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4TOS
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BU of 4tos by Molmil
Crystal structure of Tankyrase 1 with 355
Descriptor: Tankyrase-1, ZINC ION, trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide
Authors:Chen, H, Zhang, X, Lum, l, Chen, C.
Deposit date:2014-06-06
Release date:2015-05-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
1TX4
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BU of 1tx4 by Molmil
RHO/RHOGAP/GDP(DOT)ALF4 COMPLEX
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, P50-RHOGAP, ...
Authors:Rittinger, K, Walker, P.A, Smerdon, S.J, Gamblin, S.J.
Deposit date:1997-07-29
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure at 1.65 A of RhoA and its GTPase-activating protein in complex with a transition-state analogue.
Nature, 389, 1997
2QYK
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BU of 2qyk by Molmil
Crystal structure of PDE4A10 in complex with inhibitor NPV
Descriptor: 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, Cyclic AMP-specific phosphodiesterase HSPDE4A10, MAGNESIUM ION, ...
Authors:Wang, H, Peng, M, Chen, Y, Geng, J, Robinson, H, Houslay, M.
Deposit date:2007-08-15
Release date:2008-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
7GU5
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BU of 7gu5 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster12
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RXH
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BU of 5rxh by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z939944666
Descriptor: 3-fluoro-4-(piperazin-1-yl)benzonitrile, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
3IUZ
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BU of 3iuz by Molmil
Crystal structure of Putative glyoxalase superfamily protein (YP_299723.1) from RALSTONIA EUTROPHA JMP134 at 1.90 A resolution
Descriptor: HEXAETHYLENE GLYCOL, Putative glyoxalase superfamily protein, TRIETHYLENE GLYCOL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-08-31
Release date:2009-09-08
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Putative glyoxalase superfamily protein (YP_299723.1) from RALSTONIA EUTROPHA JMP134 at 1.90 A resolution
To be published
7GSM
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BU of 7gsm by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000437b
Descriptor: (5P)-5-(furan-2-yl)thiophene-2-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GU4
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BU of 7gu4 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster11
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU7
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BU of 7gu7 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster15
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
4OMJ
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BU of 4omj by Molmil
Crystal structure of SPF bound to 2,3-oxidosqualene
Descriptor: (3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane, CHLORIDE ION, SEC14-like protein 2, ...
Authors:Christen, M, Marcaida, M.J, Lamprakis, C, Cascella, M, Stocker, A.
Deposit date:2014-01-27
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights on cholesterol endosynthesis: Binding of squalene and 2,3-oxidosqualene to supernatant protein factor.
J.Struct.Biol., 190, 2015
7GU9
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BU of 7gu9 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster17
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GSO
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BU of 7gso by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000029a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
4BW4
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BU of 4bw4 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
7GSW
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BU of 7gsw by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000422b
Descriptor: (3M)-3-(furan-2-yl)benzoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
5RXA
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BU of 5rxa by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434829
Descriptor: DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
Authors:Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
7GSN
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BU of 7gsn by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000519b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(thiophen-2-yl)methyl]benzoic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
6C1B
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BU of 6c1b by Molmil
FGFR1 kinase complex with inhibitor SN37118
Descriptor: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1
Authors:Yosaatmadja, Y, Smaill, J.B, Squire, C.J.
Deposit date:2018-01-04
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding the structural requirements for covalent inhibition of FGFR1-3
To Be Published
4CAW
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BU of 4caw by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand
Descriptor: 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
Deposit date:2013-10-09
Release date:2014-09-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
7GTZ
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BU of 7gtz by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster5
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU6
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BU of 7gu6 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster14
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GT2
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BU of 7gt2 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000752b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [(4-chlorophenyl)sulfanyl]acetic acid
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTB
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BU of 7gtb by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000899b
Descriptor: 1H-indole-5-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
3R8D
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BU of 3r8d by Molmil
Activation of the Human Nuclear Xenobiotic Receptor PXR by the Reverse Transcriptase-Targeted Anti-HIV Drug PNU-142721
Descriptor: 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE, Nuclear receptor subfamily 1 group I member 2
Authors:Cheng, Y, Redinbo, M.R.
Deposit date:2011-03-23
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation of the human nuclear xenobiotic receptor PXR by the reverse transcriptase-targeted anti-HIV drug PNU-142721.
Protein Sci., 20, 2011
1T6E
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BU of 1t6e by Molmil
Crystal Structure of the Triticum aestivum xylanase inhibitor I
Descriptor: GLYCEROL, xylanase inhibitor
Authors:Sansen, S, De Ranter, C.J, Gebruers, K, Brijs, K, Courtin, C.M, Delcour, J.A, Rabijns, A.
Deposit date:2004-05-06
Release date:2004-09-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for inhibition of Aspergillus niger xylanase by triticum aestivum xylanase inhibitor-I
J.Biol.Chem., 279, 2004
5RYU
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BU of 5ryu by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1545196403
Descriptor: 1,2-ETHANEDIOL, 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published

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