Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
2NDJ
DownloadVisualize
BU of 2ndj by Molmil
Structural Basis for KCNE3 and Estrogen Modulation of the KCNQ1 Channel
Descriptor: Potassium voltage-gated channel subfamily E member 3
Authors:Sanders, C.R, Van Horn, W.D, Kroncke, B.M, Sisco, N.J, Meiler, J, Vanoye, C.G, Song, Y, Nannemann, D.P, Welch, R.C, Kang, C, Smith, J, George, A.L.
Deposit date:2016-06-09
Release date:2016-09-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for KCNE3 modulation of potassium recycling in epithelia.
Sci Adv, 2, 2016
1CNP
DownloadVisualize
BU of 1cnp by Molmil
THE STRUCTURE OF CALCYCLIN REVEALS A NOVEL HOMODIMERIC FOLD FOR S100 CA2+-BINDING PROTEINS, NMR, 22 STRUCTURES
Descriptor: CALCYCLIN (RABBIT, APO)
Authors:Potts, B.C.M, Smith, J, Akke, M, Macke, T.J, Okazaki, K, Hidaka, H, Case, D.A, Chazin, W.J.
Deposit date:1995-08-31
Release date:1996-10-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The structure of calcyclin reveals a novel homodimeric fold for S100 Ca(2+)-binding proteins.
Nat.Struct.Biol., 2, 1995
2KYJ
DownloadVisualize
BU of 2kyj by Molmil
Structure of the scorpion toxin U1-Liotoxin-Lw1a
Descriptor: LITX
Authors:Smith, J, Hill, J, Alewood, P.F, King, G.F.
Deposit date:2010-05-28
Release date:2011-06-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of the scorpion toxin U1-Liotoxin-Lw1a
To be Published
4K91
DownloadVisualize
BU of 4k91 by Molmil
Crystal structure of Penicillin-Binding Protein 5 (PBP5) from Pseudomonas aeruginosa in apo state
Descriptor: D-ala-D-ala-carboxypeptidase, SUCCINIC ACID
Authors:Smith, J, Toth, M, Vakulenko, S, Mobashery, S, Chen, Y.
Deposit date:2013-04-19
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural analysis of the role of Pseudomonas aeruginosa penicillin-binding protein 5 in beta-lactam resistance.
Antimicrob.Agents Chemother., 57, 2013
6XCJ
DownloadVisualize
BU of 6xcj by Molmil
Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ...
Authors:Raymond, D.D, Chug, H, Harrison, S.C.
Deposit date:2020-06-08
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
6XRT
DownloadVisualize
BU of 6xrt by Molmil
Cryo-EM structure of SHIV-elicited RHA1.V2.01 in complex with HIV-1 Env BG505 DS-SOSIP.664
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-07-13
Release date:2020-10-07
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
6WKU
DownloadVisualize
BU of 6wku by Molmil
Twelve Chloride Ions Drive Assembly of Human alpha345 Collagen IV NC1 domain
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ...
Authors:Boudko, S.P, Hudson, B.G.
Deposit date:2020-04-17
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Collagen IV alpha 345 dysfunction in glomerular basement membrane diseases. II. Crystal structure of the alpha 345 hexamer.
J.Biol.Chem., 296, 2021
8BSN
DownloadVisualize
BU of 8bsn by Molmil
Human GLS in complex with compound 27
Descriptor: (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
Authors:Debreczeni, J.E.
Deposit date:2022-11-25
Release date:2023-01-18
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSL
DownloadVisualize
BU of 8bsl by Molmil
Human GLS in complex with compound 12
Descriptor: Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide
Authors:Debreczeni, J.E.
Deposit date:2022-11-25
Release date:2023-01-18
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSK
DownloadVisualize
BU of 8bsk by Molmil
Human GLS in complex with compound 3
Descriptor: Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
Authors:Debreczeni, J.E.
Deposit date:2022-11-25
Release date:2023-01-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSM
DownloadVisualize
BU of 8bsm by Molmil
Human GLS in complex with compound 18
Descriptor: 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
Authors:Debreczeni, J.E.
Deposit date:2022-11-25
Release date:2023-01-18
Method:X-RAY DIFFRACTION (2.782 Å)
Cite:Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
1FGT
DownloadVisualize
BU of 1fgt by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q697N MUTANT
Descriptor: FE (III) ION, SEED LIPOXYGENASE-1
Authors:Tomchick, D.R, Minor, W, Holman, T.
Deposit date:2000-07-28
Release date:2001-07-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
1FGQ
DownloadVisualize
BU of 1fgq by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q495E MUTANT
Descriptor: FE (III) ION, SEED LIPOXYGENASE-1
Authors:Tomchick, D.R, Minor, W, Holman, T.
Deposit date:2000-07-28
Release date:2001-07-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
1FGR
DownloadVisualize
BU of 1fgr by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q697E MUTANT
Descriptor: FE (III) ION, SEED LIPOXYGENASE-1
Authors:Tomchick, D.R, Minor, W, Holman, T.
Deposit date:2000-07-28
Release date:2001-07-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
8FPT
DownloadVisualize
BU of 8fpt by Molmil
STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE
Descriptor: Alpha-synuclein
Authors:Barclay, A.M, Dhavale, D.D, Borcik, C.G, Rau, M.J, Basore, K, Milchberg, M.H, Warmuth, O.A, Kotzbauer, P.T, Rienstra, C.M, Schwieters, C.D.
Deposit date:2023-01-05
Release date:2023-02-22
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structure of alpha-synuclein fibrils derived from human Lewy body dementia tissue.
Biorxiv, 2023
6GQJ
DownloadVisualize
BU of 6gqj by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18)
Descriptor: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Mast/stem cell growth factor receptor Kit
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQO
DownloadVisualize
BU of 6gqo by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18)
Descriptor: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Vascular endothelial growth factor receptor 2
Authors:Ogg, D.J, Schimpl, M, Hardy, C.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQM
DownloadVisualize
BU of 6gqm by Molmil
Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229
Descriptor: CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQK
DownloadVisualize
BU of 6gqk by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23)
Descriptor: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQP
DownloadVisualize
BU of 6gqp by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23)
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Authors:Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQL
DownloadVisualize
BU of 6gql by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35)
Descriptor: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQQ
DownloadVisualize
BU of 6gqq by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35)
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
8TXY
DownloadVisualize
BU of 8txy by Molmil
X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera
Descriptor: DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ...
Authors:Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M.
Deposit date:2023-08-24
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
7U5B
DownloadVisualize
BU of 7u5b by Molmil
Structure of Human KLK5 bound to anti-KLK5 Fab
Descriptor: Kallikrein-5, SULFATE ION, anti-KLK5 Fab Heavy Chain, ...
Authors:Yin, J, Sudhamsu, J.
Deposit date:2022-03-02
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.371 Å)
Cite:Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis.
Sci Transl Med, 14, 2022
8FFJ
DownloadVisualize
BU of 8ffj by Molmil
Structure of Zanidatamab bound to HER2
Descriptor: Receptor tyrosine-protein kinase erbB-2, Zanidatamab Heavy Chain A, Zanidatamab Heavy Chain B, ...
Authors:Worrall, L.J, Atkinson, C.E, Sanches, M, Dixit, S, Strynadka, N.C.J.
Deposit date:2022-12-08
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Zanidatamab, an Anti-HER2 Biparatopic that Induces Unique Surface HER2 Clusters and Complement-Dependent Cytotoxicity
To be Published

221051

數據於2024-06-12公開中

PDB statisticsPDBj update infoContact PDBjnumon