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3RZE
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BU of 3rze by Molmil
Structure of the human histamine H1 receptor in complex with doxepin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, ...
著者Shimamura, T, Han, G.W, Shiroishi, M, Weyand, S, Tsujimoto, H, Winter, G, Katritch, V, Abagyan, R, Cherezov, V, Liu, W, Kobayashi, T, Stevens, R, Iwata, S, GPCR Network (GPCR)
登録日2011-05-11
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the human histamine H1 receptor complex with doxepin.
Nature, 475, 2011
3SC8
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BU of 3sc8 by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-3
分子名称: 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, Human telomeric repeat sequence, POTASSIUM ION
著者Collie, G.W, Promontorio, R, Parkinson, G.N.
登録日2011-06-07
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural basis for telomeric g-quadruplex targeting by naphthalene diimide ligands.
J.Am.Chem.Soc., 134, 2012
3S2Y
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BU of 3s2y by Molmil
Crystal structure of a chromate/uranium reductase from Gluconacetobacter hansenii
分子名称: CHLORIDE ION, Chromate reductase, FLAVIN MONONUCLEOTIDE, ...
著者Jin, H, Zhang, Y, Buchko, G.W, Li, P, Squier, T.C, Robinson, H, Varnum, S.M, Long, P.E.
登録日2011-05-17
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Structure Determination and Functional Analysis of a Chromate Reductase from Gluconacetobacter hansenii.
Plos One, 7, 2012
3TUA
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BU of 3tua by Molmil
Crystal Structure of the Burkholderia Lethal Factor 1 (BLF1) C94S mutant
分子名称: Burkholderia Lethal Factor 1 (BLF1)
著者Cruz, A, Hautbergue, G.M, Artymiuk, P.J, Baker, P.J, Chang, C.T, Mahadi, N.M, Mobbs, G.W, Mohamed, R, Nathan, S, Partridge, L.J, Raih, M.F, Ruzheinikov, S.N, Sedelnikova, S.E, Wilson, S.A, Rice, D.W.
登録日2011-09-16
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献A Burkholderia pseudomallei toxin inhibits helicase activity of translation factor eIF4A.
Science, 334, 2011
3V2W
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BU of 3v2w by Molmil
Crystal Structure of a Lipid G protein-Coupled Receptor at 3.35A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera, ...
著者Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR)
登録日2011-12-12
公開日2012-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012
3UYH
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Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide compound, MM41
分子名称: 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, human telomeric DNA sequence
著者Collie, G.W, Neidle, S.
登録日2011-12-06
公開日2013-01-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells.
J.Med.Chem., 56, 2013
3V2Y
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Crystal Structure of a Lipid G protein-Coupled Receptor at 2.80A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera (E.C.3.2.1.17), ...
著者Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR)
登録日2011-12-12
公開日2012-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012
3GMT
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BU of 3gmt by Molmil
Crystal structure of adenylate kinase from burkholderia pseudomallei
分子名称: Adenylate kinase, SULFATE ION
著者Abendroth, J, Staker, B.L, Robinson, H, Buchko, G.W, Hewitt, S.N, Napuli, A.J, Van Voorhis, W, Stacy, R, Myler, P.J, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-15
公開日2009-06-02
最終更新日2013-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of Burkholderia pseudomallei adenylate kinase (Adk): profound asymmetry in the crystal structure of the 'open' state.
Biochem.Biophys.Res.Commun., 394, 2010
4E68
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BU of 4e68 by Molmil
Unphosphorylated STAT3B core protein binding to dsDNA
分子名称: DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3
著者Collie, G.W, Parkinson, G.N, Shah, R.
登録日2012-03-15
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.585 Å)
主引用文献Observation of unphosphorylated STAT3 core protein binding to target dsDNA by PEMSA and X-ray crystallography.
Febs Lett., 587, 2013
4E98
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BU of 4e98 by Molmil
Crystal structure of possible CutA1 divalent ion tolerance protein from Cryptosporidium parvum Iowa II
分子名称: CHLORIDE ION, CutA1 divalent ion tolerance protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Buchko, G.W, Robinson, H.
登録日2012-03-20
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a CutA1 divalent-cation tolerance protein from Cryptosporidium parvum, the protozoal parasite responsible for cryptosporidiosis.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4DJH
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BU of 4djh by Molmil
Structure of the human kappa opioid receptor in complex with JDTic
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CITRIC ACID, ...
著者Wu, H, Wacker, D, Katritch, V, Mileni, M, Han, G.W, Vardy, E, Liu, W, Thompson, A.A, Huang, X.P, Carroll, F.I, Mascarella, S.W, Westkaemper, R.B, Mosier, P.D, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
登録日2012-02-01
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献tructure of the human kappa-opioid receptor in complex with JDTic
Nature, 485, 2012
4DA3
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BU of 4da3 by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer bound by the naphthalene diimide compound MM41.
