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1PS3
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BU of 1ps3 by Molmil
Golgi alpha-mannosidase II in complex with kifunensine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase II, ...
Authors:Shah, N, Kuntz, D.A, Rose, D.R.
Deposit date:2003-06-20
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparison of Kifunensine and 1-Deoxymannojirimycin Binding to Class I and II alpha-Mannosidases Demonstrates Different Saccharide Distortions in Inverting and Retaining Catalytic Mechanisms
Biochemistry, 42, 2003
2HQE
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BU of 2hqe by Molmil
Crystal structure of human P100 Tudor domain: Large fragment
Descriptor: P100 Co-activator tudor domain
Authors:Shah, N, Zhao, M, Cheng, C, Xu, H, Yang, J, Silvennoinen, O, Liu, Z.J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2006-07-18
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a large fragment of the Human P100 Tudor Domain
To be Published
3CZN
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BU of 3czn by Molmil
Golgi alpha-mannosidase II (D204A nucleophile mutant) in complex with GnMan5Gn
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Alpha-mannosidase 2, ...
Authors:Shah, N, Rose, D.R.
Deposit date:2008-04-29
Release date:2008-06-24
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Golgi alpha-mannosidase II cleaves two sugars sequentially in the same catalytic site.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CV5
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BU of 3cv5 by Molmil
GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with 3alpha,6alpha-mannopentaose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ...
Authors:Shah, N, Kuntz, D.A, Rose, D.R.
Deposit date:2008-04-17
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Golgi alpha-mannosidase II cleaves two sugars sequentially in the same catalytic site.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CZS
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BU of 3czs by Molmil
Golgi alpha-mannosidase II (D204A nucleophile mutant)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ...
Authors:Shah, N, Rose, D.R.
Deposit date:2008-04-29
Release date:2008-06-24
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Golgi alpha-mannosidase II cleaves two sugars sequentially in the same catalytic site.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2FZF
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BU of 2fzf by Molmil
Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus
Descriptor: hypothetical protein
Authors:Fu, Z.-Q, Liu, Z.-J, Lee, D, Kelley, L, Chen, L, Tempel, W, Shah, N, Horanyi, P, Lee, H.S, Habel, J, Dillard, B.D, Nguyen, D, Chang, S.-H, Zhang, H, Chang, J, Sugar, F.J, Poole, F.L, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2006-02-09
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus
To be published
4NM7
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BU of 4nm7 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 e-motif
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4NM3
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BU of 4nm3 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4NM0
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BU of 4nm0 by Molmil
Crystal structure of peptide inhibitor-free GSK-3/Axin complex
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4NU1
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BU of 4nu1 by Molmil
Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-12-03
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4NM5
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BU of 4nm5 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 c-motif
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Axin-1, CHLORIDE ION, ...
Authors:Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
6NT2
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BU of 6nt2 by Molmil
type 1 PRMT in complex with the inhibitor GSK3368715
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ...
Authors:Concha, N.O.
Deposit date:2019-01-28
Release date:2019-07-10
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss.
Cancer Cell, 36, 2019
6GVE
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BU of 6gve by Molmil
GAPDH-CP12-PRK complex
Descriptor: CP12 polypeptide, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:McFarlane, C.R, Shah, N, Bubeck, D, Murray, J.W.
Deposit date:2018-06-20
Release date:2019-07-03
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 116, 2019
7NTN
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BU of 7ntn by Molmil
The structure of RRM domain of human TRMT2A at 2 A resolution
Descriptor: CHLORIDE ION, SODIUM ION, SULFATE ION, ...
Authors:Davydova, E, Janowski, R, Witzenberger, M, Niessing, D.
Deposit date:2021-03-10
Release date:2022-01-19
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (2.016 Å)
Cite:Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
7NTO
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BU of 7nto by Molmil
The structure of RRM domain of human TRMT2A at 1.23 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Witzenberger, M, Janowski, R, Davydova, E, Niessing, D.
Deposit date:2021-03-10
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
7MP3
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BU of 7mp3 by Molmil
Grb7-SH2 domain in complex with bicyclic peptide B8
Descriptor: Growth factor receptor-bound protein 7, bicyclic peptide B8, {[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
Authors:Colson, R, Wilce, M.C.J, Wilce, J.A.
Deposit date:2021-05-04
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Enhancing the Bioactivity of Bicyclic Peptides Targeted to Grb7-SH2 by Restoring Cell Permeability.
Biomedicines, 10, 2022
6VN2
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BU of 6vn2 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 18
Descriptor: 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN3
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BU of 6vn3 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 23
Descriptor: 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN6
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BU of 6vn6 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 14
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN5
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BU of 6vn5 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 7
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN4
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BU of 6vn4 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 1
Descriptor: 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6WAA
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BU of 6waa by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ...
Authors:Noeske, J, Shu, W, Bellamacina, C.
Deposit date:2020-03-24
Release date:2020-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6B9L
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BU of 6b9l by Molmil
Crystal structure of EphA2 with peptide 135E2
Descriptor: Ephrin type-A receptor 2, HIS TAG CLEAVED OFF, peptide 135E2, ...
Authors:Song, J, Tan, X.
Deposit date:2017-10-10
Release date:2018-10-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-Based Design of Novel EphA2 Agonistic Agents with Nanomolar Affinity in Vitro and in Cell.
ACS Chem. Biol., 13, 2018
2HPV
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BU of 2hpv by Molmil
Crystal structure of FMN-Dependent azoreductase from Enterococcus faecalis
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Liu, Z.J, Chen, L, Chen, H, Rose, J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2006-07-17
Release date:2006-09-12
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Fmn-Dependent Azoreductase from Enterococcus faecalis at 2.00 A resolution
To be Published
4LV8
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BU of 4lv8 by Molmil
Murine IRGa6 bound to Toxoplasma ROP5C, a pseudokinase GDI
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Reese, M.L, Boothroyd, J.C.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Murine IRGa6 bound to Toxoplasma ROP5C, a pseudokinase GDI
To be Published

 

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