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1SGS
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Crystal structure of a free kB DNA
分子名称: CALCIUM ION, kB DNA
著者Huang, D.B, Phelps, C.B, Fusco, A.J, Ghosh, G.
登録日2004-02-24
公開日2004-03-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a free kappaB DNA: insights into DNA recognition by transcription factor NF-kappaB.
J.Mol.Biol., 346, 2005
2V0X
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BU of 2v0x by Molmil
The dimerization domain of LAP2alpha
分子名称: LAMINA-ASSOCIATED POLYPEPTIDE 2 ISOFORMS ALPHA/ZETA
著者Bradley, C.M, Jones, S, Huang, Y, Suzuki, Y, Kvaratskhelia, M, Hickman, A.B, Craigie, R, Dyda, F.
登録日2007-05-20
公開日2007-06-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Dimerization of Lap2Alpha, a Component of the Nuclear Lamina.
Structure, 15, 2007
2VEW
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CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR
分子名称: 3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
著者Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W.
登録日2007-10-27
公開日2007-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
2BOS
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BU of 2bos by Molmil
A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR
分子名称: N-BUTANE, PROTEIN (SHIGA-LIKE TOXIN IIE B SUBUNIT), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, ...
著者Ling, H, Boodhoo, A, Armstrong, G.D, Clark, C.G, Brunton, J.L, Read, R.J.
登録日1998-10-20
公開日1999-10-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A mutant Shiga-like toxin IIe bound to its receptor Gb(3): structure of a group II Shiga-like toxin with altered binding specificity.
Structure Fold.Des., 8, 2000
3MA3
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BU of 3ma3 by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a naphtho-difuran ligand
分子名称: Pimtide, Proto-oncogene serine/threonine-protein kinase pim-1, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid
著者Filippakopoulos, P, Bullock, A, Fedorov, O, Vollmar, M, von Delft, F, Cochet, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-03-23
公開日2010-04-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
Faseb J., 24, 2010
8HKP
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BU of 8hkp by Molmil
Structurally hetero-junctional human Cx36/GJD2 gap junction channel in detergents (C6 symmetry)
分子名称: Gap junction delta-2 protein, Lauryl Maltose Neopentyl Glycol
著者Lee, S.N, Cho, H.J, Jeong, H, Ryu, B, Lee, H.J, Lee, H.H, Woo, J.S.
登録日2022-11-27
公開日2023-03-22
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of human Cx36/GJD2 neuronal gap junction channel.
Nat Commun, 14, 2023
6Q8H
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Structure of Fucosylated D-antimicrobial peptide SB10 in complex with the Fucose-binding lectin PA-IIL at 1.707 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.L.
登録日2018-12-14
公開日2019-03-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
6Q87
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Structure of Fucosylated D-antimicrobial peptide SB10 in complex with the Fucose-binding lectin PA-IIL at 2.541 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2018-12-14
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
7AYR
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BU of 7ayr by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B115
分子名称: Dipeptidyl peptidase 8, PHOSPHATE ION, trimethylamine oxide, ...
著者Ross, B.H, Huber, R.
登録日2020-11-13
公開日2021-06-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
7AYQ
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Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B114
分子名称: Dipeptidyl peptidase 8, GLYCEROL, PHOSPHATE ION, ...
著者Ross, B, Huber, R.
登録日2020-11-13
公開日2021-06-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
2BXS
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BU of 2bxs by Molmil
Human Monoamine Oxidase A in complex with Clorgyline, Crystal Form B
分子名称: AMINE OXIDASE [FLAVIN-CONTAINING] A, FLAVIN-ADENINE DINUCLEOTIDE, N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE
著者De Colibus, L, Binda, C, Edmondson, D.E, Mattevi, A.
登録日2005-07-27
公開日2005-08-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B
Proc.Natl.Acad.Sci.USA, 102, 2005
6Q8D
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BU of 6q8d by Molmil
Structure of Fucosylated D-antimicrobial peptide SB15 in complex with the Fucose-binding lectin PA-IIL at 1.630 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2018-12-14
公開日2019-03-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
7ZXS
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BU of 7zxs by Molmil
Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295
分子名称: 1,2-ETHANEDIOL, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, DI(HYDROXYETHYL)ETHER, ...
著者Ross, B, Huber, R.
登録日2022-05-22
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
3DKF
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BU of 3dkf by Molmil
Structure of MET receptor tyrosine kinase in complex with inhibitor SGX-523
分子名称: 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor
著者Hendle, J.
登録日2008-06-24
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
6Q6W
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BU of 6q6w by Molmil
Structure of Fucosylated D-antimicrobial peptide SB5 in complex with the Fucose-binding lectin PA-IIL at 1.438 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.L.
登録日2018-12-12
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.438 Å)
主引用文献X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
7ZWV
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BU of 7zwv by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 17
分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWY
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BU of 7zwy by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 21
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWO
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BU of 7zwo by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 2
分子名称: (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine, 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWS
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BU of 7zws by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 13
分子名称: 1,2-ETHANEDIOL, 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWR
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BU of 7zwr by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 11
分子名称: 1,2-ETHANEDIOL, 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWX
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BU of 7zwx by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 19
分子名称: 1,2-ETHANEDIOL, 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWP
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BU of 7zwp by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 7
分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
著者Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
6Q77
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BU of 6q77 by Molmil
Structure of Fucosylated D-antimicrobial peptide SB12 in complex with the Fucose-binding lectin PA-IIL at 2.002 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2018-12-12
公開日2019-03-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
7ZWZ
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BU of 7zwz by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 22
分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
3MPP
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BU of 3mpp by Molmil
Botulinum Neurotoxin Type G Receptor Binding Domain
分子名称: Botulinum neurotoxin type G
著者Schmitt, J.M, Lacy, D.B.
登録日2010-04-27
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural analysis of botulinum neurotoxin type G receptor binding .
Biochemistry, 49, 2010

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