1G18
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![BU of 1g18 by Molmil](/molmil-images/mine/1g18) | RECA-ADP-ALF4 COMPLEX | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RECA PROTEIN, TETRAFLUOROALUMINATE ION | Authors: | Datta, S, Prabu, M.M, Vaze, M.B, Ganesh, N, Chandra, N.R, Muniyappa, K, Vijayan, M, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2000-10-11 | Release date: | 2000-12-11 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Crystal structures of Mycobacterium tuberculosis RecA and its complex with ADP-AlF(4): implications for decreased ATPase activity and molecular aggregation Nucleic Acids Res., 28, 2000
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2OEP
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![BU of 2oep by Molmil](/molmil-images/mine/2oep) | MSrecA-ADP-complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Protein recA | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2006-12-31 | 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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2OFO
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![BU of 2ofo by Molmil](/molmil-images/mine/2ofo) | MSrecA-native | 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: | 2007-01-04 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.16 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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2GSC
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![BU of 2gsc by Molmil](/molmil-images/mine/2gsc) | Crystal Structure of the Conserved Hypothetical Cytosolic Protein Xcc0516 from Xanthomonas campestris | Descriptor: | Putative uncharacterized protein XCC0516 | Authors: | Lin, L.Y, Ching, C.L, Chin, K.H, Chou, S.H, Chan, N.L. | Deposit date: | 2006-04-26 | Release date: | 2006-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of the conserved hypothetical cytosolic protein Xcc0516 from Xanthomonas campestris reveals a novel quaternary structure assembled by five four-helix bundles. Proteins, 65, 2006
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1ODX
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![BU of 1odx by Molmil](/molmil-images/mine/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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2AN6
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![BU of 2an6 by Molmil](/molmil-images/mine/2an6) | Protein-peptide complex | Descriptor: | Ubiquitin ligase SIAH1A, ZINC ION, peptide from Phyllopod | Authors: | House, C.M, Hancock, N.C, Moller, A, Cromer, B.A, Fedorov, V, Bowtell, D.D.L, Parker, M.W, Polekhina, G. | Deposit date: | 2005-08-11 | Release date: | 2006-05-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Elucidation of the substrate binding site of Siah ubiquitin ligase Structure, 14, 2006
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8JQT
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![BU of 8jqt by Molmil](/molmil-images/mine/8jqt) | Crystal structure of U03-GPAKGIEYD | Descriptor: | Beta-2-microglobulin, MHC class I antigen alpha chain, peptide of AIV | Authors: | Tang, Z, Zhang, N. | Deposit date: | 2023-06-14 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of duck MHC U03 To Be Published
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4Q26
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![BU of 4q26 by Molmil](/molmil-images/mine/4q26) | |
4Q1P
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![BU of 4q1p by Molmil](/molmil-images/mine/4q1p) | |
4Q1R
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![BU of 4q1r by Molmil](/molmil-images/mine/4q1r) | Galectin-1 in Complex with Ligand AN027 | Descriptor: | Galectin-1, SULFATE ION, propyl 2-(acetylamino)-2-deoxy-4-O-[3-O-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside | Authors: | Grimm, C, Bertleff-Zieschang, N. | Deposit date: | 2014-04-04 | Release date: | 2015-10-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Galectin-1 in Complex with Ligand AN027 To be Published
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3T6Y
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![BU of 3t6y by Molmil](/molmil-images/mine/3t6y) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-29 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3T64
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![BU of 3t64 by Molmil](/molmil-images/mine/3t64) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-28 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3T60
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![BU of 3t60 by Molmil](/molmil-images/mine/3t60) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-28 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3UG1
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![BU of 3ug1 by Molmil](/molmil-images/mine/3ug1) | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in the apo form | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor | 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 (2.75 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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3UMX
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![BU of 3umx by Molmil](/molmil-images/mine/3umx) | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one | Descriptor: | (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one, Proto-oncogene serine/threonine-protein kinase pim-1, SULFATE ION | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | Deposit date: | 2011-11-15 | Release date: | 2012-08-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor Acta Crystallogr.,Sect.F, 68, 2012
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3T70
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![BU of 3t70 by Molmil](/molmil-images/mine/3t70) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-29 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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3VS1
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![BU of 3vs1 by Molmil](/molmil-images/mine/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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3UG2
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![BU of 3ug2 by Molmil](/molmil-images/mine/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
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![BU of 3umw by Molmil](/molmil-images/mine/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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3VS4
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![BU of 3vs4 by Molmil](/molmil-images/mine/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
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![BU of 3vuz by Molmil](/molmil-images/mine/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
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![BU of 3vs0 by Molmil](/molmil-images/mine/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
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![BU of 3vv0 by Molmil](/molmil-images/mine/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
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![BU of 3vs6 by Molmil](/molmil-images/mine/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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3VS5
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![BU of 3vs5 by Molmil](/molmil-images/mine/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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