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3HIZ
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BU of 3hiz by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
Deposit date:2009-05-20
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
2Y0D
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BU of 2y0d by Molmil
BceC mutation Y10K
Descriptor: SULFATE ION, UDP-GLUCOSE DEHYDROGENASE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
Authors:Rocha, J, Popescu, A.O, Borges, P, Mil-Homens, D, Sa-Correia, I, Fialho, A.M, Frazao, C.
Deposit date:2010-12-02
Release date:2011-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Burkholderia Cepacia Udp-Glucose Dehydrogenase (Ugd) Bcec and Role of Tyr10 in Final Hydrolysis of Ugd Thioester Intermediate.
J.Bacteriol., 193, 2011
2Y1X
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BU of 2y1x by Molmil
CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
Descriptor: CHLORIDE ION, HISTONE-ARGININE METHYLTRANSFERASE CARM1, N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE, ...
Authors:Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A.
Deposit date:2010-12-10
Release date:2011-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
2XIT
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BU of 2xit by Molmil
Crystal structure of monomeric MipZ
Descriptor: MIPZ
Authors:Kiekebusch, D, Michie, K.A, Essen, L.O, Lowe, J, Thanbichler, M.
Deposit date:2010-06-30
Release date:2011-07-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Localized Dimerization and Nucleoid Binding Drive Gradient Formation by the Bacterial Cell Division Inhibitor Mipz.
Mol.Cell, 46, 2012
3HHM
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BU of 3hhm by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin
Descriptor: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
Deposit date:2009-05-15
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
2XJZ
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BU of 2xjz by Molmil
Crystal structure of the LMO2:LDB1-LID complex, C2 crystal form
Descriptor: CHLORIDE ION, LIM DOMAIN-BINDING PROTEIN 1, RHOMBOTIN-2, ...
Authors:El Omari, K, Karia, D, Porcher, C, Mancini, E.J.
Deposit date:2010-07-06
Release date:2010-07-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Leukemia Oncogene Lmo2: Implications for the Assembly of a Hematopoietic Transcription Factor Complex.
Blood, 117, 2011
2XTB
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BU of 2xtb by Molmil
Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Activator
Descriptor: 4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE, ADENOSINE KINASE
Authors:Kuettel, S, Greenwald, J, Kostrewa, D, Ahmed, S, Scapozza, L, Perozzo, R.
Deposit date:2010-10-05
Release date:2011-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of T. B. Rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation.
Plos Negl Trop Dis, 5, 2011
2Y5C
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BU of 2y5c by Molmil
Structure of human ferredoxin 2 (Fdx2)in complex with 2Fe2S cluster
Descriptor: ADRENODOXIN-LIKE PROTEIN, MITOCHONDRIAL, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Webert, H, Hobler, A, Sheftel, A.D, Molik, S, Maestre-Reyna, M, Essen, L.-O, Vorniscescu, D, Keusgen, M, Hannemann, F, Bernhardt, R, Lill, R.
Deposit date:2011-01-12
Release date:2012-02-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Functional Studies on Human Mitochondrial Ferredoxins
To be Published
3HF9
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BU of 3hf9 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant modified by inhibitor GL1
Descriptor: Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
Authors:Li, D, Li, H.
Deposit date:2009-05-11
Release date:2009-09-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.878 Å)
Cite:Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
2Y4W
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BU of 2y4w by Molmil
Solution structure of human ubiquitin conjugating enzyme Rad6b
Descriptor: UBIQUITIN-CONJUGATING ENZYME E2 B
Authors:Huang, A, Hibbert, R.G, deJong, R.N, Das, D, Sixma, T.K, Boelens, R.
Deposit date:2011-01-11
Release date:2011-05-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Symmetry and Asymmetry of the Ring-Ring Dimer of Rad18
J.Mol.Biol., 410, 2011
3HF3
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BU of 3hf3 by Molmil
Old Yellow Enzyme from Thermus scotoductus SA-01
Descriptor: Chromate reductase, FLAVIN MONONUCLEOTIDE, SULFATE ION
Authors:Opperman, D.J, Sewell, B.T, Litthauer, D, Isupov, M.N, Littlechild, J.A, van Heerden, E.
Deposit date:2009-05-11
Release date:2010-02-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a thermostable old yellow enzyme from Thermus scotoductus SA-01
Biochem.Biophys.Res.Commun., 393, 2010
2YQH
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BU of 2yqh by Molmil
Crystal structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the substrate-binding form
Descriptor: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A.
Deposit date:2007-03-30
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
2Y7Z
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BU of 2y7z by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
Descriptor: 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2YOM
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BU of 2yom by Molmil
Solution NMR structure of the C-terminal extension of two bacterial light, oxygen, voltage (LOV) photoreceptor proteins from Pseudomonas putida
Descriptor: SENSORY BOX PROTEIN
Authors:Rani, R, Lecher, J, Hartmann, R, Krauss, U, Jaeger, K, Willbold, D.
