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PDB: 26 results

8IGI
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Crystal structure of HP1526 (XthA)- a base excision DNA repair protein in Helicobacter pylori
Descriptor: 1,3-BUTANEDIOL, Exodeoxyribonuclease (LexA), MANGANESE (II) ION
Authors:Dinh, T.T, Dao, O, Lee, K.H.
Deposit date:2023-02-20
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of the apurinic/apyrimidinic endonuclease XthA (HP1526 protein) from Helicobacter pylori.
Biochem.Biophys.Res.Commun., 663, 2023
8GQQ
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BU of 8gqq by Molmil
The three-dimensional structure of Cystatin A2, a cysteine protease inhibitor from Dictyostelium discoideum
Descriptor: Cystatin-A2
Authors:Dinh, T.T, Dao, O, Lee, K.H.
Deposit date:2022-08-30
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:The three-dimensional structure of Cystatin A2, a cysteine protease inhibitor from Dictyostelium discoideum
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
Descriptor: MAGNESIUM ION, Short chain alcohol dehydrogenase
Authors:Dinh, T, Phillips, R.
Deposit date:2020-07-02
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite: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
8D3S
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BU of 8d3s by Molmil
HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110
Descriptor: (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
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
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
Descriptor: DIMETHYL SULFOXIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Secondary-alcohol dehydrogenase, ...
Authors:Dinh, T, Phillips, R.
Deposit date:2022-04-26
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: (2R)-pentan-2-ol, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:Dinh, T, Phillips, R, Rahn, K.
Deposit date:2022-04-28
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: (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
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-03-29
Release date:2024-02-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
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
Descriptor: (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
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
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
Descriptor: (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
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
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
Descriptor: (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
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
2D47
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BU of 2d47 by Molmil
MOLECULAR STRUCTURE OF A COMPLETE TURN OF A-DNA
Descriptor: DNA (5'-D(*CP*CP*CP*CP*CP*GP*CP*GP*GP*GP*GP*G)-3'), SPERMINE
Authors:Verdaguer, N, Aymami, J, Fernandez-Forner, D, Fita, I, Coll, M, Huynh-Dinh, T, Igolen, J, Subirana, J.A.
Deposit date:1991-10-02
Release date:1991-10-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular structure of a complete turn of A-DNA.
J.Mol.Biol., 221, 1991
1ESK
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BU of 1esk by Molmil
SOLUTION STRUCTURE OF NCP7 FROM HIV-1
Descriptor: GAG POLYPROTEIN, ZINC ION
Authors:Morellet, N, Demene, H, Teilleux, V, Huynh-Dinh, T, de Rocquigny, H, Fournie-Zaluski, M.-C, Roques, B.P.
Deposit date:2000-04-10
Release date:2000-04-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of (12-53)NCp7 of HIV-1
To be Published
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
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*CP*TP*CP*TP*AP*GP*AP*GP*CP*G)-3')
Authors:Urpi, L, Tereshko, V, Malinina, L, Huynh-Dinh, T, Subirana, J.A.
Deposit date:1996-02-22
Release date:1996-04-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural comparison between the d(CTAG) sequence in oligonucleotides and trp and met repressor-operator complexes.
Nat.Struct.Biol., 3, 1996
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
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*CP*G)-3')
Authors:Urpi, L, Tereshko, V, Malinina, L, Huynh-Dinh, T, Subirana, J.A.
Deposit date:1996-02-22
Release date:1996-04-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.47 Å)
Cite: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)
Descriptor: DNA (5'-D(*CP*CP*GP*CP*GP*G)-3'), SODIUM ION
Authors:Malinina, L, Urpi, L, Salas, X, Huynh-Dinh, T, Subirana, J.A.
Deposit date:1994-09-22
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite: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
Descriptor: DNA (5'-D(*AP*CP*GP*CP*C)-3'), NUCLEOCAPSID PROTEIN 7, ZINC ION
Authors:Demene, H, Morellet, N, Teilleux, V, Huynh-Dinh, T, De Rocquigny, H, Fournie-Zaluski, M.C, Roques, B.P.
Deposit date:1998-07-03
Release date:1999-02-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the complex between the HIV-1 nucleocapsid protein NCp7 and the single-stranded pentanucleotide d(ACGCC).
J.Mol.Biol., 283, 1998
446D
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BU of 446d by Molmil
STRUCTURE OF THE OLIGONUCLEOTIDE D(CGTATATACG) AS A SITE SPECIFIC COMPLEX WITH NICKEL IONS
Descriptor: DNA (5'-D(*CP*GP*TP*AP*TP*AP*TP*AP*CP*G)-3'), NICKEL (II) ION
Authors:Abrescia, N.G.A, Malinina, L, Gonzaga, L.F, Huynh-Dinh, T, Neidle, S, Subirana, J.A.
Deposit date:1999-01-15
Release date:1999-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the oligonucleotide d(CGTATATACG) as a site-specific complex with nickel ions.
Nucleic Acids Res., 27, 1999
1U3Q
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BU of 1u3q by Molmil
Crystal Structure of Estrogen Receptor beta complexed with CL-272
Descriptor: 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor beta
Authors: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.
Deposit date:2004-07-22
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1
Authors: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.
Deposit date:2004-07-22
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
J.Med.Chem., 47, 2004
1U3S
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BU of 1u3s by Molmil
Crystal Structure of Estrogen Receptor beta complexed with WAY-797
Descriptor: 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1
Authors: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.
Deposit date:2004-07-22
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
J.Med.Chem., 47, 2004
1GQU
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BU of 1gqu by Molmil
Crystal structure of an alternating A-T oligonucleotide fragment with Hoogsteen base pairing
Descriptor: DNA (5'(*AP*TP*AP*UP*AP*T)-3')
Authors:Abrescia, N.G.A, Thompson, A, Huynh-Dinh, T, Subirana, J.A.
Deposit date:2001-12-05
Release date:2002-12-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of an Antiparallel DNA Fragment with Hoogsteen Base Pairing
Proc.Natl.Acad.Sci.USA, 99, 2002
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.
Descriptor: (1S,3S)-3-methylcyclohexan-1-ol, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Phillips, R.S, Dinh, T.
Deposit date:2022-05-04
Release date:2022-05-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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
1JU0
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NMR solution structure of a DNA kissing complex
Descriptor: 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'
Authors:Barbault, F, Huynh-Dinh, T, Paoletti, J, Lancelot, G.
Deposit date:2001-08-23
Release date:2002-08-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A new peculiar DNA structure: NMR solution structure of a DNA kissing complex.
J.Biomol.Struct.Dyn., 19, 2002
1JTJ
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BU of 1jtj by Molmil
Solution structure of HIV-1Lai mutated SL1 hairpin
Descriptor: HIV-1Lai SL1
Authors:Kieken, F, Arnoult, E, Barbault, F, Paquet, F, Huynh-Dinh, T, Paoletti, J, Genest, D, Lancelot, G.
Deposit date:2001-08-21
Release date:2002-12-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: 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'
Authors:Barbault, F, Huynh-Dinh, T, Paoletti, J, Lancelot, G.
Deposit date:2001-08-24
Release date:2004-01-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A new peculiar DNA structure: NMR solution structure of a DNA kissing complex.
J.Biomol.Struct.Dyn., 19, 2002

 

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