capsid binding inhibitor WIN51711
Descriptor: 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, VP1, VP2, ...
Authors:Plevka, P, Perera, R, Yap, M.L, Cardosa, J, Kuhn, R.J, Rossmann, M.G.
Deposit date:2012-12-11
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Human Enterovirus 71 in Complex with a Capsid-Binding Inhibitor.
Proc.Natl.Acad.Sci.USA, 110, 2013
3PM1
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BU of 3pm1 by Molmil
Structure of QacR E90Q bound to Ethidium
Descriptor: ETHIDIUM, HTH-type transcriptional regulator qacR, SULFATE ION
Authors:Schumacher, M.A.
Deposit date:2010-11-15
Release date:2011-07-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A single acidic residue can guide binding site selection but does not govern QacR cationic-drug affinity.
Plos One, 6, 2011
3PMG
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BU of 3pmg by Molmil
STRUCTURE OF RABBIT MUSCLE PHOSPHOGLUCOMUTASE AT 2.4 ANGSTROMS RESOLUTION. USE OF FREEZING POINT DEPRESSANT AND REDUCED TEMPERATURE TO ENHANCE DIFFRACTIVITY
Descriptor: MAGNESIUM ION, Phosphoglucomutase-1
Authors:Ray Junior, W.J, Liu, Y, Baranidharan, S.
Deposit date:1995-03-02
Release date:1995-12-07
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of rabbit muscle phosphoglucomutase refined at 2.4 A resolution.
Acta Crystallogr.,Sect.D, 53, 1997
2UZA
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BU of 2uza by Molmil
CRYSTAL STRUCTURE OF THE FREE RADICAL INTERMEDIATE OF PYRUVATE:FERREDOXIN OXIDOREDUCTASE FROM DESULFOVIBRIO AFRICANUS
Descriptor: 2-ACETYL-THIAMINE DIPHOSPHATE, CALCIUM ION, CARBON DIOXIDE, ...
Authors:Chabriere, E, Cavazza, C, Contreras-Martel, C, Fontecilla-Camps, J.C.
Deposit date:2007-04-27
Release date:2008-05-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Flexibility of thiamine diphosphate revealed by kinetic crystallographic studies of the reaction of pyruvate-ferredoxin oxidoreductase with pyruvate.
Structure, 14, 2006
3ZC5
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BU of 3zc5 by Molmil
X-ray Structure of c-Met kinase in complex with inhibitor (S)-6-(1-(6- (1-methyl-1H-pyrazol-4-yl)-(1,2,4)triazolo(4,3-b)pyridazin-3-yl)ethyl) quinoline.
Descriptor: 6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Grodsky, N, Ryan, K.
Deposit date:2012-11-15
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats.
J.Med.Chem., 56, 2013
3ZCL
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BU of 3zcl by Molmil
X-ray Structure of c-Met kinase in complex with inhibitor (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3- b)pyridazin-6-amine
Descriptor: (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Grodsky, N, Ryan, K.
Deposit date:2012-11-20
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lessons from (S)-6-(1-(6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-B]Pyridazin-3-Yl)Ethyl)Quinoline (Pf-04254644), an Inhibitor of Receptor Tyrosine Kinase C-met with High Protein Kinase Selectivity But Broad Phosphodiesterase Family Inhibition Leading to Myocardial Degeneration in Rats.
J.Med.Chem., 56, 2013
3ZQQ
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BU of 3zqq by Molmil
Crystal structure of the full-length small terminase from a SPP1-like bacteriophage
Descriptor: TERMINASE SMALL SUBUNIT
Authors:Buttner, C.R, Chechik, M, Ortiz-Lombardia, M, Smits, C, Chechik, V, Jeschke, G, Dykeman, E, Benini, S, Alonso, J.C, Antson, A.A.
Deposit date:2011-06-10
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural Basis for DNA Recognition and Loading Into a Viral Packaging Motor.
Proc.Natl.Acad.Sci.USA, 109, 2012
3PTE
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BU of 3pte by Molmil
THE REFINED CRYSTALLOGRAPHIC STRUCTURE OF A DD-PEPTIDASE PENICILLIN-TARGET ENZYME AT 1.6 A RESOLUTION
Descriptor: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE
Authors:Kelly, J.A, Kuzin, A.P.
Deposit date:1994-08-05
Release date:1995-08-15
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The refined crystallographic structure of a DD-peptidase penicillin-target enzyme at 1.6 A resolution.
J.Mol.Biol., 254, 1995
3PW4
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BU of 3pw4 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-N7-Gua) with DNA Polymerase IV and incoming dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, CALCIUM ION, ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PTD
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BU of 3ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT D274S
Descriptor: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
Authors:Heinz, D.W.
Deposit date:1997-07-17
Release date:1998-01-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
3PRC
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BU of 3prc by Molmil
PHOTOSYNTHETIC REACTION CENTER FROM RHODOPSEUDOMONAS VIRIDIS (QB-DEPLETED)
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Lancaster, C.R.D, Michel, H.
Deposit date:1997-07-29
Release date:1998-11-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The coupling of light-induced electron transfer and proton uptake as derived from crystal structures of reaction centres from Rhodopseudomonas viridis modified at the binding site of the secondary quinone, QB.
