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8D20
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BU of 8d20 by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with 5'-Methylthioadenosine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chaperone DnaK, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D22
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BU of 8d22 by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with Piclidenoson
Descriptor: Chaperone DnaK, Piclidenoson, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
Deposit date:2021-07-06
Release date:2022-07-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.151 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
5EVZ
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BU of 5evz by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ADP and inorganic phosphate
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-20
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EXW
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BU of 5exw by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ATP
Descriptor: 7-deazaadenosine-5'-triphosphate, 78 kDa glucose-regulated protein
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-24
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5F2R
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BU of 5f2r by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with AMP-PCP
Descriptor: 78 kDa glucose-regulated protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-12-02
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5F1X
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BU of 5f1x by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ATP
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-30
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EY4
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BU of 5ey4 by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 78 kDa glucose-regulated protein
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-24
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EX5
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BU of 5ex5 by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ADP and inorganic phosphate
Descriptor: 7-deazaadenosine-5'-diphosphate, 78 kDa glucose-regulated protein, MAGNESIUM ION, ...
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5F0X
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BU of 5f0x by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ADP and inorganic phosphate
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 78 kDa glucose-regulated protein, ...
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-28
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5NO6
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BU of 5no6 by Molmil
TEAD4-HOXB13 complex bound to DNA
Descriptor: DNA, Homeobox protein Hox-B13, Transcriptional enhancer factor TEF-3
Authors:Morgunova, E, Jolma, A, Yin, Y, Popov, A, Taipale, J.
Deposit date:2017-04-11
Release date:2018-05-16
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:DNA-guided transcription factor interactions extend human gene regulatory code.
Nature, 2025
7F3M
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BU of 7f3m by Molmil
Crystal structure of FGFR4 kinase domain with PRN1371
Descriptor: 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one, Fibroblast growth factor receptor 4, SULFATE ION
Authors:Chen, X.J, Qu, L.Z, Dai, S.Y, Wei, H.D, Chen, Y.H.
Deposit date:2021-06-16
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
3DPK
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BU of 3dpk by Molmil
cFMS tyrosine kinase in complex with a pyridopyrimidinone inhibitor
Descriptor: 8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, Macrophage colony-stimulating factor 1 receptor, Fibroblast growth factor receptor 1, ...
Authors:Schubert, C.
Deposit date:2008-07-08
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyrido[2,3-d]pyrimidin-5-ones: a novel class of antiinflammatory macrophage colony-stimulating factor-1 receptor inhibitors
J.Med.Chem., 52, 2009
4ZXM
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BU of 4zxm by Molmil
Crystal structure of PGRP domain from Branchiostoma belcheri tsingtauense peptidoglycan recognition protein 3
Descriptor: PGRP domain of peptidoglycan recognition protein 3
Authors:Wang, W.J, Cheng, W, Jiang, Y.L, Yu, H.M, Luo, M.
Deposit date:2015-05-20
Release date:2015-10-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activity Augmentation of Amphioxus Peptidoglycan Recognition Protein BbtPGRP3 via Fusion with a Chitin Binding Domain
Plos One, 10, 2015
8H08
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BU of 8h08 by Molmil
SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
Descriptor: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-09-28
Release date:2023-05-31
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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BU of 8h07 by Molmil
SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
Descriptor: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-09-28
Release date:2023-05-31
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8I3S
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BU of 8i3s by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ...
Authors:Li, Z, Yu, F, Cao, S, ZHao, H.
Deposit date:2023-01-17
Release date:2023-10-04
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
8I3U
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BU of 8i3u by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ...
Authors:Li, Z, Yu, F, Cao, S.
Deposit date:2023-01-18
Release date:2023-10-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
6KZ5
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BU of 6kz5 by Molmil
Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain
Descriptor: Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
Authors:Hong, W, Chen, H, Wu, Q, Lin, T.
Deposit date:2019-09-23
Release date:2020-10-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.45 Å)
Cite:Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
Descriptor: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
Authors:Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
Deposit date:2020-04-11
Release date:2021-02-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
7ESI
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BU of 7esi by Molmil
Crystal structure of the collagenase unit of a Vibrio collagenase from Vibrio harveyi VHJR7 at 1. 8 angstrom resolution.
Descriptor: CALCIUM ION, Collagenase unit (CU), Peptide P1, ...
Authors:Cao, H.Y, Wang, Y, Peng, M, Zhang, Y.Z.
Deposit date:2021-05-11
Release date:2022-02-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Vibrio collagenase VhaC provides insight into the mechanism of bacterial collagenolysis.
Nat Commun, 13, 2022
7F4N
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BU of 7f4n by Molmil
Crystal structure of SAH-bound MTA1-p1-p2 complex
Descriptor: MT-a70 family protein, S-ADENOSYL-L-HOMOCYSTEINE, Transmembrane protein, ...
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4R
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BU of 7f4r by Molmil
Crystal structure of MTA1
Descriptor: MT-a70 family protein
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4P
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BU of 7f4p by Molmil
Crystal structure of SAM-bound MTA1-p2 complex
Descriptor: MT-a70 family protein, S-ADENOSYLMETHIONINE, Transmembrane protein, ...
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4S
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BU of 7f4s by Molmil
Crystal structure of TthMTA1-PteMTA9 complex
Descriptor: MT-a70 family protein, MTA9
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022

238582

數據於2025-07-09公開中

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