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6B4W
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BU of 6b4w by Molmil
TTK in Complex with Inhibitor
分子名称: 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK
著者Delker, S, Chamberlain, P.P.
登録日2017-09-27
公開日2017-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
5EDS
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BU of 5eds by Molmil
Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5
分子名称: 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2015-10-21
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
6BN1
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BU of 6bn1 by Molmil
Salvador Hippo SARAH domain complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, Scaffold protein salvador, ...
著者Cairns, L, Kavran, J.M.
登録日2017-11-15
公開日2018-03-14
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Salvador has an extended SARAH domain that mediates binding to Hippo kinase.
J. Biol. Chem., 293, 2018
4UZD
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BU of 4uzd by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: AURORA KINASE A, ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
著者Pouzieux, S, Delarbre, L, Crenne, J.Y.
登録日2014-09-05
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
4UZH
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BU of 4uzh by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN
著者Pouzieux, S, Maignan, S, Crenne, J.Y.
登録日2014-09-05
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
5HXB
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BU of 5hxb by Molmil
Cereblon in complex with DDB1, CC-885, and GSPT1
分子名称: 1-(3-chloro-4-methylphenyl)-3-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)urea, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
著者Chamberlain, P.P, Matyskiela, M, Pagarigan, B.
登録日2016-01-30
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A novel cereblon modulator recruits GSPT1 to the CRL4(CRBN) ubiquitin ligase.
Nature, 535, 2016
5BTM
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BU of 5btm by Molmil
Crystal structure of AUUCU repeating RNA that causes spinocerebellar ataxia type 10 (SCA10)
分子名称: MAGNESIUM ION, RNA (55-mer), SODIUM ION
著者Park, H.
登録日2015-06-03
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.778 Å)
主引用文献Crystallographic and Computational Analyses of AUUCU Repeating RNA That Causes Spinocerebellar Ataxia Type 10 (SCA10).
Biochemistry, 54, 2015
2B3P
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BU of 2b3p by Molmil
Crystal structure of a superfolder green fluorescent protein
分子名称: ACETIC ACID, CADMIUM ION, green fluorescent protein
著者Pedelacq, J.D, Cabantous, S, Tran, T.H, Terwilliger, T.C, Waldo, G.S.
登録日2005-09-20
公開日2005-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Engineering and characterization of a superfolder green fluorescent protein.
Nat.Biotechnol., 24, 2006
2B3Q
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BU of 2b3q by Molmil
Crystal structure of a well-folded variant of green fluorescent protein
分子名称: MAGNESIUM ION, green fluorescent protein
著者Pedelacq, J.D, Cabantous, S, Tran, T.H, Terwilliger, T.C, Waldo, G.S.
登録日2005-09-20
公開日2005-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering and characterization of a superfolder green fluorescent protein.
Nat.Biotechnol., 24, 2006
3K48
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BU of 3k48 by Molmil
Crystal structure of APRIL bound to a peptide
分子名称: Tumor necrosis factor ligand superfamily member 13, peptide
著者Hymowitz, S.G.
登録日2009-10-05
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Multiple novel classes of APRIL-specific receptor-blocking peptides isolated by phage display.
J.Mol.Biol., 396, 2010
4K27
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BU of 4k27 by Molmil
Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function
分子名称: CHLORIDE ION, MAGNESIUM ION, Myotonic Dystrophy Type 2 RNA
著者Park, H, Lohman, J, Disney, M.D.
登録日2013-04-08
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function
ACS CHEM.BIOL., 2013
3S96
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BU of 3s96 by Molmil
Crystal structure of 3B5H10
分子名称: 3B5H10 FAB heavy chain, 3B5H10 FAB light chain
著者Weisgraber, K, Peters-Libeu, C, Rutenber, E, Newhouse, Y, Finkbeiner, S.
登録日2011-05-31
公開日2012-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure.
J.Mol.Biol., 421, 2012
6O89
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BU of 6o89 by Molmil
Anti-CD28xCD3 CODV Fab
分子名称: Anti-CD28xCD3 CODV-Fab Heavy chain, Anti-CD28xCD3 CODV-Fab Light chain
著者Lord, D.M, Wei, R.R.
登録日2019-03-09
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
Nat Cancer, 1, 2020
6O8D
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BU of 6o8d by Molmil
Anti-CD28xCD3 CODV Fab bound to CD28
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-CD28xCD3 CODV Fab Heavy chain, ...
著者Lord, D.M, Wei, R.R.
