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1XDD
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BU of 1xdd by Molmil
X-ray structure of LFA-1 I-domain in complex with LFA703 at 2.2A resolution
Descriptor: 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHYL]METHYL}-6-OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-METHYLBUTANOATE, Integrin alpha-L, MAGNESIUM ION
Authors:Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J.
Deposit date:2004-09-06
Release date:2004-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Improved lymphocyte function-associated antigen-1 (LFA-1) inhibition by statin derivatives: molecular basis determined by x-ray analysis and monitoring of LFA-1 conformational changes in vitro and ex vivo
J.Biol.Chem., 279, 2004
1XLY
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BU of 1xly by Molmil
X-RAY STRUCTURE OF THE RNA-BINDING PROTEIN SHE2p
Descriptor: SHE2p
Authors:Niessing, D, Huettelmaier, S, Zenklusen, D, Singer, R.H, Burley, S.K.
Deposit date:2004-09-30
Release date:2004-11-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:She2p is a novel RNA binding protein with a basic helical hairpin motif
Cell(Cambridge,Mass.), 119, 2004
3D08
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BU of 3d08 by Molmil
Human p53 core domain with hot spot mutation R249S and second-site suppressor mutation H168R
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Suad, O, Rozenberg, H, Shimon, L.J.W, Frolow, F, Shakked, Z.
Deposit date:2008-05-01
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations
J.Mol.Biol., 385, 2009
3CM8
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BU of 3cm8 by Molmil
A RNA polymerase subunit structure from virus
Descriptor: Polymerase acidic protein, peptide from RNA-directed RNA polymerase catalytic subunit
Authors:He, X, Zhou, J, Zeng, Z, Ma, J, Zhang, R, Rao, Z, Liu, Y.
Deposit date:2008-03-21
Release date:2008-07-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Crystal structure of the polymerase PAC-PB1N complex from an avian influenza H5N1 virus
Nature, 454, 2008
2A6H
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BU of 2a6h by Molmil
Crystal structure of the T. thermophilus RNA polymerase holoenzyme in complex with antibiotic sterptolydigin
Descriptor: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ...
Authors:Temiakov, D, Zenkin, N, Vassylyeva, M.N, Perederina, A, Tahirov, T.H, Savkina, M, Zorov, S, Nikiforov, V, Igarashi, N, Matsugaki, N, Wakatsuki, S, Severinov, K, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-07-02
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of transcription inhibition by antibiotic streptolydigin.
Mol.Cell, 19, 2005
2R3A
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BU of 2r3a by Molmil
Methyltransferase domain of human suppressor of variegation 3-9 homolog 2
Descriptor: Histone-lysine N-methyltransferase SUV39H2, S-ADENOSYLMETHIONINE, SERINE, ...
Authors:Lunin, V.V, Wu, H, Zeng, H, Ren, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2007-08-29
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
2A39
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HUMICOLA INSOLENS ENDOCELLULASE EGI NATIVE STRUCTURE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I
Authors:Davies, G.J, Sulzenbacher, G, Mackenzie, L, Withers, S.G, Divne, C, Jones, T.A, Woldike, H.F, Schulein, M.
Deposit date:1998-01-30
Release date:1999-02-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the family 7 endoglucanase I (Cel7B) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate.
Biochem.J., 335, 1998
2A14
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Crystal Structure of Human Indolethylamine N-methyltransferase with SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, indolethylamine N-methyltransferase
Authors:Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2005-06-17
Release date:2005-06-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of Human Indolethylamine N-methyltransferase in complex with SAH.
To be Published
2QFK
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BU of 2qfk by Molmil
X-ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned from Amphitrite ornata
Descriptor: AMMONIUM ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:de Serrano, V.S, Chen, Z, Davis, M.F, Franzen, S.
Deposit date:2007-06-27
Release date:2008-07-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray crystal structural analysis of the binding site in the ferric and oxyferrous forms of the recombinant heme dehaloperoxidase cloned from Amphitrite ornata
Acta Crystallogr.,Sect.D, 63, 2007
2ATA
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BU of 2ata by Molmil
Structural Basis of DNA Recognition by p53 Tetramers (complex II)
Descriptor: 5'-D(*AP*AP*GP*GP*CP*AP*TP*GP*CP*CP*TP*T)-3', Cellular tumor antigen p53, ZINC ION
Authors:Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z.
Deposit date:2005-08-24
Release date:2006-07-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of DNA Recognition by p53 Tetramers
Mol.Cell, 22, 2006
2AXL
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BU of 2axl by Molmil
Solution structure of a multifunctional DNA- and protein-binding domain of human Werner syndrome protein
Descriptor: Werner syndrome
Authors:Hu, J.-S, Feng, H, Zeng, W, Lin, G.-X, Xi, X.G.
