Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7KMV
DownloadVisualize
BU of 7kmv by Molmil
Structure of Malaysian Banana Lectin F84T
分子名称: Jacalin-type lectin domain-containing protein, SULFATE ION
著者Meagher, J.L, Stuckey, J.A.
登録日2020-11-03
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity.
Sci Rep, 11, 2021
3SW4
DownloadVisualize
BU of 3sw4 by Molmil
Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor
分子名称: ACETATE ION, Cyclin-dependent kinase 2, N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine
著者Kang, Y.N, Stuckey, J.A.
登録日2011-07-13
公開日2012-08-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the CDK2 in complex with a thiazolylpyrimidine inhibitor
To be Published
3SPF
DownloadVisualize
BU of 3spf by Molmil
Crystal Structure of Bcl-xL bound to BM501
分子名称: 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL
著者Meagher, J.L, Stuckey, J.A.
登録日2011-07-01
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012
6U9K
DownloadVisualize
BU of 6u9k by Molmil
MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153)
分子名称: 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2019-09-09
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
6U6F
DownloadVisualize
BU of 6u6f by Molmil
The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21
分子名称: 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z.
登録日2019-08-29
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U9N
DownloadVisualize
BU of 6u9n by Molmil
MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139)
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION
著者Petrunak, E.M, Stuckey, J.A.
登録日2019-09-09
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
6U9R
DownloadVisualize
BU of 6u9r by Molmil
MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140)
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION
著者Petrunak, E.M, Stuckey, J.A.
登録日2019-09-09
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
3SP7
DownloadVisualize
BU of 3sp7 by Molmil
Crystal Structure of Bcl-xL bound to BM903
分子名称: 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid, ACETATE ION, Bcl-2-like protein 1, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2011-07-01
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors
To be Published
6U9M
DownloadVisualize
BU of 6u9m by Molmil
MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109)
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2019-09-09
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
3SW7
DownloadVisualize
BU of 3sw7 by Molmil
Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor
分子名称: Cyclin-dependent kinase 2, N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethyl-2-nitrobenzene-1,4-diamine
著者Kang, Y.N, Stuckey, J.A.
登録日2011-07-13
公開日2012-08-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor
To be Published
3TWF
DownloadVisualize
BU of 3twf by Molmil
Crystal structure of the de novo designed fluorinated peptide alpha4F3a
分子名称: ACETYL GROUP, SODIUM ION, TRIETHYLENE GLYCOL, ...
著者Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
登録日2011-09-21
公開日2012-03-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TWE
DownloadVisualize
BU of 3twe by Molmil
Crystal Structure of the de novo designed peptide alpha4H
分子名称: ACETYL GROUP, TRIETHYLENE GLYCOL, alpha4H
著者Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
登録日2011-09-21
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TWG
DownloadVisualize
BU of 3twg by Molmil
Crystal structure of the de novo designed fluorinated peptide alpha4F3af3d
分子名称: alpha4F3af3d
著者Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
登録日2011-09-21
公開日2012-03-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
6CJF
DownloadVisualize
BU of 6cjf by Molmil
Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43
分子名称: 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2018-02-26
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
6DHS
DownloadVisualize
BU of 6dhs by Molmil
Structure of hnRNP H qRRM1,2
分子名称: Heterogeneous nuclear ribonucleoprotein H
著者Meagher, J.L, Stuckey, J.A.
登録日2018-05-21
公開日2018-09-12
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H.
J. Am. Chem. Soc., 2018
6DS9
DownloadVisualize
BU of 6ds9 by Molmil
Elongated version of a de novo designed three helix bundle structure (GRa3D)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, THIOCYANATE ION, ...
著者Koebke, K.J, Ruckthong, L.R, Meagher, J.L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-06-13
公開日2018-10-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Clarifying the Copper Coordination Environment in a de Novo Designed Red Copper Protein.
Inorg Chem, 57, 2018
6EGN
DownloadVisualize
BU of 6egn by Molmil
Crystal Structure of a Three-stranded Coiled Coil Peptide Containing a Trigonal Planar Hg(II)S3 Site Modified by D-Leu in the Second Coordination Sphere
分子名称: CHLORIDE ION, Hg(II)(GRAND CoilSerL16CL19(DLE))3-, MERCURY (II) ION, ...
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-20
公開日2019-04-03
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
6EGO
DownloadVisualize
BU of 6ego by Molmil
Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing an Ala Residue in the Second Coordination Sphere of the Hg(II)S3 Binding Site
分子名称: Hg(II)(GRAND CoilSerL12AL16C)3-, MERCURY (II) ION, ZINC ION
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-20
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
6EGM
DownloadVisualize
BU of 6egm by Molmil
Crystal Structure of a de novo Three-stranded Coiled Coil Peptide Containing D-Leu in a d-site Position of a Tris-thiolate Binding Site
分子名称: Apo-(GRAND CoilSerL16CL19(DLE))3, ZINC ION
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-20
公開日2019-04-03
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
6EGL
DownloadVisualize
BU of 6egl by Molmil
Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing a D-Leu in the Second Coordination Sphere of a Non-metalated Tris-thiolate Binding Site
分子名称: Apo-(GRAND CoilSerL12(DLE)L16C)3, POLYETHYLENE GLYCOL (N=34), ZINC ION
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-20
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
6EGP
DownloadVisualize
BU of 6egp by Molmil
Crystal Structure of a Trigonal Pyramidal Pb(II)S3 Complex in a Three-stranded Coiled coil Peptide
分子名称: LEAD (II) ION, Pb(II)(GRAND CoilSerL12AL16C)3-, ZINC ION
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-20
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal Structure of a Trigonal Pyramidal Pb(II)S3 Complex in a Three-stranded Coiled coil Peptide
To Be Published
6CJG
DownloadVisualize
BU of 6cjg by Molmil
Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46
分子名称: 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2018-02-26
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
4PIK
DownloadVisualize
BU of 4pik by Molmil
Crystal Structure of Banana Lectin bound to dimannose
分子名称: GLYCEROL, Ripening-associated protein, alpha-D-mannopyranose, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2014-05-08
公開日2015-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4PG1
DownloadVisualize
BU of 4pg1 by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound
分子名称: (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ...
著者Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
登録日2014-05-01
公開日2014-11-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4PGI
DownloadVisualize
BU of 4pgi by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Analogs Bound
分子名称: 1,2-ETHANEDIOL, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, ...
著者Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
登録日2014-05-02
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014

221716

件を2024-06-26に公開中

PDB statisticsPDBj update infoContact PDBjnumon