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PDB: 680 件
7KDZ
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BU of 7kdz by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to TP-238
分子名称: 1,2-ETHANEDIOL, 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2020-10-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development
Organic & Biomolecular Chemistry, 18(27), 2020
1I7D
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BU of 1i7d by Molmil
NONCOVALENT COMPLEX OF E.COLI DNA TOPOISOMERASE III WITH AN 8-BASE SINGLE-STRANDED DNA OLIGONUCLEOTIDE
分子名称: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA TOPOISOMERASE III, ...
著者Changela, A, DiGate, R.J, Mondragon, A.
登録日2001-03-08
公開日2001-06-29
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of a complex of a type IA DNA topoisomerase with a single-stranded DNA molecule.
Nature, 411, 2001
1I9T
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BU of 1i9t by Molmil
CRYSTAL STRUCTURE OF THE OXIDIZED RNA TRIPHOSPHATASE DOMAIN OF MOUSE MRNA CAPPING ENZYME
分子名称: CACODYLATE ION, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
著者Changela, A, Ho, C.K, Martins, A, Shuman, S, Mondragon, A.
登録日2001-03-20
公開日2001-05-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and mechanism of the RNA triphosphatase component of mammalian mRNA capping enzyme.
EMBO J., 20, 2001
7K6R
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BU of 7k6r by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to GSK4027
分子名称: 1,2-ETHANEDIOL, 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2020-09-21
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020
7K6S
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BU of 7k6s by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174)
分子名称: (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Chan, A, Schonbrunn, E.
登録日2020-09-21
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020
7KDW
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BU of 7kdw by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 6 (HZ01052)
分子名称: 1,2-ETHANEDIOL, Nucleosome-remodeling factor subunit BPTF, cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone
著者Chan, A, Schonbrunn, E.
登録日2020-10-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development
Organic and Biomolecular Chemistry, 18(27), 2020
2XEU
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BU of 2xeu by Molmil
Ring domain
分子名称: RING FINGER PROTEIN 4, SULFATE ION, ZINC ION, ...
著者Plechanovova, A, McMahon, S.A, Johnson, K.A, Navratilova, I, Naismith, J.H, Hay, R.T.
登録日2010-05-18
公開日2010-07-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanism of Ubiquitylation by Dimeric Ring Ligase Rnf4
Nat.Struct.Mol.Biol., 18, 2011
7F80
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BU of 7f80 by Molmil
Co-crystal structure of Inhibitor compound MA-211 in complex with human PPARdelta LBD
分子名称: (3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid, Peroxisome proliferator-activated receptor delta
著者Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N.
登録日2021-06-30
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD
To Be Published
2LA5
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BU of 2la5 by Molmil
RNA Duplex-Quadruplex Junction Complex with FMRP RGG peptide
分子名称: Fragile X mental retardation 1 protein, RNA (36-MER)
著者Phan, A, Kuryavyi, V, Darnell, J, Serganov, A, Majumdar, A, Ilin, S, Darnell, R, Patel, D.
登録日2011-03-03
公開日2011-06-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure-function studies of FMRP RGG peptide recognition of an RNA duplex-quadruplex junction.
Nat.Struct.Mol.Biol., 18, 2011
5XMX
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BU of 5xmx by Molmil
Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD
分子名称: (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid, Peroxisome proliferator-activated receptor delta
著者Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N.
登録日2017-05-16
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel highly selective peroxisome proliferator-activated receptor delta (PPAR delta) modulators with pharmacokinetic properties suitable for once-daily oral dosing.
Bioorg. Med. Chem. Lett., 27, 2017
3PIQ
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BU of 3piq by Molmil
Crystal structure of human 2909 Fab, a quaternary structure-specific antibody against HIV-1
分子名称: Human monoclonal antibody 2909 Fab heavy chain, Human monoclonal antibody 2909 Fab light chain
著者Changela, A, Gorny, M.K, Zolla-Pazner, S, Kwong, P.D.
登録日2010-11-07
公開日2011-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.325 Å)
主引用文献Crystal Structure of Human Antibody 2909 Reveals Conserved Features of Quaternary Structure-Specific Antibodies That Potently Neutralize HIV-1.
J.Virol., 85, 2011
2H3H
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BU of 2h3h by Molmil
Crystal structure of the liganded form of Thermotoga maritima glucose binding protein
分子名称: Sugar ABC transporter, periplasmic sugar-binding protein, beta-D-glucopyranose
著者Changela, A, Tian, Y.
登録日2006-05-22
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of robust glucose biosensors using a Thermotoga maritima periplasmic glucose-binding protein.
Protein Sci., 16, 2007
4AP4
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BU of 4ap4 by Molmil
Rnf4 - ubch5a - ubiquitin heterotrimeric complex
分子名称: E3 UBIQUITIN LIGASE RNF4, UBIQUITIN C, UBIQUITIN-CONJUGATING ENZYME E2 D1, ...