Deposit date:2005-09-05
Release date:2005-12-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a multifunctional DNA- and protein-binding motif of human Werner syndrome protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2NPT
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BU of 2npt by Molmil
Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox)
Descriptor: Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase kinase kinase 2
Authors:Filippakopoulos, P, Debreczeni, J, Papagrigoriou, V, Turnbull, A, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2006-10-30
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox)
To be Published
2QFN
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X-ray Crystal Structure Analysis of the Binding Site in the Ferric and Oxyferrous Forms of the Recombinant Heme Dehaloperoxidase Cloned from Amphitrite ornata
Descriptor: AMMONIUM ION, Dehaloperoxidase A, OXYGEN MOLECULE, ...
Authors:de Serrano, V, Chen, Z, Davis, M.F, Franzen, S.
Deposit date:2007-06-27
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray crystal structural analysis of the binding site in the ferric and oxyferrous forms of the recombinant heme dehaloperoxidase cloned from Amphitrite ornata
Acta Crystallogr.,Sect.D, 63, 2007
6HO3
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BU of 6ho3 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM43265
Descriptor: 4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
3LB1
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BU of 3lb1 by Molmil
Two-site competitive inhibition in dehaloperoxidase-hemoglobin
Descriptor: 4-IODOPHENOL, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Niccoletti, F.P, Howes, B.D, Smulevich, G.
Deposit date:2010-01-07
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function.
Biophys.J., 99, 2010
2IZR
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BU of 2izr by Molmil
Structure of casein kinase gamma 3 in complex with inhibitor
Descriptor: CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-07-26
Release date:2006-08-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Inhibitor Binding by Casein Kinases
To be Published
1N3H
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BU of 1n3h by Molmil
Coupling of Folding and Binding in the PTB Domain of the Signaling Protein Shc
Descriptor: SHC Transforming protein
Authors:Farooq, A, Zeng, L, Yan, K.S, Ravichandran, K.S, Zhou, M.-M.
Deposit date:2002-10-28
Release date:2003-10-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Coupling of Folding and Binding in the PTB Domain of the Signaling Protein Shc
Structure, 11, 2003
2IZU
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BU of 2izu by Molmil
Structure of casein kinase gamma 3 in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, CASEIN KINASE I ISOFORM GAMMA-3, ...
Authors:Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-07-26
Release date:2006-08-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibitor Binding by Casein Kinases
To be Published
2IZT
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Structure of casein kinase gamma 3 in complex with inhibitor
Descriptor: CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE
Authors:Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-07-26
Release date:2006-08-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitor Binding by Casein Kinases
To be Published
3LJW
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BU of 3ljw by Molmil
Crystal Structure of the Second Bromodomain of Human Polybromo
Descriptor: ACETATE ION, Protein polybromo-1, SODIUM ION
Authors:Charlop-Powers, Z, Zhou, M.M, Zeng, L, Zhang, Q.
Deposit date:2010-01-26
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structural insights into selective histone H3 recognition by the human Polybromo bromodomain 2.
Cell Res., 20, 2010
1NKT
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BU of 1nkt by Molmil
CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEX WITH ADPBS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Preprotein translocase secA 1 subunit
Authors:Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-01-03
Release date:2003-03-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase
Proc.Natl.Acad.Sci.USA, 100, 2003
1NJP
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The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with a tRNA acceptor stem mimic (ASM)
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L16, GENERAL STRESS PROTEIN CTC, ...
Authors:Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A.
Deposit date:2003-01-02
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis of the ribosomal machinery for Peptide bond formation, translocation, and nascent chain progression
Mol.Cell, 11, 2003
2IWI
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BU of 2iwi by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1
Descriptor: RUTHENIUM-PYRIDOCARBAZOLE-1, SERINE/THREONINE-PROTEIN KINASE PIM-2
Authors:Russo, S, Debreczeni, J.E, Amos, A, Bullock, A.N, Fedorov, O, Niesen, F, Sobott, F, Turnbull, A, Pike, A.C.W, Ugochukwu, E, Papagrigoriou, E, Bunkoczi, G, Gorrec, F, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, von Delft, F, Knapp, S.
Deposit date:2006-06-30
Release date:2006-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor.
PLoS ONE, 4, 2009
1NJN
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The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with the antibiotic sparsomycin
Descriptor: 23S ribosomal RNA, SPARSOMYCIN
Authors:Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A.
Deposit date:2003-01-02
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis of the ribosomal machinery for Peptide bond formation, translocation, and nascent chain progression
Mol.Cell, 11, 2003
2JXC
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Structure of the EPS15-EH2 Stonin2 Complex
Descriptor: CALCIUM ION, Epidermal growth factor receptor substrate 15, Stonin-2
Authors:Rumpf, J, Simon, B, Jung, N, Maritzen, T, Haucke, V, Sattler, M, Groemping, Y.
Deposit date:2007-11-12
Release date:2008-01-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the Eps15-stonin2 complex provides a molecular explanation for EH-domain ligand specificity.
Embo J., 27, 2008

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