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8C54
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Cryo-EM structure of NADH bound SLA dehydrogenase RlGabD from Rhizobium leguminosarum bv. trifolii SRD1565
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Succinate semialdehyde dehydrogenase
著者Sharma, M, Meek, R.W, Armstrong, Z, Blaza, J.N, Alhifthi, A, Li, J, Goddard-Borger, E.D, Williams, S.J, Davies, G.J.
登録日2023-01-06
公開日2023-09-20
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Molecular basis of sulfolactate synthesis by sulfolactaldehyde dehydrogenase from Rhizobium leguminosarum.
Chem Sci, 14, 2023
8VB1
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Crystal structure of HIV-1 protease with GS-9770
分子名称: (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease
著者Lansdon, E.B.
登録日2023-12-11
公開日2024-03-06
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability.
Antimicrob.Agents Chemother., 68, 2024
8DA2
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BU of 8da2 by Molmil
Acinetobacter baumannii L,D-transpeptidase
分子名称: L,D-transpeptidase family protein
著者Toth, M, Stewart, N.K, Smith, C.A, Vakulenko, S.B.
登録日2022-06-12
公開日2022-09-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The l,d-Transpeptidase Ldt Ab from Acinetobacter baumannii Is Poorly Inhibited by Carbapenems and Has a Unique Structural Architecture.
Acs Infect Dis., 8, 2022
4XZZ
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BU of 4xzz by Molmil
Structure of Helicobacter pylori Csd6 in the ligand-free state
分子名称: Conserved hypothetical secreted protein, GLYCEROL
著者Kim, H.S, Im, H.N, Yoon, H.J, Suh, S.W.
登録日2015-02-05
公開日2015-09-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The Cell Shape-determining Csd6 Protein from Helicobacter pylori Constitutes a New Family of l,d-Carboxypeptidase
J.Biol.Chem., 290, 2015
4Y4V
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Structure of Helicobacter pylori Csd6 in the D-Ala-bound state
分子名称: Conserved hypothetical secreted protein, D-ALANINE, GLYCEROL
著者Kim, H.S, Im, H.N, Yoon, H.J, Suh, S.W.
登録日2015-02-11
公開日2015-09-02
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The Cell Shape-determining Csd6 Protein from Helicobacter pylori Constitutes a New Family of l,d-Carboxypeptidase
J.Biol.Chem., 290, 2015
7JMT
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BU of 7jmt by Molmil
Crystal structure of schistosome BCL-2 bound to ABT-737
分子名称: 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein
著者Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D.
登録日2020-08-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
7PJ4
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Crystal structure of catalytic domain in closed conformation of LytB (E585Q)from Streptococcus pneumoniae
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ6
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Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM-NAG peptidolycan analogue
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ5
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Crystal structure of catalytic domain of LytB from Streptococcus pneumoniae in complex with NAG-NAG-NAG-NAG tetrasaccharide
分子名称: 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, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PL2
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Crystal structure of choline-binding module of LytB from Streptococcus pneumoniae
分子名称: CHOLINE ION, Putative endo-beta-N-acetylglucosaminidase
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-28
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PL5
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Crystal structure of choline-binding module (R1-R9) of LytB from Streptococcus pneumoniae
分子名称: CHOLINE ION, Putative endo-beta-N-acetylglucosaminidase, TRIETHYLENE GLYCOL, ...
著者Molina, R, Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-28
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ3
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Crystal structure of catalytic domain in open conformation of LytB from Streptococcus pneumoniae
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PL3
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Crystal structure of catalytic domain in closed conformation of LytB from Streptococcus pneumoniae
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-28
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7POD
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BU of 7pod by Molmil
Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM tetrasaccharide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-09-08
公開日2022-09-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
5MMH
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BU of 5mmh by Molmil
The X-Ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa
分子名称: HTH-type transcriptional activator AmpR
著者Hermoso, J.A, Dominguez gil Velasco, T.
登録日2016-12-09
公開日2017-01-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Muropeptide Binding and the X-ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
6E2M
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BU of 6e2m by Molmil
ASK1 kinase domain complex with inhibitor
分子名称: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
著者Lansdon, E.B.
登録日2018-07-11
公開日2018-09-19
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6E2N
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ASK1 kinase domain complex with inhibitor
分子名称: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
著者Lansdon, E.B.
登録日2018-07-11
公開日2018-09-19
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6E2O
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ASK1 kinase domain complex with inhibitor
分子名称: 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Lansdon, E.B.
登録日2018-07-11
公開日2018-09-19
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6R5N
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The crystal structure of Glycoside Hydrolase BglX from P. aeruginosa in complex with 1-deoxynojirimycin
分子名称: 1-DEOXYNOJIRIMYCIN, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5O
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The crystal structure the Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with two glucose molecules
分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5R
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The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with cellobiose
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5I
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The crystal structure of the Glycoside Hydrolase BglX from P. aeruginosa
分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, SULFATE ION
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
5OAU
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Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae
分子名称: Penicillin-binding protein 2X
著者Bernardo-Garcia, N, Hermoso, J.A.
登録日2017-06-23
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae.
ACS Chem. Biol., 13, 2018
5OJ1
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Penicillin Binding Protein 2x (PBP2x) from S.pneumoniae in complex with Oxacillin and a tetrasaccharide
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Penicillin-binding protein 2X, SODIUM ION
著者Bernardo-Garcia, N, Hermoso, J.A.
登録日2017-07-20
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae.
ACS Chem. Biol., 13, 2018
6Z3C
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High resolution structure of RgNanOx
分子名称: CITRATE ANION, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Naismith, J.H, Lee, M.O.
登録日2020-05-19
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Uncovering a novel molecular mechanism for scavenging sialic acids in bacteria.
J.Biol.Chem., 295, 2020

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