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5M8G
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BU of 5m8g by Molmil
Tubulin-MTD265 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ...
著者Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P.
登録日2016-10-28
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
5M8D
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BU of 5m8d by Molmil
Tubulin MTD265-R1 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ...
著者Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P.
登録日2016-10-28
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
5NGB
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BU of 5ngb by Molmil
X-Ray Diffraction Crystal Structure of the murine PI3K p110delta in complex with a pan inhibitor
分子名称: 3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{H}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Berndt, A, Williams, R.L.
登録日2017-03-17
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of a Potent Phosphoinositide 3-Kinase Pan Inhibitor Displaying a Strategic Carboxylic Acid Group and Development of Its Prodrugs.
ChemMedChem, 12, 2017
5C46
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BU of 5c46 by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta in complex with GTP gamma S loaded Rab11
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Phosphatidylinositol 4-kinase beta, ...
著者Burke, J.E, Fowler, M.L.
登録日2015-06-17
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIII beta with Rab11.
Protein Sci., 25, 2016
5C4G
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Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with the inhibitor BQR695 in complex with GDP loaded Rab11
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide, ...
著者Burke, J.E, Fowler, M.L.
登録日2015-06-18
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIII beta with Rab11.
Protein Sci., 25, 2016
5EE5
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BU of 5ee5 by Molmil
Structure of human ARL1 in complex with the DCB domain of BIG1
分子名称: ACETATE ION, ADP-ribosylation factor-like protein 1, Brefeldin A-inhibited guanine nucleotide-exchange protein 1, ...
著者Galindo, A, Soler, N, Munro, S.
登録日2015-10-22
公開日2016-07-06
最終更新日2016-07-27
実験手法X-RAY DIFFRACTION (2.279 Å)
主引用文献Structural Insights into Arl1-Mediated Targeting of the Arf-GEF BIG1 to the trans-Golgi.
Cell Rep, 16, 2016
1DLO
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BU of 1dlo by Molmil
HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
分子名称: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE
著者Hsiou, Y, Ding, J, Das, K, Hughes, S, Arnold, E.
登録日1996-04-17
公開日1996-08-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of unliganded HIV-1 reverse transcriptase at 2.7 A resolution: implications of conformational changes for polymerization and inhibition mechanisms.
Structure, 4, 1996
2HMI
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BU of 2hmi by Molmil
HIV-1 REVERSE TRANSCRIPTASE/FRAGMENT OF FAB 28/DNA COMPLEX
分子名称: DNA (5'-D(*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*A)-3'), FAB FRAGMENT OF MONOCLONAL ANTIBODY 28, ...
著者Ding, J, Arnold, E.
登録日1998-04-10
公開日1998-10-14
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 A resolution.
J.Mol.Biol., 284, 1998
1HRI
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BU of 1hri by Molmil
STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14
分子名称: 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
著者Zhang, A, Nanni, R.G, Oren, D.A, Arnold, E.
登録日1992-10-01
公開日1993-10-31
最終更新日2023-01-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14.
J.Mol.Biol., 230, 1993
3EN5
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Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP494, a multitargeted kinase inhibitor
分子名称: 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M.
登録日2008-09-25
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Nat.Chem.Biol., 4, 2008
3EN7
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Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with S1, a multitargeted kinase inhibitor
分子名称: 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, Proto-oncogene tyrosine-protein kinase Src
著者Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M.
登録日2008-09-25
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Nat.Chem.Biol., 4, 2008
3EN6
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Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP102, a multitargeted kinase inhibitor
分子名称: 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M.
登録日2008-09-25
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Nat.Chem.Biol., 4, 2008
3EN4
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BU of 3en4 by Molmil
Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor
分子名称: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M.
登録日2008-09-25
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Nat.Chem.Biol., 4, 2008
1VRH
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BU of 1vrh by Molmil
HRV14/SDZ 880-061 COMPLEX
分子名称: 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14
著者Oren, D.A, Zhang, A, Arnold, E.
登録日1996-02-26
公開日1997-02-12
最終更新日2023-03-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14.
J.Mol.Biol., 259, 1996
1U5T
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BU of 1u5t by Molmil
Structure of the ESCRT-II endosomal trafficking complex
分子名称: Defective in vacuolar protein sorting; Vps36p, Hypothetical 23.6 kDa protein in YUH1-URA8 intergenic region, appears to be functionally related to SNF7; Snf8p
著者Hierro, A, Sun, J, Rusnak, A.S, Kim, J, Prag, G, Emr, S.D, Hurley, J.H.
登録日2004-07-28
公開日2004-09-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of ESCRT-II endosomal trafficking complex
Nature, 431, 2004
1TVR
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BU of 1tvr by Molmil
HIV-1 RT/9-CL TIBO
分子名称: 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE
著者Das, K, Ding, J, Hsiou, Y, Arnold, E.
登録日1996-04-16
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant.
J.Mol.Biol., 264, 1996
1UWB
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BU of 1uwb by Molmil
TYR 181 CYS HIV-1 RT/8-CL TIBO
分子名称: 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE
著者Das, K, Ding, J, Hsiou, Y, Arnold, E.
登録日1996-11-21
公開日1997-05-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant.
J.Mol.Biol., 264, 1996
3ZTS
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BU of 3zts by Molmil
Hexagonal form P6122 of the Aquifex aeolicus nucleoside diphosphate kinase (FINAL STAGE OF RADIATION DAMAGE)
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
登録日2011-07-12
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus
Proteins, 80, 2012
3ZTQ
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Hexagonal crystal form P61 of the Aquifex aeolicus nucleoside diphosphate kinase
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
登録日2011-07-12
公開日2012-02-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus
Proteins, 80, 2012
3ZTO
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Orthorhombic crystal form C222 of the Aquifex aeolicus nucleoside diphosphate kinase
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION
著者Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
登録日2011-07-12
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献An Intersubunit Disulfide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus.
Proteins, 80, 2012
3ZTR
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BU of 3ztr by Molmil
Hexagonal form P6122 of the Aquifex aeolicus nucleoside diphosphate kinase (FIRST STAGE OF RADIATION DAMAGE)
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
登録日2011-07-12
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus
Proteins, 80, 2012
3ZTP
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Orthorhombic crystal form P21212 of the Aquifex aeolicus nucleoside diphosphate kinase
分子名称: GLYCEROL, NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION
著者Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
登録日2011-07-12
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献An Intersubunit Disulfide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus.
Proteins, 80, 2012
2HUR
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Escherichia coli nucleoside diphosphate kinase
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION
著者Moynie, L, Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A.
登録日2006-07-27
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The structure of the Escherichia coli nucleoside diphosphate kinase reveals a new quaternary architecture for this enzyme family
Proteins, 67, 2007
1HRV
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HRV14/SDZ 35-682 COMPLEX
分子名称: 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
著者Oren, D.A, Zhang, A, Arnold, E.
登録日1995-03-02
公開日1995-06-03
最終更新日2023-03-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献SDZ 35-682, a new picornavirus capsid-binding agent with potent antiviral activity.
Antiviral Res., 26, 1995
1BQN
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BU of 1bqn by Molmil
TYR 188 LEU HIV-1 RT/HBY 097
分子名称: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, REVERSE TRANSCRIPTASE
著者Hsiou, Y, Das, K, Ding, J, Arnold, E.
登録日1998-08-17
公開日1999-01-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance.
J.Mol.Biol., 284, 1998

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