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4JOL
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BU of 4jol by Molmil
Complex structure of AML1-ETO NHR2 domain with HEB fragment
Descriptor: Protein CBFA2T1, Transcription factor 12
Authors:Wang, Z, Patel, D.J.
Deposit date:2013-03-18
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:A stable transcription factor complex nucleated by oligomeric AML1-ETO controls leukaemogenesis.
Nature, 500, 2013
3GZ9
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BU of 3gz9 by Molmil
Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd) in Complex with a Full Agonist
Descriptor: (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2009-04-06
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
3GYU
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BU of 3gyu by Molmil
Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 7
Descriptor: (5beta,14beta,17alpha,25R)-3-oxocholest-7-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1
Authors:Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J.
Deposit date:2009-04-05
Release date:2009-07-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes.
Proc.Natl.Acad.Sci.USA, 106, 2009
3H0A
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BU of 3h0a by Molmil
Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist
Descriptor: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 1, Co-activator Peptide, ...
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2009-04-08
Release date:2009-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
3FRJ
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BU of 3frj by Molmil
Crystal Structure of 11b-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Piperidyl Benzamide Inhibitor
Descriptor: Corticosteroid 11-beta-Dehydrogenase, Isozyme 1, N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, ...
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2009-01-08
Release date:2009-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and optimization of piperidyl benzamide derivatives as a novel class of 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3GYT
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BU of 3gyt by Molmil
Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4
Descriptor: (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1
Authors:Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J.
Deposit date:2009-04-05
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes.
Proc.Natl.Acad.Sci.USA, 106, 2009
5CL1
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BU of 5cl1 by Molmil
Complex structure of Norrin with human Frizzled 4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, Maltose-binding periplasmic protein,Norrin
Authors:Wang, Z, Ke, J, Shen, G, Cheng, Z, Xu, H.E, Xu, W.
Deposit date:2015-07-16
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis of the Norrin-Frizzled 4 interaction.
Cell Res., 25, 2015
3D5Q
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BU of 3d5q by Molmil
Crystal Structure of 11b-HSD1 in Complex with Triazole Inhibitor
Descriptor: 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Liu, J, Sudom, A, Walker, N.P.C.
Deposit date:2008-05-16
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1.
Bioorg.Med.Chem., 16, 2008
3CZR
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BU of 3czr by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor
Descriptor: (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2008-04-29
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 18, 2008
3D4N
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BU of 3d4n by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Sulfonamide Inhibitor
Descriptor: 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Liu, J, Sudom, A, Walker, N.P.
Deposit date:2008-05-14
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
3D3E
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BU of 3d3e by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Benzamide Inhibitor
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Sudom, A, Liu, J, Walker, N.P.
Deposit date:2008-05-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
6EF4
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BU of 6ef4 by Molmil
Crystal structure of mouse PP2A Aalpha P179R mutant
Descriptor: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
Authors:Wang, Z, Shen, G, Xu, W.
Deposit date:2018-08-16
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Highly Recurrent PP2A A alpha-Subunit Mutation P179R Alters Protein Structure and Impairs PP2A Enzyme Function to Promote Endometrial Tumorigenesis.
Cancer Res., 79, 2019
5HKP
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BU of 5hkp by Molmil
Crystal structure of mouse Tankyrase/human TRF1 complex
Descriptor: Tankyrase-1, Telomeric repeat-binding factor 1
Authors:Wang, Z, Li, B, Rao, Z, Xu, W.
Deposit date:2016-01-14
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a tankyrase 1-telomere repeat factor 1 complex.
Acta Crystallogr F Struct Biol Commun, 72, 2016
8GT6
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BU of 8gt6 by Molmil
human STING With agonist HB3089
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
8GSZ
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BU of 8gsz by Molmil
Structure of STING SAVI-related mutant V147L
Descriptor: Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
3KJF
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BU of 3kjf by Molmil
Caspase 3 Bound to a covalent inhibitor
Descriptor: (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-3
Authors:Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G.
Deposit date:2009-11-03
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
3KJN
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BU of 3kjn by Molmil
Caspase 8 bound to a covalent inhibitor
Descriptor: (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8
Authors:Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G.
Deposit date:2009-11-03
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
7WKH
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BU of 7wkh by Molmil
the grass carp IFNa
Descriptor: Interferon
Authors:Zou, J, WANG, J, Wang, Z.
Deposit date:2022-01-09
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and Functional Analyses of Type I IFNa Shed Light Into Its Interaction With Multiple Receptors in Fish.
Front Immunol, 13, 2022
3K8S
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BU of 3k8s by Molmil
Crystal Structure of PPARg in complex with T2384
Descriptor: 2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide, Peroxisome proliferator-activated receptor gamma
Authors:Wang, Z.
Deposit date:2009-10-14
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:T2384, a novel antidiabetic agent with unique peroxisome proliferator-activated receptor gamma binding properties
J.Biol.Chem., 283, 2008
3KJQ
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BU of 3kjq by Molmil
Caspase 8 with covalent inhibitor
Descriptor: (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-8
Authors:Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G.
Deposit date:2009-11-03
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
3LYO
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BU of 3lyo by Molmil
CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN 95% ACETONITRILE-WATER
Descriptor: ACETONITRILE, LYSOZYME
Authors:Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y.
Deposit date:1998-03-11
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture.
Biochim.Biophys.Acta, 1384, 1998
3O36
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BU of 3o36 by Molmil
Crystal structure of TRIM24 PHD-Bromo complexed with H4(14-19)K16ac peptide
Descriptor: Histone H4, Transcription intermediary factor 1-alpha, ZINC ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2010-07-23
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:TRIM24 links a non-canonical histone signature to breast cancer.
Nature, 468, 2010
3O35
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BU of 3o35 by Molmil
Crystal structure of TRIM24 PHD-Bromo complexed with H3(23-31)K27ac peptide
Descriptor: Histone H3.1, Transcription intermediary factor 1-alpha, ZINC ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2010-07-23
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:TRIM24 links a non-canonical histone signature to breast cancer.
Nature, 468, 2010
5CP7
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BU of 5cp7 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides
Descriptor: Heavy Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7, Light Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7
Authors:Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
Deposit date:2015-07-21
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
5CP3
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BU of 5cp3 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole
Descriptor: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
Deposit date:2015-07-21
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019

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