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5B7V
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Human FGFR1 kinase in complex with CH5183284
分子名称: Fibroblast growth factor receptor 1, SULFATE ION, [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone
著者Fukami, T.A, Lukacs, C.M, Janson, C.
登録日2016-06-09
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor
Mol.Cancer Ther., 13, 2014
5B8C
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BU of 5b8c by Molmil
High resolution structure of the human PD-1 in complex with pembrolizumab Fv
分子名称: Pembrolizumab heavy chain variable region (PemVH), Pembrolizumab light chain variable region (PemVL), Programmed cell death protein 1
著者Horita, S, Shimamura, T, Iwata, S, Nomura, N.
登録日2016-06-14
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.146 Å)
主引用文献High-resolution crystal structure of the therapeutic antibody pembrolizumab bound to the human PD-1
Sci Rep, 6, 2016
5BOU
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BU of 5bou by Molmil
Yeast 20S proteasome in complex with a beta1 / beta2 specific non-peptidic sulfonamide Ligand
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide, ...
著者Beck, P, Groll, M.
登録日2015-05-27
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of a beta 1/ beta 2-Specific Sulfonamide Proteasome Ligand by Crystallographic Screening.
Angew.Chem.Int.Ed.Engl., 54, 2015
4AXZ
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BU of 4axz by Molmil
Borrelia burgdorferi outer surface lipoprotein BBA73
分子名称: PUTATIVE ANTIGEN P35
著者Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Baumanis, V, Tars, K.
登録日2012-06-15
公開日2013-05-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Characterization of the Borrelia Burgdorferi Outer Surface Protein Bba73 Implicates Dimerization as a Functional Mechanism.
Biochem.Biophys.Res.Commun., 434, 2013
5ANT
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BU of 5ant by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
分子名称: 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5AUW
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BU of 5auw by Molmil
Crystal structure of DAPK1 in complex with quercetin.
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
4Z34
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BU of 4z34 by Molmil
Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Lysophosphatidic acid receptor 1, Soluble cytochrome b562, ...
著者Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
登録日2015-03-30
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4AZY
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BU of 4azy by Molmil
Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10)
分子名称: (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ...
著者Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J.
登録日2012-06-27
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5AV2
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BU of 5av2 by Molmil
Crystal structure of DAPK1-kaempferol complex in the presence of bromide ions.
分子名称: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, BROMIDE ION, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5BPP
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BU of 5bpp by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ
分子名称: 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ...
著者Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q.
登録日2015-05-28
公開日2016-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
4ZC7
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BU of 4zc7 by Molmil
Paromomycin bound to a leishmanial ribosomal A-site
分子名称: PAROMOMYCIN, RNA duplex
著者Shalev, M, Rozenberg, H, Jaffe, C.L, Adir, N, Baasov, T.
登録日2015-04-15
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.041 Å)
主引用文献Structural basis for selective targeting of leishmanial ribosomes: aminoglycoside derivatives as promising therapeutics.
Nucleic Acids Res., 43, 2015
4ATK
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BU of 4atk by Molmil
MITF:E-box complex
分子名称: 5'-D(*AP*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*T)-3', MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR
著者Pogenberg, V, Deineko, V, Wilmanns, M.
登録日2012-05-08
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf
Genes Dev., 26, 2012
4ZFO
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BU of 4zfo by Molmil
J22.9-xi: chimeric mouse/human antibody against human BCMA (CD269)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, J22.9-xi Fab, ...
著者Marino, S.F, Daumke, O, Olal, D.
登録日2015-04-21
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Potent anti-tumor response by targeting B cell maturation antigen (BCMA) in a mouse model of multiple myeloma.
Mol Oncol, 9, 2015
2PJ5
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BU of 2pj5 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-1-Benzyloxycarbonylamino-hexyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
分子名称: (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PLQ
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BU of 2plq by Molmil
Crystal structure of the amidase from geobacillus pallidus RAPc8
分子名称: Aliphatic amidase
著者Kimani, S.W, Sewell, B.T, Agarkar, V.B, Sayed, M.F, Cowan, D.A.
登録日2007-04-20
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The quaternary structure of the amidase from Geobacillus pallidus RAPc8 is revealed by its crystal packing.
Acta Crystallogr.,Sect.F, 62, 2006
5AUT
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BU of 5aut by Molmil
Crystal structure of DAPK1 in complex with ANS.
分子名称: 8-ANILINO-1-NAPHTHALENE SULFONATE, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M, Kosaka, Y.
登録日2015-06-10
公開日2015-10-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AV0
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BU of 5av0 by Molmil
Crystal structure of DAPK1 in complex with 7,3',4'-trihydroxyisoflavone.
分子名称: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUX
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BU of 5aux by Molmil
Crystal structure of DAPK1 in complex with kaempferol.
分子名称: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, Death-associated protein kinase 1
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
3ZH4
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BU of 3zh4 by Molmil
crystal structure of S. pneumoniae Hungary 19A MurA1 in complex with citrate
分子名称: CITRATE ANION, DI(HYDROXYETHYL)ETHER, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
著者Gutierrez-Fernandez, J, Hermoso, J.A.
登録日2012-12-20
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Heteroresistance to Fosfomycin is Predominant in Streptococcus Pneumoniae and Depends on Mura1 Gene.
Antimicrob.Agents Chemother., 57, 2013
3ZJF
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BU of 3zjf by Molmil
A20 OTU domain with irreversibly oxidised Cys103 from 270 min H2O2 soak.
分子名称: A20P50, CHLORIDE ION
著者Kulathu, Y, Garcia, F.J, Mevissen, T.E.T, Busch, M, Arnaudo, N, Carroll, K.S, Barford, D, Komander, D.
登録日2013-01-17
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Regulation of A20 and Other Otu Deubiquitinases by Reversible Oxidation
Nat.Commun., 4, 2013
2PJ8
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(biphenyl-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX
分子名称: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PMS
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BU of 2pms by Molmil
Crystal structure of the complex of human lactoferrin N-lobe and lactoferrin-binding domain of pneumococcal surface protein A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
著者Chattopadhyay, D, Senkovich, O, Cook, W.J.
登録日2007-04-23
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structure of a Complex of Human Lactoferrin N-lobe with Pneumococcal Surface Protein A Provides Insight into Microbial Defense Mechanism.
J.Mol.Biol., 370, 2007
3ZTC
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pVHL54-213-EloB-EloC complex _ (2S,4R)-N-((1,1'-biphenyl)-4-ylmethyl)- 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2- carboxamide
分子名称: (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ...
著者Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A.
登録日2011-07-06
公開日2012-07-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
3ZWT
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Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor
分子名称: 2-{[(2,5-DICHLOROPHENYL)METHYL]SULFANYL}-5-ETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL, ACETATE ION, CHLORIDE ION, ...
著者Acklam, P.A, Parsons, M.R.
登録日2011-08-02
公開日2012-06-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Factors Influencing the Specificity of Inhibitor Binding to the Human and Malaria Parasite Dihydroorotate Dehydrogenases.
J.Med.Chem., 55, 2012

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