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6M4V
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BU of 6m4v by Molmil
Crystal structure of MBP fused split FKBP in complex with rapamycin
分子名称: GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ...
著者Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
登録日2020-03-09
公開日2020-08-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
8CR1
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BU of 8cr1 by Molmil
Homo sapiens Get1/Get2 heterotetramer in complex with a Get3 dimer
分子名称: ATPase ASNA1, Guided entry of tail-anchored proteins factor CAMLG,Guided entry of tail-anchored proteins factor 1,GET2-GET1, ZINC ION
著者McDowell, M.A, Heimes, M, Wild, K, Sinning, I.
登録日2023-03-07
公開日2023-11-29
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The GET insertase exhibits conformational plasticity and induces membrane thinning.
Nat Commun, 14, 2023
6I99
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BU of 6i99 by Molmil
Bone Marrow Tyrosine Kinase in Chromosome X in complex with a newly designed covalent inhibitor JS24
分子名称: Cytoplasmic tyrosine-protein kinase BMX, ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
著者Sousa, B.B, Matias, P.M, Marques, M.C, Seixas, J.D, Bernardes, G.J.L.
登録日2018-11-22
公開日2020-05-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural and biophysical insights into the mode of covalent binding of rationally designed potent BMX inhibitors
Chem.Biol., 2020
7YKT
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BU of 7ykt by Molmil
Cryo-EM structure of Drg1 hexamer in helical state treated with ADP/AMPPNP/benzo-diazaborine
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein
著者Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
登録日2022-07-23
公開日2022-12-14
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
7YKL
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BU of 7ykl by Molmil
Cryo-EM structure of Drg1 hexamer treated with AMPPNP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein
著者Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
登録日2022-07-22
公開日2022-12-14
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
7YKK
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BU of 7ykk by Molmil
Cryo-EM structure of Drg1 hexamer treated with ADP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein
著者Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
登録日2022-07-22
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
7YKZ
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BU of 7ykz by Molmil
Cryo-EM structure of Drg1 hexamer in the planar state treated with ADP/AMPPNP/Diazaborine
分子名称: 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
登録日2022-07-25
公開日2022-12-14
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
8EPL
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BU of 8epl by Molmil
Human R-type voltage-gated calcium channel Cav2.3 at 3.1 Angstrom resolution
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-10-06
公開日2022-12-14
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of the R-type human Ca v 2.3 channel reveal conformational crosstalk of the intracellular segments.
Nat Commun, 13, 2022
8EPM
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BU of 8epm by Molmil
Human R-type voltage-gated calcium channel Cav2.3 CH2II-deleted mutant at 3.1 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-10-06
公開日2022-12-14
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of the R-type human Ca v 2.3 channel reveal conformational crosstalk of the intracellular segments.
Nat Commun, 13, 2022
2EW5
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BU of 2ew5 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
分子名称: 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE, COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
2EW7
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BU of 2ew7 by Molmil
Crystal Structure of Helicobacter Pylori peptide deformylase
分子名称: COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
2EW6
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BU of 2ew6 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
分子名称: (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
7WMJ
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BU of 7wmj by Molmil
A novel chemical derivative(71) of THRB agonist
分子名称: 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMO
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BU of 7wmo by Molmil
A novel chemical derivative(92) of THRB agonist
分子名称: 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-15
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMH
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BU of 7wmh by Molmil
A novel chemical derivative(56) of THRB agonist
分子名称: 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMG
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BU of 7wmg by Molmil
A novel chemical derivative(52) of THRB agonist
分子名称: 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMN
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BU of 7wmn by Molmil
A novel chemical derivative(89) of THRB agonist
分子名称: 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-15
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WML
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BU of 7wml by Molmil
A novel chemical derivative(85) of THRB agonist
分子名称: 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-15
公開日2022-05-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WLX
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BU of 7wlx by Molmil
A novel chemical derivative(53) of THRB agonist
分子名称: 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
著者Yao, B.Q, Li, Y.
登録日2022-01-14
公開日2022-05-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
8RGF
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BU of 8rgf by Molmil
Arginase 2 in complex with inhibitor
分子名称: 4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide, Arginase-2, mitochondrial, ...
著者Petersen, J.
登録日2023-12-13
公開日2024-12-04
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery of (2 R ,4 R )-4-(( S )-2-Amino-3-methylbutanamido)-2-(4-boronobutyl)pyrrolidine-2-carboxylic Acid (AZD0011), an Actively Transported Prodrug of a Potent Arginase Inhibitor to Treat Cancer.
J.Med.Chem., 67, 2024
8RGU
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BU of 8rgu by Molmil
Arginase 2 in complex with inhibitor
分子名称: Arginase-2, mitochondrial, DIMETHYL SULFOXIDE, ...
著者Petersen, J.
登録日2023-12-14
公開日2024-12-04
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of (2 R ,4 R )-4-(( S )-2-Amino-3-methylbutanamido)-2-(4-boronobutyl)pyrrolidine-2-carboxylic Acid (AZD0011), an Actively Transported Prodrug of a Potent Arginase Inhibitor to Treat Cancer.
J.Med.Chem., 67, 2024
8RG6
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BU of 8rg6 by Molmil
Arginase 2 in complex with inhibitor
分子名称: (2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid, Arginase-2, mitochondrial, ...
著者Petersen, J.
登録日2023-12-13
公開日2024-12-04
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of (2 R ,4 R )-4-(( S )-2-Amino-3-methylbutanamido)-2-(4-boronobutyl)pyrrolidine-2-carboxylic Acid (AZD0011), an Actively Transported Prodrug of a Potent Arginase Inhibitor to Treat Cancer.
J.Med.Chem., 67, 2024
5OI9
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BU of 5oi9 by Molmil
Trichoplax adhaerens STIL N-terminal domain
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative uncharacterized protein
著者van Breugel, M.
登録日2017-07-18
公開日2018-04-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Direct binding of CEP85 to STIL ensures robust PLK4 activation and efficient centriole assembly.
Nat Commun, 9, 2018
8XTX
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BU of 8xtx by Molmil
structure of a protein
分子名称: Green fluorescent protein,Vesicular acetylcholine transporter,antibody
著者Zhao, Y, Ma, Q, Dong, Y, Meng, Y.
登録日2024-01-12
公開日2024-12-25
最終更新日2025-06-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Binding mechanism and antagonism of the vesicular acetylcholine transporter VAChT.
Nat.Struct.Mol.Biol., 32, 2025
5OI7
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Human CEP85 - coiled coil domain 4
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Centrosomal protein of 85 kDa
著者van Breugel, M.
登録日2017-07-18
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Direct binding of CEP85 to STIL ensures robust PLK4 activation and efficient centriole assembly.
Nat Commun, 9, 2018

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