著者Plechanovova, A, Hay, R.T, Tatham, M.H, Jaffray, E, Naismith, J.H.
登録日2012-03-30
公開日2012-07-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of a Ring E3 Ligase and Ubiquitin-Loaded E2 Primed for Catalysis
Nature, 489, 2012
2O19
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BU of 2o19 by Molmil
Structure of E. coli topoisomersae III in complex with an 8-base single stranded oligonucleotide. Frozen in glycerol at pH 5.5
分子名称: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', ACETIC ACID, CHLORIDE ION, ...
著者Changela, A, DiGate, R, Mondragon, A.
登録日2006-11-28
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
1IAZ
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BU of 1iaz by Molmil
EQUINATOXIN II
分子名称: EQUINATOXIN II, SULFATE ION
著者Athanasiadis, A, Anderluh, G, Macek, P, Turk, D.
登録日2001-03-24
公開日2001-04-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the soluble form of equinatoxin II, a pore-forming toxin from the sea anemone Actinia equina.
Structure, 9, 2001
2O59
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BU of 2o59 by Molmil
Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glycerol pH 8.0
分子名称: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', ACETIC ACID, CHLORIDE ION, ...
著者Changela, A, DiGate, R.J, Mondragon, A.
登録日2006-12-05
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
2O5C
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BU of 2o5c by Molmil
Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glucose pH 5.5
分子名称: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA topoisomerase 3, ...
著者Changela, A, DiGate, R.J, Mondragon, A.
登録日2006-12-05
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
2O5E
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BU of 2o5e by Molmil
Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glucose pH 7.0
分子名称: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA topoisomerase 3, ...
著者Changela, A, DiGate, R.J, Mondragon, A.
登録日2006-12-05
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
2O54
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BU of 2o54 by Molmil
Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glycerol at pH 7.0
分子名称: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', ACETIC ACID, CHLORIDE ION, ...
著者Changela, A, Digate, R.J, Mondragon, A.
登録日2006-12-05
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
4JMQ
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BU of 4jmq by Molmil
Crystal structure of pb9: The Dit of bacteriophage T5.
分子名称: Bacteriophage T5 distal tail protein
著者Flayhan, A, Vellieux, F.M.D, Girard, E, Maury, O, Boulanger, P, Breyton, C.
登録日2013-03-14
公開日2013-11-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Crystal Structure of pb9, the Distal Tail Protein of Bacteriophage T5: a Conserved Structural Motif among All Siphophages.
J.Virol., 88, 2014
4KA4
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BU of 4ka4 by Molmil
Crystal structure of a proteolytically defined Zbeta domain of human DAI (ZBP1, DLM-1)
分子名称: DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Z-DNA-binding protein 1
著者Athanasiadis, A, de Rosa, M, De Sanctis, D.
登録日2013-04-22
公開日2013-05-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a proteolytically defined Zbeta domain of human DAI (ZBP1, DLM-1)
To be Published
6IF7
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BU of 6if7 by Molmil
Crystal Structure of AA10 Lytic Polysaccharide Monooxygenase from Tectaria macrodonta
分子名称: COPPER (II) ION, Chitin binding protein, GLYCEROL, ...
著者Archana, A, Yadav, S.K, Singh, P.K, Vasudev, P.G.
登録日2018-09-18
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insecticidal fern protein Tma12 is possibly a lytic polysaccharide monooxygenase.
Planta, 249, 2019
2N0R
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BU of 2n0r by Molmil
RNA structure determination by solid-state NMR spectroscopy
分子名称: RNA (5'-R(*GP*CP*UP*GP*AP*GP*CP*UP*CP*GP*AP*AP*AP*GP*AP*GP*CP*AP*AP*UP*GP*AP*UP*GP*UP*C)-3')
著者Marchanka, A, Simon, B, Althoff-Ospelt, G, Carlomagno, T.
登録日2015-03-12
公開日2015-05-20
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献RNA structure determination by solid-state NMR spectroscopy.
Nat Commun, 6, 2015
3KOV
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BU of 3kov by Molmil
Structure of MEF2A bound to DNA reveals a completely folded MADS-box/MEF2 domain that recognizes DNA and recruits transcription co-factors
分子名称: DNA (5'-D(*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte-specific enhancer factor 2A
著者Wu, Y, Dey, R, Han, A, Jayathilaka, N, Philips, M, Ye, J, Chen, L.
登録日2009-11-14
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the MADS-box/MEF2 Domain of MEF2A Bound to DNA and Its Implication for Myocardin Recruitment.
J.Mol.Biol., 397, 2010
7ONS
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BU of 7ons by Molmil
PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16)
分子名称: 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021

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