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6HW9
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BU of 6hw9 by Molmil
Yeast 20S proteasome in complex with 41b
分子名称: (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Huber, E.M, Groll, M.
登録日2018-10-11
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HVR
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BU of 6hvr by Molmil
Yeast 20S proteasome with human beta2i (1-53) in complex with 16
分子名称: (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2018-10-11
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HWC
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BU of 6hwc by Molmil
Yeast 20S proteasome beta2-G45A mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2018-10-11
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HV5
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BU of 6hv5 by Molmil
Yeast 20S proteasome with human beta2i (1-53) in complex with 4
分子名称: (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2018-10-10
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HW7
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BU of 6hw7 by Molmil
Yeast 20S proteasome in complex with 29
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Huber, E.M, Groll, M.
登録日2018-10-11
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HVY
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BU of 6hvy by Molmil
Yeast 20S proteasome in complex with 5 (7- and 6-membered ring)
分子名称: (2~{S})-~{N}-[(2~{S},3~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, (2~{S})-~{N}-[(2~{S},3~{S},4~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Huber, E.M, Groll, M.
登録日2018-10-11
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
2DES
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BU of 2des by Molmil
INTERACTIONS BETWEEN MORPHOLINYL ANTHRACYCLINES AND DNA: THE CRYSTAL STRUCTURE OF A MORPHOLINO DOXORUBICIN BOUND TO D(CGTACG)
分子名称: 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), MAGNESIUM ION, ...
著者Cirilli, M, Bachechi, F, Ughetto, G, Colonna, F.P, Capobianco, M.L.
登録日1993-03-16
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Interactions between morpholinyl anthracyclines and DNA. The crystal structure of a morpholino doxorubicin bound to d(CGTACG).
J.Mol.Biol., 230, 1993
263D
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BU of 263d by Molmil
ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX
分子名称: 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
著者Clark, G.R, Gray, E.J, Neidle, S, Li, Y.-H, Leupin, W.
登録日1996-09-27
公開日1996-10-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex.
Biochemistry, 35, 1996
202D
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BU of 202d by Molmil
SOLUTION STRUCTURE OF THE MENOGARIL-DNA COMPLEX
分子名称: DNA (5'-D(*GP*AP*CP*AP*TP*GP*TP*C)-3'), MENOGARIL
著者Chen, H, Patel, D.J.
登録日1995-03-29
公開日1995-06-03
最終更新日2024-03-13
実験手法SOLUTION NMR
主引用文献Solution Structure of the Menogaril-DNA Complex
J.Am.Chem.Soc., 117, 1995
1D22
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BU of 1d22 by Molmil
BINDING OF THE ANTITUMOR DRUG NOGALAMYCIN AND ITS DERIVATIVES TO DNA: STRUCTURAL COMPARISON
分子名称: DNA (5'-D(*(5CM)P*GP*TP*(AS)P*(5CM)P*G)-3'), U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN
著者Gao, Y.-G, Liaw, Y.-C, Robinson, H, Wang, A.H.-J.
登録日1990-08-08
公開日1991-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding of the antitumor drug nogalamycin and its derivatives to DNA: structural comparison.
Biochemistry, 29, 1990
1D21
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BU of 1d21 by Molmil
BINDING OF THE ANTITUMOR DRUG NOGALAMYCIN AND ITS DERIVATIVES TO DNA: STRUCTURAL COMPARISON
分子名称: DNA (5'-D(*(5CM)P*GP*TP*(AS)P*(5CM)P*G)-3'), NOGALAMYCIN
著者Gao, Y.-G, Liaw, Y.-C, Robinson, H, Wang, A.H.-J.
登録日1990-08-08
公開日1991-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding of the antitumor drug nogalamycin and its derivatives to DNA: structural comparison.
Biochemistry, 29, 1990
1LQC
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BU of 1lqc by Molmil
LAC REPRESSOR HEADPIECE (RESIDUES 1-56), NMR, 32 STRUCTURES
分子名称: LAC REPRESSOR
著者Slijper, M, Bonvin, A.M.J.J, Boelens, R, Kaptein, R.
登録日1996-08-13
公開日1997-02-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refined structure of lac repressor headpiece (1-56) determined by relaxation matrix calculations from 2D and 3D NOE data: change of tertiary structure upon binding to the lac operator.
