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6LK2
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BU of 6lk2 by Molmil
Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+, NAD and chlorogenic acid
分子名称: (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 3-dehydroquinate synthase, ...
著者Neetu, N, Katiki, M, Kumar, P.
登録日2019-12-17
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway.
J.Bacteriol., 202, 2020
6LLA
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BU of 6lla by Molmil
Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+ and NAD
分子名称: 1,2-ETHANEDIOL, 3-dehydroquinate synthase, DI(HYDROXYETHYL)ETHER, ...
著者Neetu, N, Katiki, M, Kumar, P.
登録日2019-12-22
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway.
J.Bacteriol., 202, 2020
8JFV
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BU of 8jfv by Molmil
Crystal structure of Catabolite repressor acivator from E. coli in complex with sulisobenzone
分子名称: 1,2-ETHANEDIOL, 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Neetu, N, Sharma, M, Mahto, J.K, Kumar, P.
登録日2023-05-19
公開日2024-04-24
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Sulisobenzone is a potent inhibitor of the global transcription factor Cra.
J.Struct.Biol., 215, 2023
8JFF
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BU of 8jff by Molmil
Crystal structure of Catabolite repressor acivator from E. coli in complex with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Catabolite repressor/activator
著者Neetu, N, Katiki, M, Kumar, P.
登録日2023-05-18
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Sulisobenzone is a potent inhibitor of the global transcription factor Cra.
J.Struct.Biol., 215, 2023
7DOB
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BU of 7dob by Molmil
Crystal structure of Catabolite repressor activator (Apo)
分子名称: 1,2-ETHANEDIOL, Catabolite repressor/activator, MAGNESIUM ION, ...
著者Neetu, N, Katiki, M, Kumar, P.
登録日2020-12-13
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Catabolite repressor activator (Apo)
To Be Published
7DOA
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BU of 7doa by Molmil
Crystal structure of Catabolite repressor acivator from E. coli in complex with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Catabolite repressor/activator, GLYCEROL
著者Neetu, N, Katiki, M, Kumar, P.
登録日2020-12-13
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Catabolite repressor acivator from E. coli in complex with HEPES
To Be Published
8ELB
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BU of 8elb by Molmil
CTX-M-14 beta-lactamase mutant- N132A
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER
著者Lu, S, Neetu, N, Palzkill, T.
登録日2022-09-23
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
7F44
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BU of 7f44 by Molmil
Crystal structure of Moraxella catarrhalis enoyl-ACP-reductase (FabI) in complex with the cofactor NAD
分子名称: CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
著者Katiki, M, Neetu, N, Pratap, S, Kumar, P.
登録日2021-06-17
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol.
Biochimie, 198, 2022
8DPQ
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BU of 8dpq by Molmil
Beta-lactamase CTX-M-14 N170A
分子名称: 1,2-ETHANEDIOL, Beta-lactamase
著者Lu, S, Neetu, N, Palzkill, T.
登録日2022-07-15
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8TL8
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BU of 8tl8 by Molmil
Structure of Orthoreovirus RNA Chaperone SigmaNS R6A mutant in complex with bile acid
分子名称: GLYCOCHOLIC ACID, Protein sigma-NS
著者Prasad, B.V.V, Zhao, B, Hu, L, Neetu, N.
登録日2023-07-26
公開日2024-03-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of orthoreovirus RNA chaperone sigma NS, a component of viral replication factories.
Nat Commun, 15, 2024
7FCM
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BU of 7fcm by Molmil
Crystal structure of Moraxella catarrhalis enoyl-ACP-reductase (FabI) in complex with NAD and Triclosan
分子名称: CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Katiki, M, Neetu, N, Pratap, S, Kumar, P.
登録日2021-07-15
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol.
Biochimie, 198, 2022
8TMT
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BU of 8tmt by Molmil
Crystal structure of KPC-44 carbapenemase in complex with vaborbactam
分子名称: 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ...
著者Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B.
登録日2023-07-30
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
7FC8
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BU of 7fc8 by Molmil
Crystal structure of the Apo enoyl-ACP-reductase (FabI) from Moraxella catarrhalis
分子名称: CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Katiki, M, Pratap, S, Kumar, P.
登録日2021-07-14
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.377 Å)
主引用文献Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol.
Biochimie, 198, 2022
8ELA
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BU of 8ela by Molmil
CTX-M-14 beta-lactamase mutant - N132A w MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, CHLORIDE ION, ...
著者Lu, S, Palzkill, T, Hu, L, Prasad, B.V.V.
登録日2022-09-23
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
7V25
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BU of 7v25 by Molmil
Crystal Structure of phthalate dioxygenase in complex with phthalate
分子名称: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, PHTHALIC ACID, ...
著者Mahto, J.K, Kumar, P.
登録日2021-08-07
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
7V28
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BU of 7v28 by Molmil
Crystal Structure of phthalate dioxygenase in complex with terephthalate
分子名称: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Rieske (2Fe-2S) domain protein, ...
著者Mahto, J.K, Kumar, P.
登録日2021-08-07
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
8DOD
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BU of 8dod by Molmil
Beta-lactamase CTX-M-14 S130A
分子名称: Beta-lactamase, POTASSIUM ION
著者Lu, S, Palzkill, T.
登録日2022-07-12
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8DOE
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BU of 8doe by Molmil
Crystal Structure of CTX-M-14 N106A
分子名称: Beta-lactamase
著者Lu, S, Palzkill, T.
登録日2022-07-12
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8DP4
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BU of 8dp4 by Molmil
Beta-lactamase CTX-M-14 T235A
分子名称: Beta-lactamase
著者Lu, S, Palzkill, T.
登録日2022-07-14
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8DON
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BU of 8don by Molmil
Beta-lactamase CTX-M-14 T215A
分子名称: Beta-lactamase, PHOSPHATE ION
著者Lu, S, Palzkill, T.
登録日2022-07-13
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
7X1X
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BU of 7x1x by Molmil
Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase in complex with NAD+
分子名称: 4,5-dihydroxyphthalate dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Sharma, M, Mahto, J.K, Kumar, P.
登録日2022-02-24
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase.
Arch.Biochem.Biophys., 727, 2022
7WZD
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BU of 7wzd by Molmil
Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase from Comamonas testosteroni KF1
分子名称: 4,5-dihydroxyphthalate dehydrogenase, GLYCEROL
著者Sharma, M, Mahto, J.K, Kumar, P.
登録日2022-02-17
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase.
Arch.Biochem.Biophys., 727, 2022
7X2Y
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BU of 7x2y by Molmil
Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase in complex with NAD+ and 3-Hydroxybenzoate
分子名称: 3-HYDROXYBENZOIC ACID, 4,5-dihydroxyphthalate dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
著者Sharma, M, Mahto, J.K, Kumar, P.
登録日2022-02-26
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase.
Arch.Biochem.Biophys., 727, 2022
7VJU
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BU of 7vju by Molmil
Crystal Structure of terephthalate dioxygenase from Comamonas testosteroni KF1
分子名称: Aromatic-ring-hydroxylating dioxygenase beta subunit, DI(HYDROXYETHYL)ETHER, FE (II) ION, ...
著者Mahto, J.K, Kumar, P.
登録日2021-09-28
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Insights into Dihydroxylation of Terephthalate, a Product of Polyethylene Terephthalate Degradation.
J.Bacteriol., 204, 2022
8TN0
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BU of 8tn0 by Molmil
Crystal structure of KPC-44 carbapenemase w/o cryoprotectant
分子名称: SULFATE ION, beta-lactamase
著者Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B.
登録日2023-07-31
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023

 

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