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5L1M
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CASKIN2 SAM domain tandem
分子名称: Caskin-2
著者Donaldson, L.W, Kwan, J.J, Saridakis, V.
登録日2016-07-29
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献A new mode of SAM domain mediated oligomerization observed in the CASKIN2 neuronal scaffolding protein.
Cell Commun. Signal, 14, 2016
5L3D
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Human LSD1/CoREST: LSD1 Y761H mutation
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1
著者Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A.
登録日2016-04-06
公開日2016-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors.
Hum.Mol.Genet., 25, 2016
4ZMG
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Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338
分子名称: 1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Ren, X.L, Zhu, J.S, Zhu, L.L, Li, H.L.
登録日2015-05-04
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338
To Be Published
5KJM
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SMYD2 in complex with AZ931
分子名称: 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
4ZQL
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Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
分子名称: 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, ...
著者Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-05-10
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
To Be Published
3I4A
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Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine
分子名称: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N5-(1-iminopropyl)-L-ornithine
著者Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Fast, W, Robertus, J.D.
登録日2009-07-01
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
5VMX
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Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a hemi CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS)
分子名称: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*CP*GP*CP*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ...
著者Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
登録日2017-04-28
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
5VMV
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Kaiso (ZBTB33) zinc finger DNA binding domain in complex with its double CpG-methylated DNA consensus binding site
分子名称: CHLORIDE ION, DNA (5'-D(*TP*GP*CP*TP*TP*CP*TP*(5CM)P*GP*(5CM)P*GP*AP*GP*AP*AP*GP*CP*A)-3'), Transcriptional regulator Kaiso, ...
著者Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
登録日2017-04-28
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
5VO2
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DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7)
分子名称: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2017-05-01
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
4YZD
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Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Concha, N.O.
登録日2015-03-24
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
5VPY
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Crystal structure of human KRAS G12A mutant in complex with GppNHp
分子名称: 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one, GTPase KRas, MAGNESIUM ION, ...
著者Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
登録日2017-05-06
公開日2017-12-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
5VQ2
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Crystal structure of human WT-KRAS in complex with GTP
分子名称: GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
登録日2017-05-07
公開日2017-12-06
最終更新日2017-12-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
5VQ8
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BU of 5vq8 by Molmil
Crystal structure of human WT-KRAS in complex with GDP (EDTA soaked)
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
登録日2017-05-08
公開日2017-12-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
4Z36
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Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-3080573
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid, 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2015-07-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
5LAE
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BU of 5lae by Molmil
Crystal structure of murine N1-acetylpolyamine oxidase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase,Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
著者Sjogren, T, Aagaard, A, Snijder, A, Barlind, L.
登録日2016-06-14
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Biochemistry, 56, 2017
5VDU
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Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F2
分子名称: 2-(pyridin-2-yl)pyrimidine, Cyclic GMP-AMP synthase, ZINC ION
著者Byrnes, L.J, Hall, J.D.
登録日2017-04-03
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.729 Å)
主引用文献The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
1SXE
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BU of 1sxe by Molmil
The solution structure of the Pointed (PNT) domain from the transcrition factor Erg
分子名称: Transcriptional regulator ERG
著者Mackereth, C.D, Schaerpf, M, Gentile, L.N, MacIntosh, S.E, Slupsky, C.M, McIntosh, L.P.
登録日2004-03-30
公開日2004-09-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Diversity in Structure and Function of the Ets Family PNT Domains.
J.Mol.Biol., 342, 2004
4Z68
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Hybrid structural analysis of the Arp2/3 regulator Arpin identifies its acidic tail as a primary binding epitope
分子名称: GLU-ILE-ARG-GLU-GLN-GLY-ASP-GLY-ALA-GLU-ASP-GLU, SULFATE ION, Tankyrase-2
著者Fetics, S.K, Campanacci, V, Dang, I, Gautreau, A, Cherfils, J.
登録日2015-04-04
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Hybrid Structural Analysis of the Arp2/3 Regulator Arpin Identifies Its Acidic Tail as a Primary Binding Epitope.
Structure, 24, 2016
4ZNV
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Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative
分子名称: 2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3I5W
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BU of 3i5w by Molmil
Crystal structure of human alpha-defensin 5 (mutant R13H)
分子名称: CHLORIDE ION, CITRATE ANION, Defensin-5
著者Pazgier, M, Lu, W.
登録日2009-07-06
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Selective arginines are important for the antibacterial activity and host cell interaction of human alpha-defensin 5
Febs Lett., 583, 2009
5LBO
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Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001
分子名称: (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者Singh, A.K, Brown, D.G.
登録日2016-06-16
公開日2018-03-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
1CBI
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BU of 1cbi by Molmil
APO-CELLULAR RETINOIC ACID BINDING PROTEIN I
分子名称: CELLULAR RETINOIC ACID BINDING PROTEIN I
著者Thompson, J.R, Bratt, J.M, Banaszak, L.J.
登録日1995-07-12
公開日1995-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of cellular retinoic acid binding protein I shows increased access to the binding cavity due to formation of an intermolecular beta-sheet.
J.Mol.Biol., 252, 1995
4ZPO
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Crystal Structure of Protocadherin Gamma C5 EC1-3
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MCG133388, ...
著者Wolcott, H.N, Goodman, K.M, Bahna, F, Mannepalli, S, Rubinstein, R, Honig, B, Shapiro, L.
登録日2015-05-08
公開日2015-10-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
5VDV
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Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F3
分子名称: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION, ...
著者Byrnes, L.J, Hall, J.D.
登録日2017-04-03
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
1CCV
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NMR SOLUTION STRUCTURE OF APIS MELLIFERA CHYMOTRYPSIN INHIBITOR (AMCI).
分子名称: CHYMOTRYPSIN INHIBITOR
著者Cierpicki, T, Otlewski, J.
登録日1999-03-02
公開日1999-03-12
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR solution structure of Apis mellifera chymotrypsin/cathepsin G inhibitor-1 (AMCI-1): structural similarity with Ascaris protease inhibitors
Protein Sci., 9, 2000

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