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8D3S
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BU of 8d3s by Molmil
HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
著者Dinh, T, Kvaratskhelia, M.
登録日2022-06-01
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献HIV-1 Integrase Catalytic Core Domain Complexed with BKC-110
To Be Published
7UTC
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BU of 7utc by Molmil
Crystal structure of secondary alcohol dehydrogenases from the Thermoanaerobacter ethanolicus with NADP and transition-state analogue inhibitor DMSO
分子名称: DIMETHYL SULFOXIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Secondary-alcohol dehydrogenase, ...
著者Dinh, T, Phillips, R.
登録日2022-04-26
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network.
Proteins, 90, 2022
7UUT
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BU of 7uut by Molmil
Ternary complex crystal structure of secondary alcohol dehydrogenases from the Thermoanaerobacter ethanolicus mutants C295A and I86A provides better understanding of catalytic mechanism
分子名称: (2R)-pentan-2-ol, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
著者Dinh, T, Phillips, R, Rahn, K.
登録日2022-04-28
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network.
Proteins, 90, 2022
8S9Q
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BU of 8s9q by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H Mutant Complexed with STP03-0404
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
著者Dinh, T, Kvaratskhelia, M.
登録日2023-03-29
公開日2024-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献HIV-1 Integrase Catalytic Core Domain Complexed with STP-0404
To Be Published
8T52
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BU of 8t52 by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-110
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
著者Dinh, T, Kvaratskhelia, M.
登録日2023-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献HIV-1 Integrase Catalytic Core Domain (CCD) Y99H/A128T mutant complexed with BKC-110
To Be Published
8T5B
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BU of 8t5b by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor EKC-110
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase, MAGNESIUM ION
著者Dinh, T, Kvaratskhelia, M.
登録日2023-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Understanding the resistance of Y99H and A128T mutations in HIV-1 Integrase against the effective anti-HIV drugs of STP0404 and BKC11
To Be Published
8T5A
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BU of 8t5a by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
著者Dinh, T, Kvaratskhelia, M.
登録日2023-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献HIV-1 Integrase Catalytic Core Domain (CCD) Y99H/A128T mutant complexed with BKC-110
To Be Published
6XNB
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BU of 6xnb by Molmil
The Crystal Structure of the S154Y Mutant Carbonyl Reductase from Leifsonia xyli Explains Enhanced Activity for 3,5-Bis(trifluoromethyl)acetophenone Reduction
分子名称: MAGNESIUM ION, Short chain alcohol dehydrogenase
著者Dinh, T, Phillips, R.
登録日2020-07-02
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献The crystal structure of the S154Y mutant carbonyl reductase from Leifsonia xyli explains enhanced activity for 3,5-bis(trifluoromethyl)acetophenone reduction.
Arch.Biochem.Biophys., 720, 2022
7UX4
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BU of 7ux4 by Molmil
Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network.
分子名称: (1S,3S)-3-methylcyclohexan-1-ol, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Phillips, R.S, Dinh, T.
登録日2022-05-04
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network.
Proteins, 90, 2022
1ESK
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BU of 1esk by Molmil
SOLUTION STRUCTURE OF NCP7 FROM HIV-1
分子名称: GAG POLYPROTEIN, ZINC ION
著者Morellet, N, Demene, H, Teilleux, V, Huynh-Dinh, T, de Rocquigny, H, Fournie-Zaluski, M.-C, Roques, B.P.
登録日2000-04-10
公開日2000-04-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of (12-53)NCp7 of HIV-1
To be Published
1JTJ
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BU of 1jtj by Molmil
Solution structure of HIV-1Lai mutated SL1 hairpin
分子名称: HIV-1Lai SL1
著者Kieken, F, Arnoult, E, Barbault, F, Paquet, F, Huynh-Dinh, T, Paoletti, J, Genest, D, Lancelot, G.
登録日2001-08-21
公開日2002-12-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献HIV-1(Lai) genomic RNA: combined used of NMR and molecular dynamics simulation for studying the structure and internal dynamics of a mutated SL1 hairpin.
EUR.BIOPHYS.J., 31, 2002
1JUA
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BU of 1jua by Molmil
Solution Structure of the Deoxyribose HIV-1Lai Initiation Sequence Stable Dimer
分子名称: 5'-D(*CP*TP*TP*GP*CP*TP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP*CP*AP*AP*G)-3'
著者Barbault, F, Huynh-Dinh, T, Paoletti, J, Lancelot, G.
登録日2001-08-24
公開日2004-01-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A new peculiar DNA structure: NMR solution structure of a DNA kissing complex.
J.Biomol.Struct.Dyn., 19, 2002
1U3Q
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BU of 1u3q by Molmil
Crystal Structure of Estrogen Receptor beta complexed with CL-272
分子名称: 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor beta
著者Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
登録日2004-07-22
公開日2005-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
J.Med.Chem., 47, 2004
1U3R
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BU of 1u3r by Molmil
Crystal Structure of Estrogen Receptor beta complexed with WAY-338
分子名称: 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1
著者Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
登録日2004-07-22
公開日2005-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
J.Med.Chem., 47, 2004
250D
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BU of 250d by Molmil
STRUCTURAL COMPARISON BETWEEN THE D(CTAG) SEQUENCE IN OLIGONUCLEOTIDES AND TRP AND MET REPRESSOR-OPERATOR COMPLEXES
分子名称: DNA (5'-D(*CP*GP*CP*TP*AP*GP*CP*G)-3')
著者Urpi, L, Tereshko, V, Malinina, L, Huynh-Dinh, T, Subirana, J.A.