Deposit date:2012-10-25
Release date:2013-07-10
Last modified:2019-10-23
Method:SOLUTION NMR
Cite:Conservation of Dark Recovery Kinetic Parameters and Structural Features in the Pseudomonadaceae "Short" Light, Oxygen, Voltage (Lov) Protein Family: Implications for the Design of Lov-Based Optogenetic Tools.
Biochemistry, 52, 2013
2YOF
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BU of 2yof by Molmil
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor
Descriptor: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea, ACETATE ION, THYMIDYLATE KINASE, ...
Authors:Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H.
Deposit date:2012-10-24
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
2YE0
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BU of 2ye0 by Molmil
X-ray structure of the cyan fluorescent protein mTurquoise (K206A mutant)
Descriptor: GREEN FLUORESCENT PROTEIN
Authors:von Stetten, D, Goedhart, J, Noirclerc-Savoye, M, Lelimousin, M, Joosen, L, Hink, M.A, van Weeren, L, Gadella, T.W.J, Royant, A.
Deposit date:2011-03-25
Release date:2012-03-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-Guided Evolution of Cyan Fluorescent Proteins Towards a Quantum Yield of 93%
Nat.Commun, 3, 2012
3HJC
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BU of 3hjc by Molmil
Crystal structure of the carboxy-terminal domain of HSP90 from Leishmania major, LmjF33.0312
Descriptor: Heat shock protein 83-1, SULFATE ION
Authors:Wernimont, A.K, Tempel, W, Walker, J, Lin, Y.H, Hutchinson, A, Mackenzie, F, Fairlamb, A, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-05-21
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the middle and carboxy-terminal domain of HSP90 from Leishmania major, LMJF33.0312
To be Published
2Y82
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BU of 2y82 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
Descriptor: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y8R
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BU of 2y8r by Molmil
Crystal structure of apo AMA1 mutant (Tyr230Ala) from Toxoplasma gondii
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, APICAL MEMBRANE ANTIGEN, PUTATIVE
Authors:Tonkin, M.L, Roques, M, Lamarque, M.H, Pugniere, M, Douguet, D, Crawford, J, Lebrun, M, Boulanger, M.J.
Deposit date:2011-02-10
Release date:2011-08-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Host Cell Invasion by Apicomplexan Parasites: Insights from the Co-Structure of Ama1 with a Ron2 Peptide
Science, 333, 2011
2YE1
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BU of 2ye1 by Molmil
X-ray structure of the cyan fluorescent proteinmTurquoise-GL (K206A mutant)
Descriptor: GREEN FLUORESCENT PROTEIN, MAGNESIUM ION
Authors:von Stetten, D, Noirclerc-Savoye, M, Goedhart, J, Gadella, T.W.J, Royant, A.
Deposit date:2011-03-25
Release date:2012-04-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Characterization of the Cyan Fluorescent Protein Mturquoise-Gl
To be Published
3HKF
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BU of 3hkf by Molmil
Murine unglycosylated IgG Fc fragment
Descriptor: CHLORIDE ION, Igh protein, MAGNESIUM ION
Authors:Feige, M.J, Nath, S, Catharino, S.R, Weinfurtner, D, Steinbacher, S, Buchner, J.
Deposit date:2009-05-23
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the murine unglycosylated IgG1 Fc fragment
J.Mol.Biol., 391, 2009
3HHA
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BU of 3hha by Molmil
Crystal structure of cathepsin L in complex with AZ12878478
Descriptor: ACETATE ION, Cathepsin L1, GLYCEROL, ...
Authors:Asaad, N, Bethel, P.A, Coulson, M.D, Dawson, J, Ford, S.J, Gerhardt, S, Grist, M, Hamlin, G.A, James, M.J, Jones, E.V, Karoutchi, G.I, Kenny, P.W, Morley, A.D, Oldham, K, Rankine, N, Ryan, D, Wells, S.L, Wood, L, Augustin, M, Krapp, S, Simader, H, Steinbacher, S.
Deposit date:2009-05-15
Release date:2009-06-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Dipeptidyl nitrile inhibitors of Cathepsin L.
Bioorg.Med.Chem.Lett., 19, 2009
2YW6
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BU of 2yw6 by Molmil
Structural studies of N terminal deletion mutant of Dps from Mycobacterium smegmatis
Descriptor: DNA protection during starvation protein
Authors:Roy, S, Saraswathi, R, Gupta, S, Sekar, K, Chatterji, D, Vijayan, M.
Deposit date:2007-04-19
Release date:2007-07-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Role of N and C-terminal Tails in DNA Binding and Assembly in Dps: Structural Studies of Mycobacterium smegmatis Dps Deletion Mutants
J.Mol.Biol., 370, 2007
2Y81
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BU of 2y81 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
Descriptor: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
3HJL
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BU of 3hjl by Molmil
The structure of full-length FliG from Aquifex aeolicus
Descriptor: Flagellar motor switch protein fliG
Authors:Lee, L.K, Ginsburg, M.A, Crovace, C, Donohoe, M, Stock, D.
Deposit date:2009-05-22
Release date:2010-08-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the torque ring of the flagellar motor and the molecular basis for rotational switching
Nature, 466, 2010

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