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6GNI
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BU of 6gni by Molmil
Cryo-tomography and subtomogram averaging of Sar1-Sec23-Sec24 - fitted model.
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein transport protein SEC23, ...
著者Hutchings, J, Zanetti, G.
登録日2018-05-30
公開日2018-10-17
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Subtomogram averaging of COPII assemblies reveals how coat organization dictates membrane shape.
Nat Commun, 9, 2018
8I52
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BU of 8i52 by Molmil
Crystal structure of VIM-2 metallo-beta-lactamase in complex with 10-HHIA
分子名称: (2~{S})-2-butyl-3-methylidene-butanedioic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Wachino, J.
登録日2023-01-23
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of VIM-2 Metallo-beta-lactamase in complex with 10-HHIA
To Be Published
5AXO
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BU of 5axo by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem
分子名称: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Metallo-beta-lactamase, ...
著者Wachino, J, Arakawa, Y.
登録日2015-07-31
公開日2016-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem
To Be Published
5AXR
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BU of 5axr by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to 2-mercaptoethanesulfonate
分子名称: 1-THIOETHANESULFONIC ACID, Metallo-beta-lactamase, SODIUM ION, ...
著者Wachino, J, Arakawa, Y.
登録日2015-07-31
公開日2016-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to 2-mercaptoethanesulfonate
To Be Published
5AYA
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BU of 5aya by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to L-captopril
分子名称: L-CAPTOPRIL, Metallo-beta-lactamase, SODIUM ION, ...
著者Wachino, J, Arakawa, Y.
登録日2015-08-12
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to L-captopril
To Be Published
5B1U
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BU of 5b1u by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Metallo-beta-lactamase, SODIUM ION, ...
著者Wachino, J, Arakawa, Y.
登録日2015-12-20
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem
To be published
5B15
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BU of 5b15 by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem
分子名称: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase, SODIUM ION, ...
著者Wachino, J, Arakawa, Y.
登録日2015-11-23
公開日2016-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem
To Be Published
3VQZ
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BU of 3vqz by Molmil
Crystal structure of metallo-beta-lactamase, SMB-1, in a complex with mercaptoacetic acid
分子名称: Metallo-beta-lactamase, SODIUM ION, SULFANYLACETIC ACID, ...
著者Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K.
登録日2012-04-02
公開日2013-02-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate
Antimicrob.Agents Chemother., 57, 2013
3VPE
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BU of 3vpe by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1
分子名称: ACETATE ION, GLYCEROL, Metallo-beta-lactamase, ...
著者Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K.
登録日2012-02-29
公開日2013-02-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate
Antimicrob.Agents Chemother., 57, 2013
6JED
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BU of 6jed by Molmil
Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFANYLACETIC ACID, ...
著者Wachino, J.
登録日2019-02-05
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
6K4T
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BU of 6k4t by Molmil
Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-sulfanylbenzoic acid, Metallo-beta-lactamase, ...
著者Wachino, J.
登録日2019-05-27
公開日2019-08-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
6K4X
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BU of 6k4x by Molmil
Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-azanyl-2-sulfanyl-benzoic acid, Metallo-beta-lactamase, ...
著者Wachino, J.
登録日2019-05-27
公開日2019-08-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
5YD7
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BU of 5yd7 by Molmil
Crystal Structure OF VIM-2 Metallo-beta-lactamase
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION
著者Wachino, J.
登録日2017-09-11
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure Of VIM-2 Metallo-beta-lactamase
To Be Published
5Y5B
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BU of 5y5b by Molmil
Crystal Structure Of IMP-1 Metallo-beta-lactamase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFATE ION, ...
著者Wachino, J.
登録日2017-08-08
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
5ZR8
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BU of 5zr8 by Molmil
Crystal Structure Of NDM-1 Metallo-beta-lactamase
分子名称: Beta-lactamase, SULFATE ION, ZINC ION
著者Wachino, J.
登録日2018-04-23
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure Of NDM-1 Metallo-beta-lactamase
To Be Published
6ZGA
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BU of 6zga by Molmil
COPII on membranes, inner coat
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PRO-PRO-PRO, ...
著者Zanetti, G, Hutchings, J, Cheung, A.C.M.
登録日2020-06-18
公開日2021-02-17
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network.
Nat Commun, 12, 2021
6ZG6
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BU of 6zg6 by Molmil
COPII on membranes, outer coat vertex
分子名称: Protein transport protein SEC13, Protein transport protein SEC31
著者Zanetti, G, Hutchings, J.
登録日2020-06-18
公開日2021-02-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network.
Nat Commun, 12, 2021
6ZG5
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BU of 6zg5 by Molmil
COPII on membranes, outer coat right-handed rod, class1
分子名称: Protein transport protein SEC13, Protein transport protein SEC31
著者Zanetti, G, Hutchings, J.
登録日2020-06-18
公開日2021-02-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (40 Å)
主引用文献Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network.
Nat Commun, 12, 2021
6ZL0
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BU of 6zl0 by Molmil
COPII on membranes, outer coat left-handed rod
分子名称: Protein transport protein SEC13, Protein transport protein SEC31
著者Zanetti, G, Hutchings, J.
登録日2020-06-30
公開日2021-02-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (40 Å)
主引用文献Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network.
Nat Commun, 12, 2021
5GWA
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BU of 5gwa by Molmil
Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ...
著者Wachino, J, Jin, W, Arakawa, Y.
登録日2016-09-09
公開日2017-07-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
5GS8
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BU of 5gs8 by Molmil
Crystal structure of TLA-3 extended-spectrum beta-lactamase
分子名称: Beta-lactamase, CHLORIDE ION, SODIUM ION, ...
著者Wachino, J, Jin, W, Arakawa, Y.
登録日2016-08-14
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
5X5G
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BU of 5x5g by Molmil
Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with OP0595
分子名称: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, SODIUM ION, ...
著者Wachino, J, Jin, W, Arakawa, Y.
登録日2017-02-15
公開日2017-07-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
6KNR
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BU of 6knr by Molmil
Crystal structure of Estrogen-related receptor gamma ligand-binding domain with DN200699
分子名称: (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol, Estrogen-related receptor gamma
著者Yoon, H, Kim, J, Chin, J, Song, J, Cho, S.J.
登録日2019-08-07
公開日2020-08-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献An orally available inverse agonist of estrogen-related receptor gamma showed expanded efficacy for the radioiodine therapy of poorly differentiated thyroid cancer.
Eur.J.Med.Chem., 205, 2020
6A6K
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BU of 6a6k by Molmil
Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000
分子名称: 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma
著者Yoon, H, Kim, J, Chin, J, Cho, S.J, Song, J.
登録日2018-06-28
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Estrogen-Related Receptor-gamma Inverse Agonists To Restore the Sodium Iodide Symporter Function in Anaplastic Thyroid Cancer.
J. Med. Chem., 62, 2019
6ILQ
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BU of 6ilq by Molmil
Crystal structure of PPARgamma with compound BR101549
分子名称: Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate
著者Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H.
登録日2018-10-19
公開日2019-09-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.408 Å)
主引用文献Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR.
Bioorg.Med.Chem.Lett., 29, 2019

 

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