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3WH0
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BU of 3wh0 by Molmil
Structure of Pin1 Complex with 18-crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Lee, C.C, Liu, C.I, Jeng, W.Y, Wang, A.H.J.
Deposit date:2013-08-20
Release date:2014-10-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crowning proteins: modulating the protein surface properties using crown ethers.
Angew.Chem.Int.Ed.Engl., 53, 2014
3I6C
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BU of 3i6c by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (II)
Descriptor: 3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Greasley, S.E, Ferre, R.A.
Deposit date:2009-07-06
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (II).
Bioorg.Med.Chem.Lett., 20, 2010
3KAC
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BU of 3kac by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 3-(1H-benzimidazol-2-yl)propanoic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KAG
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BU of 3kag by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KCE
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BU of 3kce by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 5-methyl-1H-indole-2-carboxylic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-21
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3V6A
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BU of 3v6a by Molmil
Helical repeat structure of apoptosis inhibitor 5 reveals protein-protein interaction modules
Descriptor: Apoptosis inhibitor 5
Authors:Lee, B.I, Han, B.G, Lee, S.J.
Deposit date:2011-12-19
Release date:2012-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Helical repeat structure of apoptosis inhibitor 5 reveals protein-protein interaction modules.
J.Biol.Chem., 287, 2012
4J0W
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BU of 4j0w by Molmil
Structure of U3-55K
Descriptor: U3 small nucleolar RNA-interacting protein 2
Authors:Zhang, L, Lin, J, Ye, K.
Deposit date:2013-01-31
Release date:2013-06-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional analysis of the U3 snoRNA binding protein Rrp9.
Rna, 19, 2013
4TNS
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BU of 4tns by Molmil
Structure of Pin1 PPIase domain bound with all-trans retinoic acid
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, RETINOIC ACID
Authors:Li, W.Z, Zhang, Y.
Deposit date:2014-06-04
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structure of Pin1 PPIase domain bound with all-trans retinoic acid
To Be Published
4JMJ
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BU of 4jmj by Molmil
Structure of dusp11
Descriptor: CHLORIDE ION, PHOSPHATE ION, RNA/RNP complex-1-interacting phosphatase
Authors:Jeong, D.G, Kim, S.J, Ryu, S.E.
Deposit date:2013-03-14
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:The family-wide structure and function of human dual-specificity protein phosphatases.
Acta Crystallogr.,Sect.D, 70, 2014
4NYH
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BU of 4nyh by Molmil
Orthorhombic crystal form of pir1 dual specificity phosphatase core
Descriptor: CHLORIDE ION, PHOSPHATE ION, RNA/RNP complex-1-interacting phosphatase
Authors:Sankhala, R.S, Lokareddy, R.K, Cingolani, G.
Deposit date:2013-12-10
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of Human PIR1, an Atypical Dual-Specificity Phosphatase.
Biochemistry, 53, 2014
4JXM
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BU of 4jxm by Molmil
Crystal structure of RRP9 WD40 repeats
Descriptor: U3 small nucleolar RNA-interacting protein 2, UNKNOWN ATOM OR ION
Authors:Wu, X, Tempel, W, Xu, C, El Bakkouri, M, He, H, Seitova, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-03-28
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of RRP9 WD40 repeats
To be Published
2B3A
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BU of 2b3a by Molmil
Solution structure of the Ras-binding domain of the Ral Guanosine Dissociation Stimulator
Descriptor: Ral guanine nucleotide dissociation stimulator
Authors:Gronwald, W, Maurer, T, Fuechsl, R, Wohlgemuth, S, Herrmann, C, Kalbitzer, H.R.
Deposit date:2005-09-20
Release date:2006-09-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:New insights into binding of the possible cancer target RalGDS
To be Published
2L4Z
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BU of 2l4z by Molmil
NMR structure of fusion of CtIP (641-685) to LMO4-LIM1 (18-82)
Descriptor: DNA endonuclease RBBP8,LIM domain transcription factor LMO4, ZINC ION
Authors:Liew, C, Stokes, P.H, Kwan, A.H, Matthews, J.M.
Deposit date:2010-10-22
Release date:2011-10-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural Basis of the Interaction of the Breast Cancer Oncogene LMO4 with the Tumour Suppressor CtIP/RBBP8.
