3U86
 
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3HM5
 | | SANT domain of human DNA methyltransferase 1 associated protein 1 | | Descriptor: | CALCIUM ION, DNA methyltransferase 1-associated protein 1, UNKNOWN ATOM OR ION | | Authors: | Dombrovski, L, Tempel, W, Amaya, M.F, Tong, Y, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Park, H, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-05-28 | | Release date: | 2009-06-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | SANT domain of human DNA methyltransferase 1 associated protein 1
To be Published
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1X75
 | | CcdB:GyrA14 complex | | Descriptor: | Cytotoxic protein ccdB, DNA gyrase subunit A | | Authors: | Dao-Thi, M.H, Van Melderen, L, De Genst, E, Wyns, L, Loris, R. | | Deposit date: | 2004-08-13 | | Release date: | 2005-05-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular Basis of Gyrase Poisoning by the Addiction Toxin CcdB
J.Mol.Biol., 348, 2005
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1U71
 | | Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase Ternary Crystal Complexes with Methotrexate and NADPH | | Descriptor: | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, SULFATE ION | | Authors: | Cody, V, Luft, J.R, Pangborn, W. | | Deposit date: | 2004-08-02 | | Release date: | 2005-02-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Understanding the role of Leu22 variants in methotrexate resistance: comparison of wild-type and Leu22Arg variant mouse and human dihydrofolate reductase ternary crystal complexes with methotrexate and NADPH.
Acta Crystallogr.,Sect.D, 61, 2005
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2AXZ
 | | Crystal structure of PrgX/cCF10 complex | | Descriptor: | LVTLVFV peptide, PrgX, TPPKEVT(MSE) peptide | | Authors: | Shi, K, Brown, C.K, Gu, Z.Y, Kozlowicz, B.K, Dunny, G.M, Ohlendorf, D.H, Earhart, C.A. | | Deposit date: | 2005-09-06 | | Release date: | 2005-12-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of peptide sex pheromone receptor PrgX and PrgX/pheromone complexes and regulation of conjugation in Enterococcus faecalis.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2AXV
 | | Structure of PrgX Y153C mutant | | Descriptor: | PrgX | | Authors: | Shi, K, Brown, C.K, Gu, Z.Y, Kozlowicz, B.K, Dunny, G.M, Ohlendorf, D.H, Earhart, C.A. | | Deposit date: | 2005-09-06 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of peptide sex pheromone receptor PrgX and PrgX/pheromone complexes and regulation of conjugation in Enterococcus faecalis.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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4E28
 | | Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor | | Descriptor: | 2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, SULFATE ION, ... | | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | | Deposit date: | 2012-03-07 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase.
J.Med.Chem., 55, 2012
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2AW6
 | | Structure of a bacterial peptide pheromone/receptor complex and its mechanism of gene regulation | | Descriptor: | PrgX, peptide | | Authors: | Shi, K, Brown, C.K, Gu, Z.Y, Kozlowicz, B.K, Dunny, G.M, Ohlendorf, D.H, Earhart, C.A. | | Deposit date: | 2005-08-31 | | Release date: | 2005-12-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of peptide sex pheromone receptor PrgX and PrgX/pheromone complexes and regulation of conjugation in Enterococcus faecalis.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2W3B
 | | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR MYCOBACTERIUM AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686) | | Descriptor: | 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, FOLIC ACID, ... | | Authors: | Leung, A.K.W, Reynolds, R.C, Borhani, D.W. | | Deposit date: | 2008-11-11 | | Release date: | 2009-11-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
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5E0L
 | | LC8 - Chica (415-424) Complex | | Descriptor: | Dynein light chain 1, cytoplasmic, Protein Chica peptide, ... | | Authors: | Clark, S.A, Barbar, E.B, Karplus, P.A. | | Deposit date: | 2015-09-29 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | The Anchored Flexibility Model in LC8 Motif Recognition: Insights from the Chica Complex.
Biochemistry, 55, 2016
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2W3M
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4PM3
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5E0M
 | | LC8 - Chica (468-476) Complex | | Descriptor: | Dynein light chain 1, cytoplasmic, Protein Chica peptide, ... | | Authors: | Clark, S.A, Barbar, E.B, Karplus, P.A. | | Deposit date: | 2015-09-29 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Anchored Flexibility Model in LC8 Motif Recognition: Insights from the Chica Complex.
Biochemistry, 55, 2016
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3GV6
 | | Crystal Structure of human chromobox homolog 6 (CBX6) with H3K9 peptide | | Descriptor: | Chromobox protein homolog 6, Histone H3K9me3 peptide | | Authors: | Dong, A, Amaya, M.F, Li, Z, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-03-30 | | Release date: | 2009-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
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4YNA
 | | Oxidized YfiR | | Descriptor: | SULFATE ION, YfiR | | Authors: | Xu, M, Jiang, T. | | Deposit date: | 2015-03-09 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of YfiR from Pseudomonas aeruginosa in two redox states
Biochem.Biophys.Res.Commun., 461, 2015
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4YN9
 | | YfiR mutant-C110S | | Descriptor: | SULFATE ION, YfiR | | Authors: | Xu, M, Jiang, T. | | Deposit date: | 2015-03-09 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structures of YfiR from Pseudomonas aeruginosa in two redox states
Biochem.Biophys.Res.Commun., 461, 2015
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2KVG
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3NXT
 | | Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E-and Z-isomers of a Series of 5-substituted 2,4-diaminofuro[2m,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | | Descriptor: | 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cody, V. | | Deposit date: | 2010-07-14 | | Release date: | 2010-12-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
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3NZD
 | | Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five 5-(omega-carboxy(alkyloxy(pyrido[2,3-d]pyrimidine Derivatives | | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate | | Authors: | Cody, V. | | Deposit date: | 2010-07-16 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of Pneumocystis carinii and human DHFR complexes with
NADPH and a series of five potent
6-[5'-([omega]-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives
Acta Crystallogr.,Sect.D, 67, 2011
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3NU0
 | | Design, Synthesis, Biological Evaluation and X-ray Crystal Structure of Novel Classical 6,5,6-TricyclicBenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors | | Descriptor: | (2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid, Dihydrofolate reducatase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cody, V. | | Deposit date: | 2010-07-06 | | Release date: | 2011-05-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011
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4Z58
 | | HipB-O3 20mer complex | | Descriptor: | Antitoxin HipB, DNA (5'-D(*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*TP*AP*CP*GP*GP*GP*AP*TP*AP*A)-3') | | Authors: | Min, J, Brennan, R.G, Schumacher, M.A. | | Deposit date: | 2015-04-02 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mechanism on hipBA gene regulation.
To be published
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8G57
 | | Structure of nucleosome-bound Sirtuin 6 deacetylase | | Descriptor: | DNA strand 1, DNA strand 2, Histone H2A type 1-B/E, ... | | Authors: | Chio, U.S, Rechiche, O, Bryll, A.R, Zhu, J, Feldman, J.L, Peterson, C.L, Tan, S, Armache, J.-P. | | Deposit date: | 2023-02-11 | | Release date: | 2023-04-26 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Cryo-EM structure of the human Sirtuin 6-nucleosome complex.
Sci Adv, 9, 2023
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3NXO
 | | Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | | Descriptor: | 5-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cody, V. | | Deposit date: | 2010-07-14 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
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3NXV
 | | Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | | Descriptor: | 5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cody, V. | | Deposit date: | 2010-07-14 | | Release date: | 2010-12-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
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4O8A
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