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6ST2
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BU of 6st2 by Molmil
Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Descriptor: Affimer AF6, Bcl-2-like protein 1, SULFATE ION
Authors:Hobor, F, Miles, J.A, Trinh, C.H, Taylor, J, Tiede, C, Rowell, P.R, Jackson, B, Nadat, F, Kyle, H.F, Wicky, B.I.M, Clarke, J, Tomlinson, D.C, Wilson, A.J, Edwards, T.A.
Deposit date:2019-09-09
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*.
Chembiochem, 22, 2021
6STJ
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BU of 6stj by Molmil
Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Descriptor: Cystatin domain-containing protein, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Hobor, F, Miles, J.A, Trinh, C.H, Taylor, J, Tiede, C, Rowell, P.R, Jackson, B, Nadat, F, Kyle, H.F, Wicky, B.I.M, Clarke, J, Tomlinson, D.C, Wilson, A.J, Edwards, T.A.
Deposit date:2019-09-10
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*.
Chembiochem, 22, 2021
4CSJ
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BU of 4csj by Molmil
The discovery of potent selective glucocorticoid receptor modulators, suitable for inhalation
Descriptor: 1,2-ETHANEDIOL, GLUCOCORTICOID RECEPTOR, N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide, ...
Authors:Edman, K, Ahlgren, R, Bengtsson, M, Bladh, H, Backstrom, S, Dahmen, J, Henriksson, K, Hillertz, P, Hulikal, V, Jerre, A, Kinchin, L, Kase, C, Lepisto, M, Mile, I, Nilsson, S, Smailagic, A, Taylor, J, Tjornebo, A, Wissler, L, Hansson, T.
Deposit date:2014-03-07
Release date:2014-05-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Discovery of Potent and Selective Non-Steroidal Glucocorticoid Receptor Modulators, Suitable for Inhalation.
Bioorg.Med.Chem.Lett., 24, 2014
1D4U
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BU of 1d4u by Molmil
INTERACTIONS OF HUMAN NUCLEOTIDE EXCISION REPAIR PROTEIN XPA WITH RPA70 AND DNA: CHEMICAL SHIFT MAPPING AND 15N NMR RELAXATION STUDIES
Descriptor: NUCLEOTIDE EXCISION REPAIR PROTEIN XPA (XPA-MBD), ZINC ION
Authors:Buchko, G.W, Daughdrill, G.W, de Lorimier, R, Rao, S, Isern, N.G, Lingbeck, J, Taylor, J, Wold, M.S, Gochin, M, Spicer, L.D, Lowry, D.F, Kennedy, M.A.
Deposit date:1999-10-06
Release date:1999-10-17
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Interactions of human nucleotide excision repair protein XPA with DNA and RPA70 Delta C327: chemical shift mapping and 15N NMR relaxation studies.
Biochemistry, 38, 1999
8GC7
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BU of 8gc7 by Molmil
Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
Authors:Gajewski, S.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8GC8
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BU of 8gc8 by Molmil
Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, Tyrosine-protein kinase BTK
Authors:Gajewski, S.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
5FP8
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BU of 5fp8 by Molmil
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- ylmethylaminopyridine-4-carboxylic acid
Descriptor: 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FPB
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BU of 5fpb by Molmil
Crystal structure of human KDM4D in complex with 2-1H-pyrazol-4-yloxy- 3H,4H-pyrido-3,4-d-pyrimidin-4-one
Descriptor: 2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP4
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BU of 5fp4 by Molmil
Crystal structure of human KDM4D in complex with 3-(4- phenylbutanamido)pyridine-4-carboxylic acid
Descriptor: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP3
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BU of 5fp3 by Molmil
Cell penetrant inhibitors of the JMJD2 (KDM4) and JARID1 (KDM5) families of histone lysine demethylases
Descriptor: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, BICINE, COBALT (II) ION, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP9
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BU of 5fp9 by Molmil
Crystal structure of human KDM4D in complex with 3-aminopyridine-4- carboxylic acid
Descriptor: 3-AMINOPYRIDINE-4-CARBOXYLIC ACID, COBALT (II) ION, GLYCEROL, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FPA
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BU of 5fpa by Molmil
Crystal structure of human KDM4D in complex with 3H,4H-pyrido-3,4-d- pyrimidin-4-one
Descriptor: 3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
1HBJ
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BU of 1hbj by Molmil
X-ray Crystal structure of complex between Torpedo californica AChE and a reversible inhibitor, 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline
Descriptor: 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Greenblatt, H.M, Kryger, G, Lewis, T.L, Doucet, C, Viner, R, Silman, I, Sussman, J.L.
