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6LU6
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BU of 6lu6 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound
分子名称: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2020-01-26
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.970063 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
1QQK
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BU of 1qqk by Molmil
THE CRYSTAL STRUCTURE OF FIBROBLAST GROWTH FACTOR 7 (KERATINOCYTE GROWTH FACTOR)
分子名称: FIBROBLAST GROWTH FACTOR 7
著者Ye, S, Luo, Y, Pelletier, H, McKeehan, W.L.
登録日1999-06-07
公開日2000-01-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for interaction of FGF-1, FGF-2, and FGF-7 with different heparan sulfate motifs.
Biochemistry, 40, 2001
7F5D
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BU of 7f5d by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound
分子名称: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.57150865 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7F5E
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BU of 7f5e by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound
分子名称: N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.20017123 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7F5C
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BU of 7f5c by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-07 bound
分子名称: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65004492 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
3NCQ
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BU of 3ncq by Molmil
GlnK2 from Archaeoglobus fulgidus, ATP complex
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A.
登録日2010-06-05
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
3NCR
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BU of 3ncr by Molmil
GlnK2 from Archaeoglubus fulgidus, ADP complex
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A.
登録日2010-06-05
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
3NCP
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BU of 3ncp by Molmil
GlnK2 from Archaeoglobus fulgidus
分子名称: CHLORIDE ION, Nitrogen regulatory protein P-II (GlnB-2)
著者Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A.
登録日2010-06-05
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
4FNV
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BU of 4fnv by Molmil
Crystal Structure of Heparinase III
分子名称: Heparinase III protein, heparitin sulfate lyase
著者Dong, W, Ye, S.
登録日2012-06-20
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of heparan sulfate-specific degradation by heparinase III.
Protein Cell, 3, 2012
5VK0
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BU of 5vk0 by Molmil
Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2017-04-20
公開日2018-04-25
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
5VK1
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BU of 5vk1 by Molmil
Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
分子名称: Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI, Protein Mdm4
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2017-04-20
公開日2018-04-25
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
4LB1
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BU of 4lb1 by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) Y16A/F28A mutant
分子名称: Neutrophil defensin 1
著者Tolbert, W.D, Wu, X, Pazgier, M.
登録日2013-06-20
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
4LBB
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BU of 4lbb by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) I20A mutant
分子名称: CHLORIDE ION, Neutrophil defensin 1
著者Tolbert, W.D, Wu, X, Pazgier, M.
登録日2013-06-20
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.719 Å)
主引用文献Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
4LB7
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BU of 4lb7 by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) Y16A/I20A/L25A/F28A mutant.
分子名称: Neutrophil defensin 1
著者Tolbert, W.D, Wu, X, Pazgier, M.
登録日2013-06-20
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
4LBF
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BU of 4lbf by Molmil
Crystal structure of HUMAN ALPHA-DEFENSIN 1 (HNP1) I20A/L25A mutant
分子名称: GLYCEROL, Neutrophil defensin 1
著者Tolbert, W.D, Wu, X, Pazgier, M.
登録日2013-06-20
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
7VD4
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BU of 7vd4 by Molmil
Crystal structure of BPTF-BRD with ligand TP248 bound
分子名称: 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B.
登録日2021-09-06
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85659146 Å)
主引用文献Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
著者Zhang, H, Luo, C.
登録日2019-09-09
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
著者Zhang, H, Luo, C.
登録日2019-09-09
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
3T2G
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BU of 3t2g by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, Y229F variant with DHAP
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
著者Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
登録日2011-07-22
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
7QBA
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BU of 7qba by Molmil
CryoEM structure of the ABC transporter NosDFY complexed with nitrous oxide reductase NosZ
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
著者Zipfel, S, Mueller, C, Topitsch, A, Lutz, M, Zhang, L, Einsle, O.
登録日2021-11-18
公開日2022-08-03
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
3T2D
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BU of 3t2d by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, FBP-bound form
分子名称: 1,6-di-O-phosphono-D-fructose, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
著者Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
登録日2011-07-22
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
3T9Z
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BU of 3t9z by Molmil
A. fulgidus GlnK3, ligand-free
分子名称: CITRATE ANION, Nitrogen regulatory protein P-II (GlnB-3)
著者Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A.
登録日2011-08-03
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate.
Plos One, 6, 2011
3TA1
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BU of 3ta1 by Molmil
A. fulgidus GlnK3, MgADP complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Nitrogen regulatory protein P-II (GlnB-3)
著者Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A.
登録日2011-08-03
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate.
Plos One, 6, 2011
3TA0
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BU of 3ta0 by Molmil
A. fulgidus GlnK3, MgATP complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II (GlnB-3)
著者Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A.
登録日2011-08-03
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate.
Plos One, 6, 2011
3T2C
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BU of 3t2c by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, DHAP-bound form
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
著者Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
登録日2011-07-22
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011

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