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2GY7
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Angiopoietin-2/Tie2 Complex Crystal Structure
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barton, W.A, Nikolov, D.B.
登録日2006-05-09
公開日2006-06-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Crystal structures of the Tie2 receptor ectodomain and the angiopoietin-2-Tie2 complex.
Nat.Struct.Mol.Biol., 13, 2006
4DMV
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BU of 4dmv by Molmil
Crystal structure of the GT domain of Clostridium difficile Toxin A
分子名称: Toxin A
著者Malito, E, D'Urzo, N, Bottomley, M.J, Biancucci, M, Maione, D, Scarselli, M, Martinelli, M.
登録日2012-02-08
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of Clostridium difficile toxin A glucosyltransferase domain bound to Mn2+ and UDP provides insights into glucosyltransferase activity and product release.
Febs J., 279, 2012
4EZ2
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Crystal Structure of d(CCGGGACCGG)4 as a four-way junction at 1.6 angstrom resolution
分子名称: 5'-D(*CP*CP*GP*GP*GP*AP*CP*CP*GP*G)-3', SODIUM ION
著者Chakraborty, A, Mandal, P.K, Gautham, N.
登録日2012-05-02
公開日2012-10-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of d(CCGGGACCGG)(4) as a four-way junction at 1.6 A resolution: new insights into solvent interactions.
Acta Crystallogr.,Sect.F, 68, 2012
1ZBK
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Recognition of specific peptide sequences by signalling protein from sheep mammary gland (SPS-40): Crystal structure of the complex of SPS-40 with a peptide Trp-Pro-Trp at 2.9A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3 like protein 1, PEPTIDE TRP-PRO-TRP
著者Srivastava, D.B, Ethayathulla, A.S, Kumar, J, Singh, N, Somvanshi, R.K, Sharma, S, Dey, S, Singh, T.P.
登録日2005-04-08
公開日2005-05-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Recognition of specific peptide sequences by signalling protein from sheep mammary gland (SPS-40): Crystal structure of the complex of SPS-40 with a peptide Trp-Pro-Trp at 2.9A resolution
To be Published
3PJ1
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BU of 3pj1 by Molmil
Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
分子名称: 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
2QRH
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BU of 2qrh by Molmil
Glycogen Phosphorylase b in complex with (1R)-3'-phenylspiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]
分子名称: (5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol, Glycogen phosphorylase, muscle form
著者Kizilis, G, Alexacou, K.-M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G.
登録日2007-07-28
公開日2008-08-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors.
Bioorg.Med.Chem., 17, 2009
3TVB
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BU of 3tvb by Molmil
A Highly Symmetric DNA G-4 Quadruplex/drug Complex
分子名称: DAUNOMYCIN, DNA (5'-D(*GP*GP*GP*G)-3'), MAGNESIUM ION, ...
著者Clark, G.R, Pytel, P.D, Squire, C.J.
登録日2011-09-19
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The high-resolution crystal structure of a parallel intermolecular DNA G-4 quadruplex/drug complex employing syn glycosyl linkages.
Nucleic Acids Res., 40, 2012
4I8G
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BU of 4i8g by Molmil
Bovine trypsin at 0.8 resolution
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A.
登録日2012-12-03
公開日2012-12-19
最終更新日2013-09-18
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
4FAD
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BU of 4fad by Molmil
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
分子名称: 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Greasley, S.E, Knighton, D.R, LaFleur Rogers, C.M.
登録日2012-05-22
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Bioorg.Med.Chem.Lett., 22, 2012
1Z0M
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BU of 1z0m by Molmil
the glycogen-binding domain of the AMP-activated protein kinase beta1 subunit
分子名称: 5'-AMP-activated protein kinase, beta-1 subunit, Cycloheptakis-(1-4)-(alpha-D-glucopyranose)
著者Polekhina, G, Gupta, A, van Denderen, B.J, Feil, S.C, Kemp, B.E, Stapleton, D, Parker, M.W.
登録日2005-03-02
公開日2005-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural Basis for Glycogen Recognition by AMP-Activated Protein Kinase.
Structure, 13, 2005
1Z5G
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Crystal structure of Salmonella typhimurium AphA protein
分子名称: AphA protein, MAGNESIUM ION, PHOSPHATE ION
著者Makde, R.D, Kumar, V.
登録日2005-03-18
公開日2006-03-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and mutational analyses reveal the functional role of active-site Lys-154 and Asp-173 of Salmonella typhimurium AphA protein.
Arch.Biochem.Biophys., 464, 2007
2FUT
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BU of 2fut by Molmil
Crystal Structure of Heparinase II Complexed with a Disaccharide Product
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ZINC ION, heparinase II protein
著者Shaya, D, Cygler, M.
登録日2006-01-27
公開日2006-04-18
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Heparinase II from Pedobacter heparinus and Its Complex with a Disaccharide Product.
