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PDB: 592 件
5QAY
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OXA-48 IN COMPLEX WITH COMPOUND 32
分子名称: 1,2-ETHANEDIOL, 3-(1-methylpyrrol-2-yl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAF
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OXA-48 IN COMPLEX WITH COMPOUND 8c
分子名称: 1,2-ETHANEDIOL, 3-(4-fluorophenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAR
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OXA-48 IN COMPLEX WITH COMPOUND 23a
分子名称: 3-[3-(2-acetamidoethyl)phenyl]benzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QA7
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OXA-48 IN COMPLEX WITH COMPOUND 4b
分子名称: 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAP
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OXA-48 IN COMPLEX WITH COMPOUND 21a
分子名称: 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
7BN9
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Crystal Structure of Bacillus subtilis Penicillin Binding Protein 3
分子名称: Penicillin-binding protein 3
著者Rao, V.A, Lewis, R.J.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Cooperation between peptidoglycan transpeptidases and SEDS proteins in Bacillus subtilis cell division
To Be Published
7LY1
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Crystal structure of Pseudomonas aeruginosa PBP3 in complex with vaborbactam
分子名称: Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam
著者van den Akker, F, Kumar, V.
登録日2021-03-05
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of the boronic acid beta-lactamase inhibitor vaborbactam binding to Pseudomonas aeruginosa penicillin-binding protein 3.
Plos One, 16, 2021
4OON
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Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)
分子名称: (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
4OVD
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Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
分子名称: CALCIUM ION, Peptidoglycan glycosyltransferase
著者Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Babnigg, G, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-02-21
公開日2014-03-12
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
To be Published
2OLU
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BU of 2olu by Molmil
Structural Insight Into the Transglycosylation Step Of Bacterial Cell Wall Biosynthesis : Apoenzyme
分子名称: 1,2-ETHANEDIOL, Penicillin-binding protein 2
著者Lovering, A.L, De Castro, L.H, Lim, D, Strynadka, N.C.
登録日2007-01-19
公開日2007-03-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insight into the transglycosylation step of bacterial cell-wall biosynthesis.
Science, 315, 2007
2OLV
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Structural Insight Into the Transglycosylation Step Of Bacterial Cell Wall Biosynthesis : Donor Ligand Complex
分子名称: MOENOMYCIN, Penicillin-binding protein 2
著者Lovering, A.L, De Castro, L, Lim, D, Strynadka, N.C.J.
登録日2007-01-19
公開日2007-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insight into the transglycosylation step of bacterial cell-wall biosynthesis.
Science, 315, 2007
6KGH
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BU of 6kgh by Molmil
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis (apo-form)
分子名称: COBALT (II) ION, Penicillin-binding protein PbpB, SODIUM ION
著者Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H.
登録日2019-07-11
公開日2020-03-11
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
6KGS
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BU of 6kgs by Molmil
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with meropenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB
著者Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H.
登録日2019-07-12
公開日2020-03-11
実験手法X-RAY DIFFRACTION (2.309 Å)
主引用文献Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
6KGW
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Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with ampicillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB
著者Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H.
登録日2019-07-12
公開日2020-03-11
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
5DF7
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CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH AZLOCILLIN
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Cell division protein, ...
著者Ren, J, Nettleship, J.E, Males, A, Stuart, D.I, Owens, R.J.
登録日2015-08-26
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms.
Febs Lett., 590, 2016
1QME
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PENICILLIN-BINDING PROTEIN 2X (PBP-2X)
分子名称: PENICILLIN-BINDING PROTEIN 2X, SULFATE ION
著者Gordon, E.J, Mouz, N, Duee, E, Dideberg, O.
登録日1999-09-28
公開日2000-05-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Crystal Structure of the Penicillin-Binding Protein 2X from Streptococcus Pneumoniae and its Acyl-Enzyme Form: Implication in Drug Resistance.
J.Mol.Biol., 299, 2000
1QMF
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PENICILLIN-BINDING PROTEIN 2X (PBP-2X) ACYL-ENZYME COMPLEX
分子名称: 2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, CEFUROXIME (OCT-3-ENE FORM), PENICILLIN-BINDING PROTEIN 2X
著者Gordon, E.J, Mouz, N, Duee, E, Dideberg, O.
登録日1999-09-28
公開日2000-05-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Crystal Structure of the Penicillin Binding Protein 2X from Streptococcus Pneumoniae and its Acyl-Enzyme Form: Implication in Drug Resistance
J.Mol.Biol., 299, 2000
1RP5
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PBP2x from Streptococcus pneumoniae strain 5259 with reduced susceptibility to beta-lactam antibiotics
分子名称: SULFATE ION, penicillin-binding protein 2x
著者Pernot, L, Chesnel, L, Legouellec, A, Croize, J, Vernet, T, Dideberg, O, Dessen, A.
登録日2003-12-03
公開日2004-02-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A PBP2x from a clinical isolate of Streptococcus pneumoniae exhibits an alternative mechanism for reduction of susceptibility to beta-lactam antibiotics.
J.Biol.Chem., 279, 2004
1VQQ
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Structure of Penicillin binding protein 2a from methicillin resistant Staphylococcus aureus strain 27r at 1.80 A resolution.
分子名称: CADMIUM ION, CHLORIDE ION, penicillin-binding protein mecA, ...
著者Lim, D, Strynadka, N.C.J.
登録日2004-12-17
公開日2004-12-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the beta lactam resistance of PBP2a from methicillin-resistant Staphylococcus aureus.
Nat.Struct.Biol., 9, 2002
8P1U
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Structure of divisome complex FtsWIQLB
分子名称: Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ, ...
著者Yang, L, Chang, S, Tang, D, Dong, H.
登録日2023-05-12
公開日2024-05-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into the activation of the divisome complex FtsWIQLB.
Cell Discov, 10, 2024
7ZG8
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Crystal structure of A. baumannii penicillin-binding protein 2
分子名称: Peptidoglycan D,D-transpeptidase MrdA, ZINC ION
著者Micelli, C, Crow, A, Roper, D.I.
登録日2022-04-02
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A conserved zinc-binding site in Acinetobacter baumannii PBP2 required for elongasome-directed bacterial cell shape.
Proc.Natl.Acad.Sci.USA, 120, 2023
7ZUI
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PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 5Az - Streptococcus pneumoniae R6
分子名称: 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A.
登録日2022-05-12
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
7ZUH
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PENICILLIN-BINDING PROTEIN 1B (PBP-1B) Streptococcus pneumoniae R6
分子名称: CHLORIDE ION, MAGNESIUM ION, Penicillin-binding protein 1b
著者Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A.
登録日2022-05-12
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
7ZUJ
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PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 6Az - Streptococcus pneumoniae R6
分子名称: 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A.
登録日2022-05-12
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
7ZUK
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PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 7Az - Streptococcus pneumoniae R6
分子名称: 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A.
登録日2022-05-12
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022

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