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1SXL
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BU of 1sxl by Molmil
RESONANCE ASSIGNMENTS AND SOLUTION STRUCTURE OF THE SECOND RNA-BINDING DOMAIN OF SEX-LETHAL DETERMINED BY MULTIDIMENSIONAL HETERONUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
Descriptor: SEX-LETHAL PROTEIN PROTEIN
Authors:Lee, A.L, Kanaar, R, Rio, D.C, Wemmer, D.E.
Deposit date:1994-07-01
Release date:1994-09-30
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Resonance assignments and solution structure of the second RNA-binding domain of sex-lethal determined by multidimensional heteronuclear magnetic resonance.
Biochemistry, 33, 1994
3KFY
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BU of 3kfy by Molmil
Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR
Descriptor: 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine, CALCIUM ION, Dihydrofolate reductase, ...
Authors:Collins, E.J, Lee, A.L, Carroll, M.J, Gromova, A.V, Miller, K.R, Singleton, S.F.
Deposit date:2009-10-28
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR
To be Published
3LNX
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BU of 3lnx by Molmil
Second PDZ domain from human PTP1E
Descriptor: IODIDE ION, THIOCYANATE ION, Tyrosine-protein phosphatase non-receptor type 13
Authors:Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-02-03
Release date:2010-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.642 Å)
Cite:Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E.
Biochemistry, 49, 2010
3LNY
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BU of 3lny by Molmil
Second PDZ domain from human PTP1E in complex with RA-GEF2 peptide
Descriptor: Rap guanine nucleotide exchange factor 6, SULFATE ION, THIOCYANATE ION, ...
Authors:Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-02-03
Release date:2010-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E.
Biochemistry, 49, 2010
3QYL
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BU of 3qyl by Molmil
Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate
Descriptor: (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine, CALCIUM ION, CHLORIDE ION, ...
Authors:Collins, E.J, Lee, A.L, Carroll, M.J, Mauldin, R.V, Gromova, A.V, Singleton, S.F.
Deposit date:2011-03-03
Release date:2012-01-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Evidence for dynamics in proteins as a mechanism for ligand dissociation.
Nat.Chem.Biol., 8, 2012
3QYO
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BU of 3qyo by Molmil
Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate
Descriptor: CALCIUM ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Collins, E.J, Lee, A.L, Carroll, M.J, Mauldin, R.V, Gromova, A.V, Singleton, S.F.
Deposit date:2011-03-03
Release date:2012-01-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Evidence for dynamics in proteins as a mechanism for ligand dissociation.
Nat.Chem.Biol., 8, 2012
3R33
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BU of 3r33 by Molmil
Evidence for dynamic motion in proteins as a mechanism for ligand dissociation
Descriptor: (6S)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine, CALCIUM ION, CHLORIDE ION, ...
Authors:Collins, E.J, Lee, A.L, Carroll, M.J, Mauldin, R.V, Gromova, A.V, Singleton, S.F.
Deposit date:2011-03-15
Release date:2012-01-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Evidence for dynamics in proteins as a mechanism for ligand dissociation.
Nat.Chem.Biol., 8, 2012
2HTF
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BU of 2htf by Molmil
The solution structure of the BRCT domain from human polymerase reveals homology with the TdT BRCT domain
Descriptor: DNA polymerase mu
Authors:DeRose, E.F, Clarkson, M.W, Gilmore, S.A, Ramsden, D.A, Mueller, G.A, London, R.E, Lee, A.L.
Deposit date:2006-07-25
Release date:2007-02-27
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of polymerase mu's BRCT Domain reveals an element essential for its role in nonhomologous end joining.
Biochemistry, 46, 2007
7R9C
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BU of 7r9c by Molmil
Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
Authors:Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-06-29
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXR
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BU of 7rxr by Molmil
Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
Descriptor: 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
Authors:Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-23
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXS
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BU of 7rxs by Molmil
Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
Descriptor: 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4
Authors:Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-23
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXT
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BU of 7rxt by Molmil
Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
Descriptor: 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4
Authors:Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-23
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
3MYY
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BU of 3myy by Molmil
Structure of E. Coli CheY mutant A113P bound to Beryllium fluoride
Descriptor: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein cheY, GLYCEROL, ...
Authors:Immormino, R.M, McDonald, L.R, Bourret, R.B.
Deposit date:2010-05-11
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Activation of CheY by Mutation at an allosteric site
To be Published
3OO1
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BU of 3oo1 by Molmil
Structure of E. Coli CheY mutant A113P in the absence of Sulfate
Descriptor: Chemotaxis protein CheY, MAGNESIUM ION
Authors:Immormino, R.M, Bourret, R.B.
Deposit date:2010-08-30
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring the effect of an allosteric site on conformational coupling in CheY
To be Published
7STV
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BU of 7stv by Molmil
Crystal structure of sulfatase from Pedobacter yulinensis
Descriptor: CALCIUM ION, CHLORIDE ION, CITRIC ACID, ...
Authors:O'Malley, A, Schlachter, C.R, Grimes, L.L, Tomashek, J.J, Lee, A.L, Chruszcz, M.
Deposit date:2021-11-15
Release date:2022-01-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Purification, Characterization, and Structural Studies of a Sulfatase from Pedobacter yulinensis .
Molecules, 27, 2021
7STU
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BU of 7stu by Molmil
Crystal structure of sulfatase from Pedobacter yulinensis
Descriptor: BROMIDE ION, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ...
Authors:O'Malley, A, Schlachter, C.R, Grimes, L.L, Tomashek, J.J, Lee, A.L, Chruszcz, M.
Deposit date:2021-11-15
Release date:2022-01-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Purification, Characterization, and Structural Studies of a Sulfatase from Pedobacter yulinensis .
Molecules, 27, 2021
7STT
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BU of 7stt by Molmil
Crystal structure of sulfatase from Pedobacter yulinensis
Descriptor: CALCIUM ION, CHLORIDE ION, MALONATE ION, ...
Authors:O'Malley, A, Schlachter, C.R, Grimes, L.L, Tomashek, J.J, Lee, A.L, Chruszcz, M.
Deposit date:2021-11-15
Release date:2022-01-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Purification, Characterization, and Structural Studies of a Sulfatase from Pedobacter yulinensis .
Molecules, 27, 2021
6NNR
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BU of 6nnr by Molmil
high-resolution structure of wild-type E. coli thymidylate synthase
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Stroud, R.M, Finer-Moore, J.
Deposit date:2019-01-15
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site.
J. Am. Chem. Soc., 135, 2013
2SXL
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BU of 2sxl by Molmil
SEX-LETHAL RBD1, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: SEX-LETHAL PROTEIN
Authors:Inoue, M, Muto, Y, Sakamoto, H, Kigawa, T, Takio, K, Shimura, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:1997-07-16
Release date:1998-07-22
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:A characteristic arrangement of aromatic amino acid residues in the solution structure of the amino-terminal RNA-binding domain of Drosophila sex-lethal.
J.Mol.Biol., 272, 1997

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