Deposit date:2001-04-16
Release date:2001-09-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Structure-Based Design Approach to the Development of Novel, Reversible Ache Inhibitors
J.Med.Chem., 44, 2001
6HJL
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BU of 6hjl by Molmil
Affimer:BclxL
Descriptor: Affimer ADB13, Bcl-2-like protein 1
Authors:Miles, J.A, Trinh, C.H, Tomlinson, D.C, Wilson, A.J, Edwards, T.A.
Deposit date:2018-09-04
Release date:2020-03-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Biorxiv, 2020
5FP7
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BU of 5fp7 by Molmil
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- yl methylaminopyridine-4-carboxylic acid
Descriptor: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-11-09
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 2. Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives.
J. Med. Chem., 59, 2016
3UIZ
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BU of 3uiz by Molmil
Crystal structure of SefD_dscA in D2O
Descriptor: Chimera protein of SefD and SefA
Authors:Garnett, J.A, Wei-chao, L, Liu, B, Matthews, S.J.
Deposit date:2011-11-07
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Promoting crystallisation of the Salmonella enteritidis fimbriae 14 pilin SefD using deuterium oxide.
Biochem.Biophys.Res.Commun., 421, 2012
3UIY
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BU of 3uiy by Molmil
Crystal structure of SefD_dscA in H2O
Descriptor: Chimera protein of SefD and SefA
Authors:Garnett, J.A, Wei-chao, L, Liu, B, Matthews, S.J.
Deposit date:2011-11-07
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Promoting crystallisation of the Salmonella enteritidis fimbriae 14 pilin SefD using deuterium oxide.
Biochem.Biophys.Res.Commun., 421, 2012
4P1Z
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BU of 4p1z by Molmil
Structure of the MID domain from MIWI
Descriptor: Piwi-like protein 1
Authors:Cora, E, McCarthy, A.A, Pillai, R.S.
Deposit date:2014-02-28
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The MID-PIWI module of Piwi proteins specifies nucleotide- and strand-biases of piRNAs.
Rna, 20, 2014
3RGU
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BU of 3rgu by Molmil
Structure of Fap-NRa at pH 5.0
Descriptor: Fimbriae-associated protein Fap1, alpha-D-glucopyranose
Authors:Garnett, J.A, Matthews, S.J.
Deposit date:2011-04-09
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insight into the role of Streptococcus parasanguinis Fap1 within oral biofilm formation.
Biochem.Biophys.Res.Commun., 417, 2012
4IVZ
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BU of 4ivz by Molmil
A Y37F mutant of C.Esp1396I bound to its highest affinity operator site OM
Descriptor: DNA (5'-D(*AP*TP*GP*TP*AP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*TP*AP*CP*A)-3'), Regulatory protein
Authors:Martin, R.N.A, McGeehan, J.E, Kneale, G.G.
Deposit date:2013-01-23
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I.
Plos One, 9, 2014
1F7C
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BU of 1f7c by Molmil
CRYSTAL STRUCTURE OF THE BH DOMAIN FROM GRAF, THE GTPASE REGULATOR ASSOCIATED WITH FOCAL ADHESION KINASE
Descriptor: RHOGAP PROTEIN
Authors:Longenecker, K.L, Derewenda, U, Sheffield, P.J, Zheng, Y, Derewenda, Z.S.
Deposit date:2000-06-26
Release date:2000-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the BH domain from graf and its implications for Rho GTPase recognition.
J.Biol.Chem., 275, 2000

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