J.Mol.Biol., 259, 1996
1NAB
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BU of 1nab by Molmil
The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes
分子名称: 5'-D(*CP*GP*AP*TP*CP*G)-3', 7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE
著者Temperini, C, Messori, L, Orioli, P, Di Bugno, C, Animati, F, Ughetto, G.
登録日2002-11-27
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes
Nucleic Acids Res., 31, 2003
1VS2
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BU of 1vs2 by Molmil
Interactions of quinoxaline antibiotic and DNA: the molecular structure of a TRIOSTIN A-D(GCGTACGC) complex
分子名称: 2-CARBOXYQUINOXALINE, 5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3', TRIOSTIN A
著者Wang, A.H.-J, Ughetto, G, Quigley, G.J, Rich, A.
登録日1986-10-21
公開日2006-06-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interactions of Quinoxaline Antibiotic and DNA: The Molecular Structure of a Triostin A-D(Gcgtacgc) Complex.
J.Biomol.Struct.Dyn., 4, 1986
1CJG
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BU of 1cjg by Molmil
NMR STRUCTURE OF LAC REPRESSOR HP62-DNA COMPLEX
分子名称: DNA (5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*TP*C)-3'), PROTEIN (LAC REPRESSOR)
著者Spronk, C.A.E.M, Bonvin, A.M.J.J, Radha, P.K, Melacini, G, Boelens, R, Kaptein, R.
登録日1999-04-14
公開日2000-01-01
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献The solution structure of Lac repressor headpiece 62 complexed to a symmetrical lac operator.
Structure Fold.Des., 7, 1999
1D38
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BU of 1d38 by Molmil
INFLUENCE OF AGLYCONE MODIFICATIONS ON THE BINDING OF ANTHRACYCLINE DRUGS TO DNA: THE MOLECULAR STRUCTURE OF IDARUBICIN AND 4-O-DEMETHYL-11-DEOXYDOXORUBICIN COMPLEXED TO D(CGATCG)
分子名称: DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), IDARUBICIN, MAGNESIUM ION
著者Gao, Y.-G, Wang, A.H.-J.
登録日1991-04-23
公開日1992-04-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Influence of aglycone modifications on the binding of anthracycline drugs to DNA: the molecular structure of idarubicin and 4-O-demethyl-11-deoxydoxorubicin complexed to d(CGATCG).
Anti-Cancer Drug Des., 6, 1991
1D17
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BU of 1d17 by Molmil
DNA-NOGALAMYCIN INTERACTIONS
分子名称: DNA (5'-D(*(5CM)P*GP*TP*AP*(5CM)P*G)-3'), NOGALAMYCIN
著者Egli, M, Williams, L.D, Frederick, C.A, Rich, A.
登録日1990-08-08
公開日1991-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA-nogalamycin interactions.
Biochemistry, 30, 1991
1D37
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BU of 1d37 by Molmil
INFLUENCE OF AGLYCONE MODIFICATIONS ON THE BINDING OF ANTHRACYCLINE DRUGS TO DNA: THE MOLECULAR STRUCTURE OF IDARUBICIN AND 4-O-DEMETHYL-11-DEOXYDOXORUBICIN COMPLEXED TO D(CGATCG)
分子名称: 1-O-DEMETHYL-6-DEOXYDOXORUBICIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3')
著者Gao, Y.-G, Wang, A.H.-J.
登録日1991-04-23
公開日1992-04-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Influence of aglycone modifications on the binding of anthracycline drugs to DNA: the molecular structure of idarubicin and 4-O-demethyl-11-deoxydoxorubicin complexed to d(CGATCG).
Anti-Cancer Drug Des., 6, 1991
1DCG
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BU of 1dcg by Molmil
THE MOLECULAR STRUCTURE OF THE LEFT-HANDED Z-DNA DOUBLE HELIX AT 1.0 ANGSTROM ATOMIC RESOLUTION. GEOMETRY, CONFORMATION, AND IONIC INTERACTIONS OF D(CGCGCG)
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Gessner, R.V, Frederick, C.A, Quigley, G.J, Rich, A, Wang, A.H.-J.
登録日1988-08-29
公開日1989-01-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The molecular structure of the left-handed Z-DNA double helix at 1.0-A atomic resolution. Geometry, conformation, and ionic interactions of d(CGCGCG).
J.Biol.Chem., 264, 1989

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