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7WI6
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BU of 7wi6 by Molmil
Cryo-EM structure of LY341495/NAM-bound mGlu3
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
7WIH
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BU of 7wih by Molmil
Cryo-EM structure of LY2794193-bound mGlu3
Descriptor: (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
7WI8
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BU of 7wi8 by Molmil
Cryo-EM structure of inactive mGlu3 bound to LY341495
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
8WEX
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BU of 8wex by Molmil
Crystal structure of N-acetyl sugar amidotransferase from Legionella pneumophila
Descriptor: N-acetyl sugar amidotransferase, ZINC ION
Authors:Gao, J, Xu, W, Ge, H.
Deposit date:2023-09-19
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural Characterization of an N-Acetyl Sugar Amidotransferase Involved in the Lipopolysaccharide Biosynthesis in Bacteria.
Int J Mol Sci, 24, 2023
8EQF
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BU of 8eqf by Molmil
cryoEM structure of a broadly neutralizing anti-SARS-CoV-2 antibody STI-9167
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Bajic, G.
Deposit date:2022-10-07
Release date:2023-10-11
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:An in vitro experimental pipeline to characterize the epitope of a SARS-CoV-2 neutralizing antibody.
Mbio, 15, 2024
5TRF
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BU of 5trf by Molmil
MDM2 in complex with SAR405838
Descriptor: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2016-10-26
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
6N05
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BU of 6n05 by Molmil
Structure of anti-crispr protein, AcrIIC2
Descriptor: AcrIIC2
Authors:Shah, M, Thavalingham, A, Maxwell, K.L, Moraes, T.F.
Deposit date:2018-11-06
Release date:2019-06-05
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
7U8L
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BU of 7u8l by Molmil
Crystal structure of chimeric hemagglutinin cH15/3 in complex with broad protective antibody 31.a.83
Descriptor: Antibody Fab light chain, Hemagglutinin HA1 subunit, Hemagglutinin HA2 subunit, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2022-03-08
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.56 Å)
Cite:Influenza chimeric hemagglutinin structures in complex with broadly protective antibodies to the stem and trimer interface.
Proc.Natl.Acad.Sci.USA, 119, 2022
7U8M
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BU of 7u8m by Molmil
Crystal structure of chimeric hemagglutinin cH15/3 in complex with broad protective antibodies 31.a.83 and FluA-20
Descriptor: Antibody 31.a.83 Fab light chain, antibody 31.a.83 Fab heavy chain, antibody FluA-20 Fab heavy chain, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2022-03-08
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (5.39 Å)
Cite:Influenza chimeric hemagglutinin structures in complex with broadly protective antibodies to the stem and trimer interface.
Proc.Natl.Acad.Sci.USA, 119, 2022
7U8J
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BU of 7u8j by Molmil
Crystal structure of chimeric hemagglutinin cH4/3 in complex with broad protective antibody 31.a.83
Descriptor: Antibody Fab light chain, Hemagglutinin HA1 subunit, Hemagglutinin HA2 subunit, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2022-03-08
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.9 Å)
Cite:Influenza chimeric hemagglutinin structures in complex with broadly protective antibodies to the stem and trimer interface.
Proc.Natl.Acad.Sci.USA, 119, 2022
1A11
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BU of 1a11 by Molmil
NMR STRUCTURE OF MEMBRANE SPANNING SEGMENT 2 OF THE ACETYLCHOLINE RECEPTOR IN DPC MICELLES, 10 STRUCTURES
Descriptor: ACETYLCHOLINE RECEPTOR M2
Authors:Gesell, J.J, Sun, W, Montal, M, Opella, S.J.
Deposit date:1997-12-19
Release date:1998-04-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structures of the M2 channel-lining segments from nicotinic acetylcholine and NMDA receptors by NMR spectroscopy.
Nat.Struct.Biol., 6, 1999
3UDC
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BU of 3udc by Molmil
Crystal structure of a membrane protein
Descriptor: Small-conductance mechanosensitive channel, C-terminal peptide from Small-conductance mechanosensitive channel
Authors:Li, W, Ge, J, Yang, M.
Deposit date:2011-10-28
Release date:2012-10-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.355 Å)
Cite:Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012
3T9N
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BU of 3t9n by Molmil
Crystal structure of a membrane protein
Descriptor: DODECYL-BETA-D-MALTOSIDE, Small-conductance mechanosensitive channel
Authors:Yang, M, Zhang, X, Ge, J, Wang, J.
Deposit date:2011-08-03
Release date:2012-10-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.456 Å)
Cite:Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012
3NCA
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BU of 3nca by Molmil
X-ray structure of ketohexokinase in complex with a thieno pyridinol compound
Descriptor: Ketohexokinase, SULFATE ION, thieno[3,2-b]pyridin-7-ol
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
7EOD
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BU of 7eod by Molmil
MITF HLHLZ Delta AKE
Descriptor: GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor
Authors:Li, P, Liu, Z, Fang, P, Wang, J.
Deposit date:2021-04-22
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
3O0I
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BU of 3o0i by Molmil
Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor PU-H54
Descriptor: 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine, HSP90AA1 protein
Authors:Seidler, P.M, Gewirth, D.T.
Deposit date:2010-07-19
Release date:2011-10-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Paralog-selective Hsp90 inhibitors define tumor-specific regulation of HER2.
Nat.Chem.Biol., 9, 2013
3O2F
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BU of 3o2f by Molmil
Structure of the N-domain of GRP94 bound to the HSP90 inhibitor PU-H54
Descriptor: 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine, Endoplasmin, GLYCEROL, ...
Authors:Seidler, P.M, Gewirth, D.T.
Deposit date:2010-07-22
Release date:2011-10-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Paralog-selective Hsp90 inhibitors define tumor-specific regulation of HER2.
Nat.Chem.Biol., 9, 2013
3RO4
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BU of 3ro4 by Molmil
X-ray Structure of Ketohexokinase in complex with an indazole compound derivative
Descriptor: 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole, Ketohexokinase, SULFATE ION
Authors:Abad, M.C, Gibbs, A.C.
Deposit date:2011-04-25
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3KMP
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BU of 3kmp by Molmil
Crystal Structure of SMAD1-MH1/DNA complex
Descriptor: 5'-D(P*AP*TP*CP*AP*GP*TP*CP*TP*AP*GP*AP*CP*AP*TP*A)-3', 5'-D(P*GP*TP*AP*TP*GP*TP*CP*TP*AP*GP*AP*CP*TP*GP*A)-3', GLYCEROL, ...
Authors:Baburajendran, N, Palasingam, P, Narasimhan, K, Jauch, R, Kolatkar, P.R.
Deposit date:2009-11-11
Release date:2010-02-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of Smad1 MH1/DNA complex reveals distinctive rearrangements of BMP and TGF-beta effectors.
Nucleic Acids Res., 38, 2010
3NBW
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BU of 3nbw by Molmil
X-ray structure of ketohexokinase in complex with a pyrazole compound
Descriptor: 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile, GLYCEROL, Ketohexokinase, ...
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC2
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BU of 3nc2 by Molmil
X-ray structure of ketohexokinase with a quinazoline
Descriptor: Ketohexokinase, SULFATE ION, quinazoline
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC9
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BU of 3nc9 by Molmil
X-ray structure of ketohexokinase complexed with an indazole compound
Descriptor: Ketohexokinase, N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide, SULFATE ION
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NBV
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BU of 3nbv by Molmil
X-ray Structure of Ketohexokinase in complex with AMP-PNP and fructose
Descriptor: Ketohexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Abad, M.C, Gibbs, A.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010

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數據於2024-07-24公開中

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