Structure, 5, 1997
3ZQC
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BU of 3zqc by Molmil
Structure of the Trichomonas vaginalis Myb3 DNA-binding domain bound to a promoter sequence reveals a unique C-terminal beta-hairpin conformation
Descriptor: MRE-1, MYB3
Authors:Wei, S.-Y, Lou, Y.-C, Tsai, J.-Y, Hsu, H.-M, Tai, J.-H, Hsiao, C.-D, Chen, C.
Deposit date:2011-06-09
Release date:2012-04-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Trichomonas Vaginalis Myb3 DNA-Binding Domain Bound to a Promoter Sequence Reveals a Unique C-Terminal Beta-Hairpin Conformation.
Nucleic Acids Res., 40, 2012
3Q8W
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BU of 3q8w by Molmil
A b-aminoacyl containing thiazolidine derivative and DPPIV complex
Descriptor: Dipeptidyl peptidase 4, N-(4-{[({(2R)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valine
Authors:Lee, J.O, Song, D.H.
Deposit date:2011-01-07
Release date:2011-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:Discovery of b-aminoacyl containing thiazolidine derivatives as potent and selective dipeptidyl peptidase IV inhibitors
To be Published
3QCF
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BU of 3qcf by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid via co-crystallization
Descriptor: 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid, Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3FGM
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BU of 3fgm by Molmil
Crystal structure of L44F/C83T/C117V/F132W mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2008-12-06
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The interaction between thermodynamic stability and buried free cysteines in regulating the functional half-life of fibroblast growth factor-1.
J.Mol.Biol., 393, 2009
3F4K
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BU of 3f4k by Molmil
Crystal structure of a probable methyltransferase from Bacteroides thetaiotaomicron. Northeast Structural Genomics target BtR309.
Descriptor: Putative methyltransferase
Authors:Seetharaman, J, Lew, S, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-10-31
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a probable methyltransferase from Bacteroides thetaiotaomicron. Northeast Structural Genomics target BtR309.
To be Published
3QHM
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BU of 3qhm by Molmil
Crystal analysis of the complex structure, E342A-cellotetraose, of endocellulase from pyrococcus horikoshii
Descriptor: 458aa long hypothetical endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Kim, H.-W, Ishikawa, K.
Deposit date:2011-01-26
Release date:2012-02-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots
Biochem.J., 437, 2011
3QCG
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BU of 3qcg by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid
Descriptor: 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid, ACETIC ACID, Receptor-type tyrosine-protein phosphatase gamma
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
409D
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BU of 409d by Molmil
CRYSTAL STRUCTURE OF AN RNA R(CCCIUGGG) WITH THREE INDEPENDENT DUPLEXES INCORPORATING TANDEM I.U WOBBLES
Descriptor: RNA (5'-R(*CP*CP*CP*IP*UP*GP*GP*G)-3')
Authors:Pan, B, Mitra, S.N, Sun, L, Hart, D, Sundaralingam, M.
Deposit date:1998-06-26
Release date:1999-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of an RNA octamer duplex r(CCCIUGGG)2 incorporating tandem I.U wobbles.
Nucleic Acids Res., 26, 1998
3OBQ
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BU of 3obq by Molmil
Crystal Structure of the Tsg101 UEV domain in complex with a human HRS PSAP peptide
Descriptor: Hepatocyte growth factor-regulated tyrosine kinase substrate, Tumor susceptibility gene 101 protein
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2010-08-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic and Functional Analysis of the ESCRT-I /HIV-1 Gag PTAP Interaction.
Structure, 18, 2010
418D
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BU of 418d by Molmil
5'-R(*GP*UP*GP*CP*AP*CP*A)-D(P*C)-3'
Descriptor: RNA (5'-R(*GP*UP*GP*CP*AP*CP*AP*C)-3')
Authors:Mitra, S.N, Biswas, R, Shi, K, Sundaralingam, M.
Deposit date:1998-08-12
Release date:2003-06-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an RNA duplex [r(gugcaca)dC]2 with 3'-dinucleoside overhangs forming a superhelix.
J.Biomol.Struct.Dyn., 11, 2000
43CA
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BU of 43ca by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF THE ESTEROLYTIC AND AMIDOLYTIC 43C9 ANTIBODY WITH BOUND P-NITROPHENOL
Descriptor: P-NITROPHENOL, PROTEIN (IMMUNOGLOBULIN (HEAVY CHAIN)), PROTEIN (IMMUNOGLOBULIN (LIGHT CHAIN))
Authors:Thayer, M.M, Getzoff, E.D, Roberts, V.A.
Deposit date:1999-03-10
Release date:1999-08-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for amide hydrolysis catalyzed by the 43C9 antibody.
J.Mol.Biol., 291, 1999
3OBX
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BU of 3obx by Molmil
Crystal structure of the Tsg101 UEV domain in complex with a HIV-1 Gag P7A mutant peptide
Descriptor: Gag polyprotein, Tumor susceptibility gene 101 protein
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2010-08-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic and Functional Analysis of the ESCRT-I /HIV-1 Gag PTAP Interaction.
Structure, 18, 2010

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