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5JBS
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BU of 5jbs by Molmil
Conformational changes during monomer-to-dimer transition of Brucella suis VirB8
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Arya, T, Sharifahmadian, M, Sygusch, J, Baron, B.
登録日2016-04-13
公開日2017-03-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献NMR analyses, X-ray crystallography and small-molecule probing reveal conformational shifts during monomer-to-dimer transition of Brucella suis VirB8
To Be Published
4U73
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BU of 4u73 by Molmil
HsMetAP(F309M) IN COMPLEX WITH (amino(phenyl)methyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6C
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BU of 4u6c by Molmil
HsMetAP in complex with [(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-28
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U75
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BU of 4u75 by Molmil
HsMetAP (F309M) in complex with Methionine
分子名称: COBALT (II) ION, GLYCEROL, METHIONINE, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6W
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BU of 4u6w by Molmil
HsMetAP (F220M) in complex with 1-amino-2-propylpentyl]phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U71
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BU of 4u71 by Molmil
HsMetAP(F309M) IN COMPLEX WITH 1- amino(cyclohexyl)methy)phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U69
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BU of 4u69 by Molmil
HsMetAP complex with (1-amino-2-methylpentyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-28
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U70
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BU of 4u70 by Molmil
HsMetAP (F309M) in complex with (1-amino-2-cyclohexylethyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U76
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BU of 4u76 by Molmil
HsMetAP (F309M) holo form
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6E
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BU of 4u6e by Molmil
HsMetAP in complex with (amino(phenyl)methyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, [(R)-amino(phenyl)methyl]phosphonic acid
著者Arya, T, Addlagatta, A.
登録日2014-07-28
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U1B
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BU of 4u1b by Molmil
HsMetAP in complex with (1-amino-2-propylpentyl)phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-15
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6J
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BU of 4u6j by Molmil
HsMetAP in complex with methionine
分子名称: COBALT (II) ION, GLYCEROL, METHIONINE, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-29
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U6Z
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BU of 4u6z by Molmil
HsMetAP(F309M) in complex with 1-amino-2-propylpentyl)phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-04-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4KM3
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BU of 4km3 by Molmil
Discovery of a novel structural motif in methionine aminopeptidase from Streptococci with possible post-translational modification
分子名称: Methionine aminopeptidase
著者Arya, T, Addlagatta, A.
登録日2013-05-08
公開日2014-01-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of a new genetic variant of methionine aminopeptidase from streptococci with possible post-translational modifications: biochemical and structural characterization.
Plos One, 8, 2013
6BGE
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BU of 6bge by Molmil
HELICOBACTER PYLORI ATPASE, HP0525, IN COMPLEX WITH 1G2 COMPOUND
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(pyridin-2-yl)oxy]benzoic acid, GLYCEROL, ...
著者Arya, T, Casu, B, Baron, C.
登録日2017-10-27
公開日2018-10-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CagAlpha in complex with hexamer inhibitor
To Be Published
5YKP
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BU of 5ykp by Molmil
Human methionine aminopeptidase type 1b (F309M mutant) in complex with ovalicin
分子名称: 3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE, COBALT (II) ION, Methionine aminopeptidase 1, ...
著者Arya, T, Pillalamarri, V, Addlagatta, A.
登録日2017-10-15
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis.
Biochem. J., 476, 2019
5YR4
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BU of 5yr4 by Molmil
Human methionine aminopeptidase type 1b (F309M mutant) in complex with TNP470
分子名称: (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate, COBALT (II) ION, GLYCEROL, ...
著者Arya, T, Pillalamarri, V, Addlagatta, A.
登録日2017-11-08
公開日2018-11-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis.
Biochem. J., 476, 2019
7LMI
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BU of 7lmi by Molmil
SARS-CoV-1 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
分子名称: 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL
著者Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R.
登録日2021-02-05
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
7LMG
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BU of 7lmg by Molmil
SARS-CoV-1 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
分子名称: 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ...
著者Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R.
登録日2021-02-05
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
7LMH
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BU of 7lmh by Molmil
SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-(pyridin-3-yl)phenyl)-N-(thiophen-3-ylmethyl)acetamide
分子名称: 2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL
著者Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R.
登録日2021-02-05
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
7LMJ
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BU of 7lmj by Molmil
SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-(4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl)acetamide
分子名称: 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ...
著者Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R.
登録日2021-02-05
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.686 Å)
主引用文献Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
5WII
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BU of 5wii by Molmil
TraE protein in complex with 2-Chloroisonicotinic Acid
分子名称: 2-chloropyridine-4-carboxylic acid, Conjugal transfer protein
著者Casu, B, Arya, T, Bessette, B, Baron, C.
登録日2017-07-19
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
5WIO
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BU of 5wio by Molmil
TraE protein in complex with 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid
分子名称: 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid, Conjugal transfer protein
著者Casu, B, Arya, T, Bessette, B, Baron, C.
登録日2017-07-19
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
5WIP
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BU of 5wip by Molmil
TraE protein in complex with 2-(2-furyl)isonicotinic acid
分子名称: 2-(furan-2-yl)pyridine-4-carboxylic acid, Conjugal transfer protein
著者Casu, B, Arya, T, Bessette, B, Baron, C.
登録日2017-07-19
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017
5WIC
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BU of 5wic by Molmil
TraE protein in complex with 2-Furoic Acid (FOA)
分子名称: 2-FUROIC ACID, Conjugal transfer protein
著者Casu, B, Arya, T, Bessette, B, Baron, C.
登録日2017-07-19
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.
Sci Rep, 7, 2017

 

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