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PDB: 251 件
5AAU
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Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
分子名称: 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid, ESTROGEN RECEPTOR
著者Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z.
登録日2015-07-28
公開日2015-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
5AAV
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Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
分子名称: (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, ESTROGEN RECEPTOR
著者Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z.
登録日2015-07-29
公開日2015-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
5C0P
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The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endo-arabinase, ...
著者Tan, K, Cuff, M, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-06-12
公開日2015-07-01
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482
To Be Published
3MNC
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BU of 3mnc by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Second stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-21
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.119 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MNX
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Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Fourth stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.386 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
6NIO
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Crystal Structure of the Molybdate Transporter Periplasmic Protein ModA from Yersinia pestis
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ACETIC ACID, FORMIC ACID, ...
著者Kim, Y, Joachimiak, G, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-31
公開日2019-01-16
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal Structure of the Molybdate Transporter Periplasmic Protein ModA from Yersinia pestis
To Be Published
3MNB
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Investigation of global and local effects of radiation damage on porcine pancreatic elastase. First stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-21
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MO3
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Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Fifth stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MO9
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BU of 3mo9 by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Seventh stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MNS
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BU of 3mns by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Third stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MO6
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BU of 3mo6 by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Sixth stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MOC
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BU of 3moc by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Eighth stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
6JT3
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BU of 6jt3 by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tadano, G, Komano, K, Yoshida, S, Suzuki, S, Nakahara, K, Fuchino, K, Fujimoto, K, Matsuoka, E, Yamamoto, T, Asada, N, Ito, H, Sakaguchi, G, Kanegawa, N, Kido, Y, Ando, S, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Bergh, A.V.D, Austin, N, Gijsen, H.J.M, Yamano, Y, Iso, Y, Kusakabe, K.I.
登録日2019-04-08
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.
J.Med.Chem., 62, 2019
1KF6
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BU of 1kf6 by Molmil
E. coli Quinol-Fumarate Reductase with Bound Inhibitor HQNO
分子名称: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, ACETATE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Iverson, T.M, Luna-Chavez, C, Croal, L.R, Cecchini, G, Rees, D.C.
登録日2001-11-19
公開日2002-03-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic studies of the Escherichia coli quinol-fumarate reductase with inhibitors bound to the quinol-binding site.
J.Biol.Chem., 277, 2002
1KFY
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BU of 1kfy by Molmil
QUINOL-FUMARATE REDUCTASE WITH QUINOL INHIBITOR 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL
分子名称: 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Iverson, T.M, Luna-Chavez, C, Croal, L.R, Cecchini, G, Rees, D.C.
登録日2001-11-24
公開日2002-03-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystallographic studies of the Escherichia coli quinol-fumarate reductase with inhibitors bound to the quinol-binding site.
J.Biol.Chem., 277, 2002
1L0V
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BU of 1l0v by Molmil
Quinol-Fumarate Reductase with Menaquinol Molecules
分子名称: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Iverson, T.M, Luna-Chavez, C, Croal, L.R, Cecchini, G, Rees, D.C.
登録日2002-02-13
公開日2002-03-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystallographic studies of the Escherichia coli quinol-fumarate reductase with inhibitors bound to the quinol-binding site.
J.Biol.Chem., 277, 2002
3QOD
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Crystal Structure of Heterocyst Differentiation Protein, HetR from Fischerella mv11
分子名称: Heterocyst differentiation protein
著者Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-09
公開日2011-04-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Structure of transcription factor HetR required for heterocyst differentiation in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 108, 2011
3QOE
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Crystal Structure of Heterocyst Differentiation Protein, HetR from Fischerella mv11
分子名称: Heterocyst differentiation protein
著者Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-09
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Structure of transcription factor HetR required for heterocyst differentiation in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 108, 2011
5ACC
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A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth Inhibition in Estrogen Receptor positive and ESR1 Mutant Models
分子名称: (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID, ESTROGEN RECEPTOR
著者Norman, R.A, Weir, H.M, Bradbury, R.H, Lawson, M, Rabow, A.A, Buttar, D, Callis, R.J, Curwen, J.O, de Almeida, C, Ballard, P, Hulse, M, Donald, C.S, Feron, L.J.L, Gingell, H, Karoutchi, G, MacFaul, P, Moss, T, Pearson, S.E, Tonge, M, Davies, G, Walker, G.E, Wilson, Z, Rowlinson, R, Powell, S, Hemsley, P, Linney, E, Campbell, H, Ghazoui, Z, Sadler, C, Richmond, G, Pazolli, E, Mazzola, A.M, DCruz, C, De Savi, C.
登録日2015-08-15
公開日2015-12-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
6VAX
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BU of 6vax by Molmil
Crystal structure of human SDHA-SDHAF2 assembly intermediate
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2019-12-18
公開日2020-08-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The roles of SDHAF2 and dicarboxylate in covalent flavinylation of SDHA, the human complex II flavoprotein.
Proc.Natl.Acad.Sci.USA, 117, 2020
1OEB
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BU of 1oeb by Molmil
Mona/Gads SH3C domain
分子名称: CADMIUM ION, GRB2-RELATED ADAPTOR PROTEIN 2, LYMPHOCYTE CYTOSOLIC PROTEIN 2
著者Harkiolaki, M, Lewitzky, M, Gilbert, R.J.C, Jones, E.Y, Bourette, R.P, Mouchiroud, G, Sondermann, H, Moarefi, I, Feller, S.M.
登録日2003-03-24
公開日2003-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Basis for SH3 Domain-Mediated High-Affinity Binding between Mona/Gads and Slp-76
Embo J., 22, 2003
8C76
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Light-state 2.5 Angstrom wild-type X-ray crystal structure of the cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions from a form 2 crystal illuminated during 5 s
分子名称: COBALAMIN, Probable transcriptional regulator
著者Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M.
登録日2023-01-12
公開日2023-08-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C73
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Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition form ll
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, Probable transcriptional regulator
著者Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M.
登録日2023-01-12
公開日2023-08-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
6JT4
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Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I.
登録日2019-04-08
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden.
Chemmedchem, 14, 2019
8DYD
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Crystal structure of human SDHA-SDHAF2-SDHAF4 assembly intermediate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2022-08-04
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024

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