分子名称: 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION
著者Collie, G.W, Neidle, S.
登録日2012-01-12
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells.
J.Med.Chem., 56, 2013
4DAQ
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BU of 4daq by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer bound by the naphthalene diimide compound BMSG-SH-3
分子名称: 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION
著者Collie, G.W, Neidle, S.
登録日2012-01-13
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.754 Å)
主引用文献Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells.
J.Med.Chem., 56, 2013
4C38
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PKA-S6K1 Chimera with compound 21e (CCT239066) bound
分子名称: 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ...
著者Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
登録日2013-08-21
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
4C33
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PKA-S6K1 Chimera Apo
分子名称: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA
著者Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
登録日2013-08-21
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
4F83
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Crystal structure of the receptor binding domain of botulinum neurotoxin mosaic serotype C/D with a tetraethylene glycol molecule bound on the Hcn sub-domain and a sulfate ion at the putative active site
分子名称: GLYCEROL, SULFATE ION, TETRAETHYLENE GLYCOL, ...
著者Zhang, Y, Buchko, G.W, Gardberg, A, Edwards, T.E, Sankaran, B, Robinson, H, Varnum, S.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-16
公開日2012-06-20
最終更新日2013-06-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the functional role of the Hcn sub-domain of the receptor-binding domain of the botulinum neurotoxin mosaic serotype C/D.
Biochimie, 95, 2013
4EIY
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BU of 4eiy by Molmil
Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Liu, W, Chun, E, Thompson, A.A, Chubukov, P, Xu, F, Katritch, V, Han, G.W, Heitman, L.H, Ijzerman, A.P, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
登録日2012-04-06
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for allosteric regulation of GPCRs by sodium ions.
Science, 337, 2012
4C35
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PKA-S6K1 Chimera with compound 1 (NU1085) bound
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
登録日2013-08-21
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
3OGG
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BU of 3ogg by Molmil
Crystal structure of the receptor binding domain of botulinum neurotoxin D
分子名称: Botulinum neurotoxin type D
著者Zhang, Y, Gao, X, Qin, L, Buchko, G.W, Robinson, H, Varnum, S.M.
登録日2010-08-16
公開日2010-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Structural analysis of the receptor binding domain of botulinum neurotoxin serotype D.
Biochem.Biophys.Res.Commun., 401, 2010
3PBL
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Structure of the human dopamine D3 receptor in complex with eticlopride
分子名称: 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide, D(3) dopamine receptor, Lysozyme chimera, ...
著者Chien, E.Y.T, Liu, W, Han, G.W, Katritch, V, Zhao, Q, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
登録日2010-10-20
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of the human dopamine d3 receptor in complex with a d2/d3 selective antagonist.
Science, 330, 2010
3MTX
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BU of 3mtx by Molmil
Crystal structure of chicken MD-1
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, GLYCEROL, Protein MD-1, ...
著者Yoon, S.I, Hong, M, Han, G.W, Wilson, I.A.
登録日2010-05-01
公開日2010-06-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of soluble MD-1 and its interaction with lipid IVa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3PS5
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Crystal structure of the full-length Human Protein Tyrosine Phosphatase SHP-1
分子名称: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 6
著者Wang, W, Liu, L, Song, X, Mo, Y, Komma, C, Bellamy, H.D, Zhao, Z.J, Zhou, G.W.
登録日2010-11-30
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of human protein tyrosine phosphatase SHP-1 in the open conformation.
J.Cell.Biochem., 112, 2011
3MU3
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Crystal structure of chicken MD-1 complexed with lipid IVa
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose, GLYCEROL, ...
著者Yoon, S.I, Hong, M, Han, G.W, Wilson, I.A.
登録日2010-05-01
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of soluble MD-1 and its interaction with lipid IVa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3N2J
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Azurin H117G, oxidized form
分子名称: Azurin, COPPER (II) ION
著者Hoffmann, M, Alagaratnam, S, Canters, G.W, Einsle, O.
登録日2010-05-18
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Probing the reactivity of different forms of azurin by flavin photoreduction.
Febs J., 278, 2011
3PME
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BU of 3pme by Molmil
Crystal structure of the receptor binding domain of botulinum neurotoxin C/D mosaic serotype
分子名称: GLYCEROL, SULFATE ION, Type C neurotoxin
著者Zhang, Y, Buchko, G.W, Qin, L, Robinson, H, Varnum, S.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-11-16
公開日2010-12-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of the receptor binding domain of the botulinum C-D mosaic neurotoxin reveals potential roles of lysines 1118 and 1136 in membrane interactions.
Biochem.Biophys.Res.Commun., 404, 2011

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