登録日2019-03-09
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.547 Å)
主引用文献Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
To Be Published
8C1V
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BU of 8c1v by Molmil
SARS-CoV-2 S-trimer (3 RBDs up) bound to TriSb92, fitted into cryo-EM map
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sb92, ...
著者Huiskonen, J.T, Rissanen, I, Hannula, L.
登録日2022-12-21
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Intranasal trimeric sherpabody inhibits SARS-CoV-2 including recent immunoevasive Omicron subvariants.
Nat Commun, 14, 2023
4BWO
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BU of 4bwo by Molmil
The FedF adhesin from entrrotoxigenic Escherichia coli is a sulfate- binding lectin
分子名称: BROMIDE ION, F18 FIMBRIAL ADHESIN AC, SULFATE ION
著者Lonardi, E, Moonens, K, Buts, L, de Boer, A.R, Olsson, J.D.M, Weiss, M.S, Fabre, E, Guerardel, Y, Deelder, A.M, Oscarson, S, Wuhrer, M, Bouckaert, J.
登録日2013-07-03
公開日2013-08-28
最終更新日2014-05-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia Coli
Biology, 2, 2013
7QQB
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BU of 7qqb by Molmil
Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ...
著者Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2022-01-07
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody.
Sci Transl Med, 15, 2023
7A1X
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BU of 7a1x by Molmil
KRASG12C GDP form in complex with Cpd1
分子名称: 3-(imidazol-1-ylmethyl)-1~{H}-indole, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mathieu, M, Steier, V.
登録日2020-08-14
公開日2021-10-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
7A1W
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BU of 7a1w by Molmil
KRASG12C GDP form in complex with Cpd3
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
著者Mathieu, M, Steier, V.
登録日2020-08-14
公開日2021-10-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
7A1Y
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BU of 7a1y by Molmil
KRASG12C GDP form in complex with Cpd2
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Mathieu, M, Steier, V.
登録日2020-08-14
公開日2021-10-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
2JF1
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BU of 2jf1 by Molmil
CRYSTAL STRUCTURE OF THE FILAMIN A REPEAT 21 COMPLEXED WITH THE INTEGRIN BETA2 CYTOPLASMIC TAIL PEPTIDE
分子名称: FILAMIN-A, GLYCEROL, INTEGRIN BETA-2 SUBUNIT
著者Kiema, T, Ylanne, J.
登録日2007-01-25
公開日2008-02-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Beta2 Integrin Phosphorylation on Thr758 Acts as a Molecular Switch to Regulate 14-3-3 and Filamin Binding.
Blood, 112, 2008
7ZL3
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BU of 7zl3 by Molmil
Signal peptide mimicry primes Sec61 for client-selective inhibition
分子名称: Cyclic depsipeptide signal peptide mimic, Protein transport protein Sec61 subunit alpha, Protein transport protein Sec61 subunit beta, ...
著者Rehan, S, Paavilainen O, V.
登録日2022-04-13
公開日2023-03-22
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Signal peptide mimicry primes Sec61 for client-selective inhibition.
Nat.Chem.Biol., 19, 2023
4OYS
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BU of 4oys by Molmil
CRYSTAL STRUCTURE OF VPS34 IN COMPLEX WITH SAR405.
分子名称: (8S)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3, SULFATE ION
著者Mathieu, M, Marquette, J.p.
登録日2014-02-13
公開日2014-10-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A highly potent and selective Vps34 inhibitor alters vesicle trafficking and autophagy.
Nat.Chem.Biol., 10, 2014
2Z23
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BU of 2z23 by Molmil
Crystal structure of Y.pestis oligo peptide binding protein OppA with tri-lysine ligand
分子名称: Periplasmic oligopeptide-binding protein, peptide (LYS)(LYS)(LYS)
著者Tanabe, M, Bertland, T, Mirza, O, Byrne, B, Brown, K.A.
登録日2007-05-17
公開日2007-10-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of OppA and PstS from Yersinia pestis indicate variability of interactions with transmembrane domains.
Acta Crystallogr.,Sect.D, 63, 2007
2Z22
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Crystal structure of phosphate preplasmic binding protein psts from yersinia pestis
分子名称: PHOSPHATE ION, Periplasmic phosphate-binding protein
著者Tanabe, M, Byrne, B, Brown, K.A, Mirza, O, Bertland, T.
登録日2007-05-17
公開日2007-10-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of OppA and PstS from Yersinia pestis indicate variability of interactions with transmembrane domains.
Acta Crystallogr.,Sect.D, 63, 2007

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