J.Biol.Chem., 281, 2006
4LQH
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BU of 4lqh by Molmil
High resolution structure of native frog M ferritin
分子名称: CHLORIDE ION, Ferritin, middle subunit, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-07-18
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4C48
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BU of 4c48 by Molmil
Crystal structure of AcrB-AcrZ complex
分子名称: ACRIFLAVINE RESISTANCE PROTEIN B, DARPIN, DODECYL-BETA-D-MALTOSIDE, ...
著者Du, D, James, N, Klimont, E, Luisi, B.F.
登録日2013-09-02
公開日2014-04-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of the AcrAB-TolC multidrug efflux pump.
Nature, 509, 2014
1W9M
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BU of 1w9m by Molmil
AS-isolated hybrid cluster protein from Desulfovibrio vulgaris X-ray structure at 1.35A resolution using iron anomalous signal
分子名称: FE-S-O HYBRID CLUSTER, HYDROXYLAMINE REDUCTASE, IRON/SULFUR CLUSTER
著者Aragao, D, Macedo, S, Mitchell, E.P, Coelho, D, Romao, C.V, Teixeira, M, Lindley, P.F.
登録日2004-10-14
公開日2005-02-04
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and Functional Relationships in the Hybrid Cluster Protein Family:Structure of the Anaerobically Purified Hybrid Cluster Protein from Desulfovibrio Vulgaris at 1.35 A Resolution
Acta Crystallogr.,Sect.D, 64, 2008
1BPS
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BU of 1bps by Molmil
MINOR CONFORMER OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA
分子名称: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*(BAP)AP*CP*GP*AP*G)-3')
著者Schwartz, J.S, Rice, J.S, Luxon, B.A, Sayer, J.M, Xie, G, Yeh, H.J.C, Liu, X, Jerina, D.M, Gorenstein, D.G.
登録日1998-08-06
公開日1998-08-19
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the minor conformer of a DNA duplex containing a dG mismatch opposite a benzo[a]pyrene diol epoxide/dA adduct: glycosidic rotation from syn to anti at the modified deoxyadenosine.
Biochemistry, 36, 1997
1OPL
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BU of 1opl by Molmil
Structural basis for the auto-inhibition of c-Abl tyrosine kinase
分子名称: 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, MYRISTIC ACID, proto-oncogene tyrosine-protein kinase
著者Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J.
登録日2003-03-06
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Structural basis for the autoinhibition of c-Abl tyrosine kinase
Cell(Cambridge,Mass.), 112, 2003
4HY1
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Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
分子名称: 6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one, Topoisomerase IV, subunit B
著者Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
登録日2012-11-12
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
3U2N
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BU of 3u2n by Molmil
Crystal structure of DNA(CGCGAATTCGCG)2 at 1.25 angstroms
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
著者Wei, D.G, Neidle, S.
登録日2011-10-04
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
2O2Y
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BU of 2o2y by Molmil
The crystal structure of P. falciparum enoyl acyl carrier protein reductase
分子名称: CHLORIDE ION, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Muench, S.P, Prigge, S.T, McLeod, R, Rafferty, J.B, Kirisits, M.J, Roberts, C.W, Mui, E.J, Rice, D.W.
登録日2006-11-30
公開日2006-12-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Studies of Toxoplasma gondii and Plasmodium falciparum enoyl acyl carrier protein reductase and implications for the development of antiparasitic agents
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2A06
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Bovine cytochrome bc1 complex with stigmatellin bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ...
著者Huang, L.S, Cobessi, D, Tung, E.Y, Berry, E.A.
登録日2005-06-16
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern.
J.Mol.Biol., 351, 2005
3NJE
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BU of 3nje by Molmil
Structure of the Minor Pseudopilin XcpW from the Pseudomonas aeruginosa Type II Secretion System
分子名称: General secretion pathway protein J
著者Franz, L.P, Dyer, D.H, Voulhoux, R, Forest, K.T.
登録日2010-06-17
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the minor pseudopilin XcpW from the Pseudomonas aeruginosa type II secretion system.
Acta Crystallogr.,Sect.D, 67, 2011
4HXZ
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Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
分子名称: 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, Topoisomerase IV, subunit B
著者Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
登録日2012-11-12
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
244D
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BU of 244d by Molmil
THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF A PARALLEL-STRANDED GUANINE TETRAPLEX
分子名称: CALCIUM ION, DNA (5'-D(*TP*GP*GP*GP*GP*T)-3'), SODIUM ION
著者Laughlan, G, Murchie, A.I.H, Norman, D.G, Moore, M.H, Moody, P.C.E, Lilley, D.M.J, Luisi, B.
登録日1995-10-19
公開日1996-02-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The high-resolution crystal structure of a parallel-stranded guanine tetraplex.
Science, 265, 1994
2G1O
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Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE, Renin
著者Holsworth, D.D, Zhanga, E.
登録日2006-02-14
公開日2006-06-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006

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