J.Mol.Biol., 425, 2013
4ZNS
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BU of 4zns by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative
Descriptor: 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
Authors: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.
Deposit date:2015-05-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3D9O
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BU of 3d9o by Molmil
Snapshots of the RNA processing factor SCAF8 bound to different phosphorylated forms of the Carboxy-Terminal Domain of RNA-Polymerase II
Descriptor: AMMONIUM ION, CTD-PEPTIDE, RNA-binding protein 16, ...
Authors:Becker, R, Loll, B, Meinhart, A.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Snapshots of the RNA Processing Factor SCAF8 Bound to Different Phosphorylated Forms of the Carboxyl-terminal Domain of RNA Polymerase II.
J.Biol.Chem., 283, 2008
7ABH
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BU of 7abh by Molmil
Human pre-Bact-2 spliceosome (SF3b/U2 snRNP portion)
Descriptor: Cell division cycle 5-like protein, DNA/RNA-binding protein KIN17, MINX M3 pre-mRNA, ...
Authors:Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R.
Deposit date:2020-09-07
Release date:2020-12-09
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation.
Science, 370, 2020
3D9L
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BU of 3d9l by Molmil
Snapshots of the RNA processing factor SCAF8 bound to different phosphorylated forms of the Carboxy-Terminal Domain of RNA-Polymerase II
Descriptor: ACETATE ION, CTD-PEPTIDE, GLYCEROL, ...
Authors:Becker, R, Loll, B, Meinhart, A.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Snapshots of the RNA Processing Factor SCAF8 Bound to Different Phosphorylated Forms of the Carboxyl-terminal Domain of RNA Polymerase II.
J.Biol.Chem., 283, 2008
3D9M
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BU of 3d9m by Molmil
Snapshots of the RNA processing factor SCAF8 bound to different phosphorylated forms of the Carboxy-Terminal Domain of RNA-Polymerase II
Descriptor: AMMONIUM ION, CTD-PEPTIDE, RNA-binding protein 16, ...
Authors:Becker, R, Loll, B, Meinhart, A.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Snapshots of the RNA Processing Factor SCAF8 Bound to Different Phosphorylated Forms of the Carboxyl-terminal Domain of RNA Polymerase II.
J.Biol.Chem., 283, 2008
7VSI
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BU of 7vsi by Molmil
Structure of human SGLT2-MAP17 complex bound with empagliflozin
Descriptor: (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, PALMITIC ACID, PDZK1-interacting protein 1, ...
Authors:Chen, L, Niu, Y, Liu, R.
Deposit date:2021-10-26
Release date:2021-12-15
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis of inhibition of the human SGLT2-MAP17 glucose transporter.
Nature, 601, 2022
4ZNU
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BU of 4znu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methyl-substituted OBHS derivative
Descriptor: 2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
Authors: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.
Deposit date:2015-05-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
6A8I
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BU of 6a8i by Molmil
Crystal structure of endo-arabinanase ABN-TS D147N mutant in complex with arabinohexaose
Descriptor: CALCIUM ION, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose, endo-alpha-(1->5)-L-arabinanase
Authors:Yamaguchi, A, Tada, T.
Deposit date:2018-07-09
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of endo-1,5-alpha-L-arabinanase mutants from Bacillus thermodenitrificans TS-3 in complex with arabino-oligosaccharides.
Acta Crystallogr F Struct Biol Commun, 74, 2018
8BN7
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BU of 8bn7 by Molmil
CjCel5C endo-glucanase
Descriptor: Cellulase, putative, cel5C
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2022-11-13
Release date:2023-11-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.182 Å)
Cite:A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
8BQB
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BU of 8bqb by Molmil
CjCel5C endo-glucanase bound to CB396 covalent inhibitor
Descriptor: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Cellulase, putative, ...
Authors:McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J.
Deposit date:2022-11-20
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
4ZNW
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BU of 4znw by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 4-Bromo-substituted OBHS derivative
Descriptor: 4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
Authors: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.
Deposit date:2015-05-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4XE9
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BU of 4xe9 by Molmil
Crystal structure of the NanB sialidase from Streptococcus pneumoniae in complex with Optactin
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2014-12-23
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published

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