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5ZGW
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BU of 5zgw by Molmil
Crystal structure of NDM-1 at pH7.5 with 1 molecule per asymmetric unit (crystallized at succinate pH5.5 and soaked at succinate pH7.5)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, HYDROXIDE ION, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGT
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BU of 5zgt by Molmil
Crystal structure of NDM-1 at pH7.5 (HEPES) with 2 molecules per asymmetric unit
分子名称: GLYCEROL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGY
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BU of 5zgy by Molmil
Crystal structure of NDM-1 at pH7.5 (Bis-Tris) with 1 molecule per asymmetric unit
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZH1
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BU of 5zh1 by Molmil
Crystal structure of NDM-1 at pH7.5 (Imidazole) with 2 molecules per asymmetric unit
分子名称: HYDROXIDE ION, IMIDAZOLE, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGQ
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BU of 5zgq by Molmil
Crystal structure of NDM-1 at pH7.5 (Tris-HCl, (NH4)2SO4) in complex with hydrolyzed ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGZ
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BU of 5zgz by Molmil
Crystal structure of NDM-1 at pH7.5 (Imidazole) with 1 molecule per asymmetric unit
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGP
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BU of 5zgp by Molmil
Crystal structure of NDM-1 at pH6.2 (Bis-Tris) in complex with hydrolyzed ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGE
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BU of 5zge by Molmil
Crystal structure of NDM-1 at pH5.5 (Bis-Tris) in complex with hydrolyzed ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-08
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGR
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BU of 5zgr by Molmil
Crystal structure of NDM-1 at pH7.3 (HEPES) in complex with hydrolyzed ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGV
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BU of 5zgv by Molmil
Crystal structure of NDM-1 at pH8.0 (Tris) with 2 molecules per asymmetric unit
分子名称: GLYCEROL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGF
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BU of 5zgf by Molmil
Crystal structure of NDM-1 Q123G mutant
分子名称: HYDROXIDE ION, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-08
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGI
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BU of 5zgi by Molmil
Crystal structure of NDM-1 at pH6.5 (Succinate) with 1 molecule per asymmetric unit
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-09
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGX
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BU of 5zgx by Molmil
Crystal structure of NDM-1 at pH7.5 (Succinate) with 1 molecule per asymmetric unit
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
7RWG
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BU of 7rwg by Molmil
"Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192
分子名称: (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RWH
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BU of 7rwh by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998
分子名称: 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RW7
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BU of 7rw7 by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9
分子名称: (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RW5
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BU of 7rw5 by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1
分子名称: (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
6F3K
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BU of 6f3k by Molmil
Combined solid-state NMR, solution-state NMR and EM data for structure determination of the tetrahedral aminopeptidase TET2 from P. horikoshii
分子名称: Tetrahedral aminopeptidase, ZINC ION
著者Gauto, D.F, Estrozi, L.F, Schwieters, C.D, Effantin, G, Macek, P, Sounier, R, Kerfah, R, Sivertsen, A.C, Colletier, J.P, Boisbouvier, J, Schoehn, G, Favier, A, Schanda, P.
登録日2017-11-28
公開日2018-03-14
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4.1 Å), SOLID-STATE NMR, SOLUTION NMR
主引用文献Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex.
Nat Commun, 10, 2019
6R8N
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BU of 6r8n by Molmil
STRUCTURE DETERMINATION OF THE TETRAHEDRAL AMINOPEPTIDASE TET2 FROM P. HORIKOSHII BY USE OF COMBINED SOLID-STATE NMR, SOLUTION-STATE NMR AND EM DATA 4.1 A, FOLLOWED BY REAL_SPACE_REFINEMENT AT 4.1 A
分子名称: Tetrahedral aminopeptidase, ZINC ION
著者Colletier, J.-P, Gauto, D, Estrozi, L, Favier, A, Effantin, G, Schoehn, G, Boisbouvier, J, Schanda, P.
登録日2019-04-02
公開日2019-08-14
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4.1 Å), SOLUTION NMR
主引用文献Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex.
Nat Commun, 10, 2019
5EU0
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BU of 5eu0 by Molmil
FIC domain of Bep1 from Bartonella rochalimae in complex with BiaA
分子名称: Bartonella effector protein (Bep) substrate of VirB T4SS, SULFATE ION, antitoxin 1
著者Goepfert, A.
登録日2015-11-18
公開日2017-03-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for Rho-family GTPase discrimination by a bacterial virulence factor
to be published
6S7V
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BU of 6s7v by Molmil
Lipoteichoic acids flippase LtaA
分子名称: MFS transporter
著者Zhang, B, Perez, C.
登録日2019-07-06
公開日2020-04-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献Structure of a proton-dependent lipid transporter involved in lipoteichoic acids biosynthesis.
Nat.Struct.Mol.Biol., 27, 2020
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