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5VJJ
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BU of 5vjj by Molmil
Crystal structure of the flax-rust effector AvrP
分子名称: Avirulence protein AvrP123, ZINC ION
著者Zhang, X, Ericsson, D.J, Williams, S.J, Kobe, B.
登録日2017-04-19
公開日2017-08-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystal structure of the Melampsora lini effector AvrP reveals insights into a possible nuclear function and recognition by the flax disease resistance protein P.
Mol. Plant Pathol., 19, 2018
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Yan, X.E, Yun, C.H.
登録日2016-07-21
公開日2017-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2016-08-23
公開日2017-09-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
3HG8
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BU of 3hg8 by Molmil
Crystal Structure of 5-SMe Derivatized DNA
分子名称: 5'-D(*GP*(UMS)P*GP*(US2)P*AP*CP*AP*C)-3'
著者Sheng, J, Hassan, A.E.A, Zhang, W, Huang, Z.
登録日2009-05-13
公開日2009-07-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
4WLB
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BU of 4wlb by Molmil
Crystal structure of RORc in complex with a partial inverse agonist compound
分子名称: L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ...
著者Boenig, G, Hymowitz, S.G, Kiefer, J.R.
登録日2014-10-07
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献A reversed sulfonamide series of selective RORc inverse agonists.
Bioorg.Med.Chem.Lett., 24, 2014
4WPF
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BU of 4wpf by Molmil
Crystal structure of RORc in complex with a phenyl sulfonamide agonist
分子名称: N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide, Nuclear receptor ROR-gamma, RHKILHRLLQEGSPS
著者Kiefer, J.R, Wallweber, H.A, de Leon Boenig, G, Hymowitz, S.G.
登録日2014-10-18
公開日2015-01-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
Acs Med.Chem.Lett., 6, 2015
1C5G
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BU of 1c5g by Molmil
PLASMINOGEN ACTIVATOR INHIBITOR-1
分子名称: PLASMINOGEN ACTIVATOR INHIBITOR-1
著者Goldsmith, E.J.
登録日1999-12-07
公開日1999-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering of plasminogen activator inhibitor-1 to reduce the rate of latency transition.
Nat.Struct.Biol., 2, 1995
6BWN
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BU of 6bwn by Molmil
Crystal Structure of Mouse Protocadherin-15 EC6-7
分子名称: CALCIUM ION, POTASSIUM ION, Protocadherin-15
著者Neel, B.L, Klanseck, C.F, Sotomayor, M.
登録日2017-12-15
公開日2018-12-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 2020
3MR1
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BU of 3mr1 by Molmil
Crystal structure of methionine aminopeptidase from Rickettsia prowazekii
分子名称: CHLORIDE ION, MANGANESE (II) ION, Methionine aminopeptidase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-04-28
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
Bioorg.Med.Chem., 25, 2017
3NL9
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BU of 3nl9 by Molmil
Crystal structure of a putative NTP pyrophosphohydrolase (Exig_1061) from EXIGUOBACTERIUM SP. 255-15 at 1.78 A resolution
分子名称: 1,2-ETHANEDIOL, putative NTP pyrophosphohydrolase
著者Joint Center for Structural Genomics (JCSG)
登録日2010-06-21
公開日2010-07-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of a putative NTP pyrophosphohydrolase: YP_001813558.1 from Exiguobacterium sibiricum 255-15.
Acta Crystallogr.,Sect.F, 66, 2010
6BXU
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BU of 6bxu by Molmil
Crystal Structure of Mouse Protocadherin-15 EC5-7 I582T
分子名称: CALCIUM ION, Protocadherin-15
著者Neel, B.L, Sotomayor, M.
登録日2017-12-19
公開日2018-12-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 2020
3MX6
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BU of 3mx6 by Molmil
Crystal structure of methionine aminopeptidase from Rickettsia prowazekii bound to methionine
分子名称: MANGANESE (II) ION, METHIONINE, Methionine aminopeptidase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-05-06
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
Bioorg.Med.Chem., 25, 2017
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
2MDT
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BU of 2mdt by Molmil
a PilT N-terminus domain protein SSO1118 from hyperthemophilic archaeon Sulfolobus solfataricus P2
分子名称: Putative uncharacterized protein
著者Xuan, J, Song, X, Wang, J, Feng, Y.
登録日2013-09-17
公開日2013-11-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A PilT N-terminus domain protein SSO1118 from hyperthemophilic archaeon Sulfolobus solfataricus P2
J.Biomol.Nmr, 57, 2013
7KXE
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BU of 7kxe by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KU4
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BU of 7ku4 by Molmil
DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
分子名称: 1:(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION
著者Ogbonna, E, Fang, Z, Wilson, W.D.
登録日2020-11-24
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
7KWK
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BU of 7kwk by Molmil
DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
分子名称: 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Ogbonna, E, Fang, Z, Wilson, D.W.
登録日2020-12-01
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
1JBU
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BU of 1jbu by Molmil
Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183
分子名称: BENZAMIDINE, COAGULATION FACTOR VII, Peptide exosite inhibitor A-183, ...
著者Eigenbrot, C, Kirchhofer, D, Dennis, M.S, Santell, L, Lazarus, R.A, Stamos, J, Ultsch, M.H.
登録日2001-06-06
公開日2001-07-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The factor VII zymogen structure reveals reregistration of beta strands during activation.
Structure, 9, 2001
7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
2JWY
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BU of 2jwy by Molmil
Solution NMR structure of uncharacterized lipoprotein yajI from Escherichia coli. Northeast Structural Genomics target ER540
分子名称: Uncharacterized lipoprotein yajI
著者Liu, G, Xiao, R, Chen, C, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2007-10-31
公開日2007-11-20
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR structure of uncharacterized lipoprotein yajI from Escherichia coli.
To be Published
6ISU
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BU of 6isu by Molmil
Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3
著者Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D.
登録日2018-11-19
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
6IVU
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BU of 6ivu by Molmil
Solution structure of the Sigma-anti-sigma factor complex RsgI1N-SigI1C from Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1
著者Wei, Z, Feng, Y.
登録日2018-12-04
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
6IVS
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BU of 6ivs by Molmil
Solution structure of the N-terminal domain of the anti-sigma factor RsgI1 from Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI1
著者Wei, Z, Feng, Y.
登録日2018-12-04
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
2RU4
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BU of 2ru4 by Molmil
Designed Armadillo Repeat Protein Self-ASsembled Complex (YIIM2-MAII)
分子名称: Armadillo Repeat Protein, C-terminal fragment, MAII, ...
著者Zerbe, O, Christen, M.T, Plueckthun, A, Watson, R.P.
登録日2013-11-22
公開日2014-07-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Spontaneous self-assembly of engineered armadillo repeat protein fragments into a folded structure
Structure, 22, 2014
2RU5
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BU of 2ru5 by Molmil
Designed Armadillo Repeat Protein Fragment (MAII)
分子名称: Armadillo repeat protein C-terminal fragment
著者Zerbe, O, Christen, M.T, Plueckthun, A, Watson, R.P.
登録日2013-11-23
公開日2014-07-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Spontaneous self-assembly of engineered armadillo repeat protein fragments into a folded structure
Structure, 22, 2014

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