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3U86
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Crystal structure of human menin in complex with JunD
分子名称: Menin, Transcription factor jun-D
著者Huang, J, Wan, B, Lei, M.
登録日2011-10-15
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.843 Å)
主引用文献The same pocket in menin binds both MLL and JUND but has opposite effects on transcription.
Nature, 482, 2012
3HM5
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BU of 3hm5 by Molmil
SANT domain of human DNA methyltransferase 1 associated protein 1
分子名称: CALCIUM ION, DNA methyltransferase 1-associated protein 1, UNKNOWN ATOM OR ION
著者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)
登録日2009-05-28
公開日2009-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SANT domain of human DNA methyltransferase 1 associated protein 1
To be Published
1X75
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CcdB:GyrA14 complex
分子名称: Cytotoxic protein ccdB, DNA gyrase subunit A
著者Dao-Thi, M.H, Van Melderen, L, De Genst, E, Wyns, L, Loris, R.
登録日2004-08-13
公開日2005-05-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular Basis of Gyrase Poisoning by the Addiction Toxin CcdB
J.Mol.Biol., 348, 2005
1U71
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BU of 1u71 by Molmil
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
分子名称: 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, SULFATE ION
著者Cody, V, Luft, J.R, Pangborn, W.
登録日2004-08-02
公開日2005-02-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
2AXZ
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BU of 2axz by Molmil
Crystal structure of PrgX/cCF10 complex
分子名称: LVTLVFV peptide, PrgX, TPPKEVT(MSE) peptide
著者Shi, K, Brown, C.K, Gu, Z.Y, Kozlowicz, B.K, Dunny, G.M, Ohlendorf, D.H, Earhart, C.A.
登録日2005-09-06
公開日2005-12-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
2AXV
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BU of 2axv by Molmil
Structure of PrgX Y153C mutant
分子名称: PrgX
著者Shi, K, Brown, C.K, Gu, Z.Y, Kozlowicz, B.K, Dunny, G.M, Ohlendorf, D.H, Earhart, C.A.
登録日2005-09-06
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
4E28
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BU of 4e28 by Molmil
Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor
分子名称: 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, ...
著者Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P.
登録日2012-03-07
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase.
J.Med.Chem., 55, 2012
2AW6
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Structure of a bacterial peptide pheromone/receptor complex and its mechanism of gene regulation
分子名称: PrgX, peptide
著者Shi, K, Brown, C.K, Gu, Z.Y, Kozlowicz, B.K, Dunny, G.M, Ohlendorf, D.H, Earhart, C.A.
登録日2005-08-31
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
2W3B
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BU of 2w3b by Molmil
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)
分子名称: 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, FOLIC ACID, ...
著者Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
登録日2008-11-11
公開日2009-11-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
5E0L
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BU of 5e0l by Molmil
LC8 - Chica (415-424) Complex
分子名称: Dynein light chain 1, cytoplasmic, Protein Chica peptide, ...
著者Clark, S.A, Barbar, E.B, Karplus, P.A.
登録日2015-09-29
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献The Anchored Flexibility Model in LC8 Motif Recognition: Insights from the Chica Complex.
Biochemistry, 55, 2016
2W3M
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HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND FOLATE
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
登録日2008-11-13
公開日2009-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
4PM3
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BU of 4pm3 by Molmil
Structure of the double-stranded DNA binding type IV secretion protein TraN from Enterococcus
分子名称: AM32, BROMIDE ION, PLATINUM (II) ION
著者Goessweiner-Mohr, N, Keller, W.
登録日2014-05-20
公開日2014-07-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the double-stranded DNA binding type IV secretion protein TraN from Enterococcus
ACTA CRYSTALLOGR.,SECT.D, 70, 2014
5E0M
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LC8 - Chica (468-476) Complex
分子名称: Dynein light chain 1, cytoplasmic, Protein Chica peptide, ...
著者Clark, S.A, Barbar, E.B, Karplus, P.A.
登録日2015-09-29
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Anchored Flexibility Model in LC8 Motif Recognition: Insights from the Chica Complex.
Biochemistry, 55, 2016
3GV6
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BU of 3gv6 by Molmil
Crystal Structure of human chromobox homolog 6 (CBX6) with H3K9 peptide
分子名称: Chromobox protein homolog 6, Histone H3K9me3 peptide
著者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)
登録日2009-03-30
公開日2009-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
4YNA
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BU of 4yna by Molmil
Oxidized YfiR
分子名称: SULFATE ION, YfiR
著者Xu, M, Jiang, T.
登録日2015-03-09
公開日2015-04-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of YfiR from Pseudomonas aeruginosa in two redox states
Biochem.Biophys.Res.Commun., 461, 2015
4YN9
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YfiR mutant-C110S
分子名称: SULFATE ION, YfiR
著者Xu, M, Jiang, T.
登録日2015-03-09
公開日2015-04-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of YfiR from Pseudomonas aeruginosa in two redox states
Biochem.Biophys.Res.Commun., 461, 2015
2KVG
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BU of 2kvg by Molmil
Structure of the three-Cys2His2 domain of mouse testis zinc finger protein
分子名称: ZINC ION, Zinc finger and BTB domain-containing protein 32
著者Chou, C.-C, Lou, Y.-C, Chen, C.
登録日2010-03-15
公開日2010-04-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and DNA binding characteristics of the three-Cys(2)His(2) domain of mouse testis zinc finger protein.
Proteins, 78, 2010
3NXT
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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
分子名称: 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V.
登録日2010-07-14
公開日2010-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
3NZD
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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
分子名称: 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
著者Cody, V.
登録日2010-07-16
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
3NU0
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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
分子名称: (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, ...
著者Cody, V.
登録日2010-07-06
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献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
4Z58
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HipB-O3 20mer complex
分子名称: 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')
著者Min, J, Brennan, R.G, Schumacher, M.A.
登録日2015-04-02
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism on hipBA gene regulation.
To be published
8G57
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BU of 8g57 by Molmil
Structure of nucleosome-bound Sirtuin 6 deacetylase
分子名称: DNA strand 1, DNA strand 2, Histone H2A type 1-B/E, ...
著者Chio, U.S, Rechiche, O, Bryll, A.R, Zhu, J, Feldman, J.L, Peterson, C.L, Tan, S, Armache, J.-P.
登録日2023-02-11
公開日2023-04-26
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Cryo-EM structure of the human Sirtuin 6-nucleosome complex.
Sci Adv, 9, 2023
3NXO
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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
分子名称: 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, ...
著者Cody, V.
登録日2010-07-14
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献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
3NXV
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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
分子名称: 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, ...
著者Cody, V.
登録日2010-07-14
公開日2010-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
4O8A
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BU of 4o8a by Molmil
First structure of a proline utilization A proline dehydrogenase domain
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Tanner, J.J.
登録日2013-12-26
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the proline dehydrogenase domain of the multifunctional PutA flavoprotein.
Nat.Struct.Biol., 10, 2003

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