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7JUP
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BU of 7jup by Molmil
Structure of human TRPA1 in complex with antagonist compound 21
分子名称: 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L.
登録日2020-08-20
公開日2021-03-31
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy.
J.Med.Chem., 64, 2021
5AGO
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BU of 5ago by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid
分子名称: (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-02-02
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGP
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BU of 5agp by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid
分子名称: (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-02-02
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
3TY0
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BU of 3ty0 by Molmil
Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione
分子名称: (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W.
登録日2011-09-23
公開日2011-11-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
7FDK
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BU of 7fdk by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to mACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDH
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BU of 7fdh by Molmil
SARS-COV-2 Spike RBDMACSp25 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDI
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BU of 7fdi by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
2M3C
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BU of 2m3c by Molmil
Solution Structure of gammaM7-Crystallin
分子名称: Crystallin, gamma M7
著者Mahler, B, Wu, Z.
登録日2013-01-16
公開日2013-08-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and Dynamics of the Fish Eye Lens Protein, gamma M7-Crystallin.
Biochemistry, 52, 2013
2OEH
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BU of 2oeh by Molmil
Determination of the Three-dimensional Structure of the Mrf2-DNA Complex Using Paramagnetic Spin Labeling
分子名称: 5'-D(P*CP*GP*AP*CP*GP*TP*TP*AP*TP*AP*TP*TP*GP*T)-3', 5'-D(P*TP*AP*CP*AP*AP*TP*AP*TP*AP*AP*CP*GP*TP*CP*G)-3', AT-rich interactive domain-containing protein 5B
著者Cai, S, Zhu, L, Zhang, Z.
登録日2006-12-29
公開日2007-08-07
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Determination of the three-dimensional structure of the Mrf2-DNA complex using paramagnetic spin labeling.
Biochemistry, 46, 2007
5IZ8
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BU of 5iz8 by Molmil
Protein-protein interaction
分子名称: ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein, TRIETHYLENE GLYCOL
著者Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
登録日2016-03-25
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5GPK
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BU of 5gpk by Molmil
Crystal structure of Ccp1 mutant
分子名称: Putative nucleosome assembly protein C36B7.08c
著者Yin, F, Gao, F, Chen, Y.
登録日2016-08-03
公開日2016-11-30
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
5H3R
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BU of 5h3r by Molmil
Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA
分子名称: DNA (5'-D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*TP*AP*TP*TP*GP*CP*CP*CP*AP*GP*GP*CP*AP*AP*GP*TP*AP*T)-3'), Multiple antibiotic resistance protein MarR
著者Zhu, R, Lou, H, Hao, Z.
登録日2016-10-26
公開日2017-08-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural characterization of the DNA-binding mechanism underlying the copper(II)-sensing MarR transcriptional regulator.
J. Biol. Inorg. Chem., 22, 2017
3BWN
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BU of 3bwn by Molmil
L-tryptophan aminotransferase
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, L-tryptophan aminotransferase, PHENYLALANINE, ...
著者Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y.
登録日2008-01-10
公開日2008-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for shade avoidance in plants
Cell(Cambridge,Mass.), 133, 2008
7F3M
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BU of 7f3m by Molmil
Crystal structure of FGFR4 kinase domain with PRN1371
分子名称: 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
著者Chen, X.J, Qu, L.Z, Dai, S.Y, Wei, H.D, Chen, Y.H.
登録日2021-06-16
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
5GPL
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BU of 5gpl by Molmil
Crystal structure of Ccp1
分子名称: Putative nucleosome assembly protein C36B7.08c
著者Yin, F, Gao, F, Chen, Y.
登録日2016-08-03
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
6DUN
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BU of 6dun by Molmil
Crystal Structure Analysis of PIN1
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, TRIHYDROXYARSENITE(III)
著者Seo, H.-S, Dhe-Paganon, S.
登録日2018-06-21
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Arsenic targets Pin1 and cooperates with retinoic acid to inhibit cancer-driving pathways and tumor-initiating cells.
Nat Commun, 9, 2018
8G2O
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BU of 8g2o by Molmil
Fab structure - Anti-ApoE-7C11 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, anti-ApoE-7C11 heavy chain, anti-ApoE-7C11 light chain
著者Marino, C, Arboleda-Velasquez, J.F.
登録日2023-02-06
公開日2023-10-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献APOE Christchurch-mimetic therapeutic antibody reduces APOE-mediated toxicity and tau phosphorylation.
Alzheimers Dement, 20, 2024
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
分子名称: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-04-13
公開日2018-05-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
1VBS
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BU of 1vbs by Molmil
STRUCTURE OF CYCLOPHILIN COMPLEXED WITH (D)ALA CONTAINING TETRAPEPTIDE
分子名称: CYCLOPHILIN A, TETRAPEPTIDE
著者Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H.
登録日1998-06-16
公開日1999-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping the stereospecificity of peptidyl prolyl cis/trans isomerases.
FEBS Lett., 432, 1998
5GO3
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BU of 5go3 by Molmil
Crystal structure of a di-nucleotide cyclase Vibrio mutant
分子名称: Cyclic GMP-AMP synthase
著者Ming, Z.H, Wang, W, Xie, Y.C, Chen, Y.C, Yan, L.M, Lou, Z.Y.
登録日2016-07-26
公開日2016-11-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a di-nucleotide cyclase Vibrio mutant
To Be Published
7SWO
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BU of 7swo by Molmil
C98C7 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction)
分子名称: C98C7 Fab heavy chain, C98C7 Fab light chain, Spike protein S1
著者Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C.
登録日2021-11-20
公開日2022-04-27
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1.
Sci Immunol, 7, 2022
7SWP
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BU of 7swp by Molmil
G32Q4 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction)
分子名称: G32Q4 Fab heavy chain, G32Q4 Fab light chain, Spike protein S1
著者Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C.
登録日2021-11-20
公開日2022-04-27
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1.
Sci Immunol, 7, 2022
7SWN
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BU of 7swn by Molmil
G32A4 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction)
分子名称: G32A4 Fab heavy chain, G32A4 Fab light chain, Spike protein S1
著者Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C.
登録日2021-11-20
公開日2022-04-27
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1.
Sci Immunol, 7, 2022
6FZB
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AadA in complex with ATP, magnesium and streptomycin
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kanchugal P, S, Selmer, M.
登録日2018-03-14
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J. Biol. Chem., 293, 2018

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