4GIL
 
 | | Crystal Structure of Pseudouridine Monophosphate Glycosidase/Linear Pseudouridine 5'-Phosphate Adduct | | Descriptor: | MANGANESE (II) ION, Pseudouridine-5'-phosphate glycosidase, pseudouridine 5'-phosphate, ... | | Authors: | Huang, S, Mahanta, N, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.539 Å) | | Cite: | Pseudouridine monophosphate glycosidase: a new glycosidase mechanism.
Biochemistry, 51, 2012
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2G88
 | | MSRECA-dATP COMPLEX | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ... | | Authors: | Krishna, R, Manjunath, G.P, Kumar, P, Surolia, A, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2006-03-02 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystallographic identification of an ordered C-terminal domain and a second nucleotide-binding site in RecA: new insights into allostery.
Nucleic Acids Res., 34, 2006
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2LC5
 | | Calmodulin-like Protein from Entamoeba histolytica: Solution Structure and Calcium-Binding Properties of a Partially Folded Protein | | Descriptor: | CALCIUM ION, Calmodulin, putative | | Authors: | Rout, A.K, Padhan, N, Barnwal, R.P, Bhattacharya, A, Chary, K.V. | | Deposit date: | 2011-04-23 | | Release date: | 2011-06-08 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Calmodulin like protein from Entamoeba histolytica: solution structure and calcium binding properties of a partially folded protein.
Biochemistry, 50, 2010
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1MO6
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2RAL
 | | Crystal Structure Analysis of double cysteine mutant of S.epidermidis adhesin SdrG: Evidence for the Dock,Lock and Latch ligand binding mechanism | | Descriptor: | Serine-aspartate repeat-containing protein G | | Authors: | Ponnuraj, K, Sthanam, N, Bowden, M.G, Hook, M. | | Deposit date: | 2007-09-17 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Evidence for the "dock, lock, and latch" ligand binding mechanism of the staphylococcal microbial surface component recognizing adhesive matrix molecules (MSCRAMM) SdrG.
J.Biol.Chem., 283, 2008
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3VS7
 | | Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kuratani, M, Honda, K, Niwa, H, Toyama, M, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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3VS1
 | | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea | | Descriptor: | 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kuratani, M, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.464 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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3VS4
 | | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Descriptor: | 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.747 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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3VUZ
 | | Crystal structure of histone methyltransferase SET7/9 in complex with AAM-1 | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase SETD7 | | Authors: | Niwa, H, Handa, N, Tomabechi, Y, Honda, K, Toyama, M, Ohsawa, N, Shirouzu, M, Kagechika, H, Hirano, T, Umehara, T, Yokoyama, S. | | Deposit date: | 2012-07-10 | | Release date: | 2013-03-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of histone methyltransferase SET7/9 in complexes with adenosylmethionine derivatives
Acta Crystallogr.,Sect.D, 69, 2013
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3VS0
 | | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide | | Descriptor: | CALCIUM ION, CHLORIDE ION, N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide, ... | | Authors: | Kuratani, M, Honda, K, Tomabechi, Y, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.934 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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3VV0
 | | Crystal structure of histone methyltransferase SET7/9 in complex with DAAM-3 | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase SETD7 | | Authors: | Niwa, H, Handa, N, Tomabechi, Y, Honda, K, Toyama, M, Ohsawa, N, Shirouzu, M, Kagechika, H, Hirano, T, Umehara, T, Yokoyama, S. | | Deposit date: | 2012-07-10 | | Release date: | 2013-03-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structures of histone methyltransferase SET7/9 in complexes with adenosylmethionine derivatives
Acta Crystallogr.,Sect.D, 69, 2013
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3VS6
 | | Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Tyrosine-protein kinase HCK, ... | | Authors: | Kuratani, M, Honda, K, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.373 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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3VS3
 | | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Descriptor: | 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kuratani, M, Tomaebchi, Y, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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4LUD
 | | Crystal Structure of HCK in complex with the fluorescent compound SKF86002 | | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-25 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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3VS5
 | | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Descriptor: | 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, Tyrosine-protein kinase HCK | | Authors: | Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.851 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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2NWB
 | | Crystal Structure of a Putative 2,3-dioxygenase (SO4414) from Shewanella oneidensis in complex with ferric heme. Northeast Structural Genomics Target SoR52. | | Descriptor: | Conserved domain protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Seetharaman, J, Bruckmann, C, Thackray, S.J, Khan, N, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Ma, L.C, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4LM5
 | | Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002) | | Descriptor: | 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-10 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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2ODN
 | | MSRECA-dATP complex | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Protein recA | | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2006-12-24 | | Release date: | 2007-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
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2OE2
 | | MSrecA-native-low humidity 95% | | Descriptor: | PHOSPHATE ION, Protein recA | | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2006-12-28 | | Release date: | 2007-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
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1ODX
 | | HIV-1 Proteinase mutant A71T, V82A | | Descriptor: | HIV-1 PROTEASE, di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate | | Authors: | Kervinen, J, Thanki, N, Zdanov, A, Wlodawer, A. | | Deposit date: | 1996-09-16 | | Release date: | 1997-04-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Analysis of the Native and Drug-Resistant HIV-1 Proteinases Complexed with an Aminodiol Inhibitor
Protein Pept.Lett., 3, 1996
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3UG2
 | | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with gefitinib | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, Gefitinib | | Authors: | Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2011-11-02 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor
Oncogene, 32, 2013
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3UMW
 | | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one | | Descriptor: | (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one, GLYCEROL, Proto-oncogene serine/threonine-protein kinase pim-1, ... | | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | | Deposit date: | 2011-11-14 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound.
J.Med.Chem., 55, 2012
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7JLD
 | | Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J22 immobile Holliday junction with R3 symmetry | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*TP*GP*AP*CP*GP*GP*CP*GP*AP*CP*TP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*G)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2020-07-29 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.163 Å) | | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
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7JLA
 | | Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J16 immobile Holliday junction with R3 symmetry | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*GP*TP*GP*AP*CP*GP*CP*CP*GP*AP*CP*TP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*G)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2020-07-29 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
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7JLF
 | | Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J24 immobile Holliday junction with R3 symmetry | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*AP*GP*AP*CP*GP*TP*CP*GP*AP*CP*TP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*G)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2020-07-29 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.909 Å) | | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
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