登録日1996-02-22
公開日1996-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structural comparison between the d(CTAG) sequence in oligonucleotides and trp and met repressor-operator complexes.
Nat.Struct.Biol., 3, 1996
249D
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BU of 249d by Molmil
STRUCTURAL COMPARISON BETWEEN THE D(CTAG) SEQUENCE IN OLIGONUCLEOTIDES AND TRP AND MET REPRESSOR-OPERATOR COMPLEXES
分子名称: CALCIUM ION, DNA (5'-D(*CP*GP*CP*TP*CP*TP*AP*GP*AP*GP*CP*G)-3')
著者Urpi, L, Tereshko, V, Malinina, L, Huynh-Dinh, T, Subirana, J.A.
登録日1996-02-22
公開日1996-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural comparison between the d(CTAG) sequence in oligonucleotides and trp and met repressor-operator complexes.
Nat.Struct.Biol., 3, 1996
192D
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BU of 192d by Molmil
RECOMBINATION-LIKE STRUCTURE OF D(CCGCGG)
分子名称: DNA (5'-D(*CP*CP*GP*CP*GP*G)-3'), SODIUM ION
著者Malinina, L, Urpi, L, Salas, X, Huynh-Dinh, T, Subirana, J.A.
登録日1994-09-22
公開日1995-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Recombination-like structure of d(CCGCGG).
J.Mol.Biol., 243, 1994
1BJ6
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BU of 1bj6 by Molmil
1H NMR OF (12-53) NCP7/D(ACGCC) COMPLEX, 10 STRUCTURES
分子名称: DNA (5'-D(*AP*CP*GP*CP*C)-3'), NUCLEOCAPSID PROTEIN 7, ZINC ION
著者Demene, H, Morellet, N, Teilleux, V, Huynh-Dinh, T, De Rocquigny, H, Fournie-Zaluski, M.C, Roques, B.P.
登録日1998-07-03
公開日1999-02-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the complex between the HIV-1 nucleocapsid protein NCp7 and the single-stranded pentanucleotide d(ACGCC).
J.Mol.Biol., 283, 1998
1U3S
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BU of 1u3s by Molmil
Crystal Structure of Estrogen Receptor beta complexed with WAY-797
分子名称: 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1
著者Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
登録日2004-07-22
公開日2005-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
J.Med.Chem., 47, 2004
2D47
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MOLECULAR STRUCTURE OF A COMPLETE TURN OF A-DNA
分子名称: DNA (5'-D(*CP*CP*CP*CP*CP*GP*CP*GP*GP*GP*GP*G)-3'), SPERMINE
著者Verdaguer, N, Aymami, J, Fernandez-Forner, D, Fita, I, Coll, M, Huynh-Dinh, T, Igolen, J, Subirana, J.A.
登録日1991-10-02
公開日1991-10-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular structure of a complete turn of A-DNA.
J.Mol.Biol., 221, 1991
1GQU
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BU of 1gqu by Molmil
Crystal structure of an alternating A-T oligonucleotide fragment with Hoogsteen base pairing
分子名称: DNA (5'(*AP*TP*AP*UP*AP*T)-3')
著者Abrescia, N.G.A, Thompson, A, Huynh-Dinh, T, Subirana, J.A.
登録日2001-12-05
公開日2002-12-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of an Antiparallel DNA Fragment with Hoogsteen Base Pairing
Proc.Natl.Acad.Sci.USA, 99, 2002
1JU0
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BU of 1ju0 by Molmil
NMR solution structure of a DNA kissing complex
分子名称: 5'-D(*CP*TP*TP*GP*CP*TP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP*CP*AP*AP*G)-3'
著者Barbault, F, Huynh-Dinh, T, Paoletti, J, Lancelot, G.
登録日2001-08-23
公開日2002-08-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A new peculiar DNA structure: NMR solution structure of a DNA kissing complex.
J.Biomol.Struct.Dyn., 19, 2002
6E8C
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BU of 6e8c by Molmil
Crystal structure of the double homeodomain of DUX4 in complex with DNA
分子名称: DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), Double homeobox protein 4
著者Lee, J.K, Bosnakovski, D, Toso, E.A, Dinh, T, Banerjee, S, Bohl, T.E, Shi, K, Kurahashi, K, Kyba, M, Aihara, H.
登録日2018-07-27
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA.
Cell Rep, 25, 2018
446D
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STRUCTURE OF THE OLIGONUCLEOTIDE D(CGTATATACG) AS A SITE SPECIFIC COMPLEX WITH NICKEL IONS
分子名称: DNA (5'-D(*CP*GP*TP*AP*TP*AP*TP*AP*CP*G)-3'), NICKEL (II) ION
著者Abrescia, N.G.A, Malinina, L, Gonzaga, L.F, Huynh-Dinh, T, Neidle, S, Subirana, J.A.
登録日1999-01-15
公開日1999-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the oligonucleotide d(CGTATATACG) as a site-specific complex with nickel ions.
Nucleic Acids Res., 27, 1999
8IGI
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Crystal structure of HP1526 (XthA)- a base excision DNA repair protein in Helicobacter pylori
分子名称: 1,3-BUTANEDIOL, Exodeoxyribonuclease (LexA), MANGANESE (II) ION
著者Dinh, T.T, Dao, O, Lee, K.H.
登録日2023-02-20
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal structure of the apurinic/apyrimidinic endonuclease XthA (HP1526 protein) from Helicobacter pylori.
Biochem.Biophys.Res.Commun., 663, 2023

 

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