5KAB
 
 | | Protein Tyrosine Phosphatase 1B Delta helix 7, P185G mutant in complex with TCS401, open state | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R. | | 登録日 | 2016-06-01 | | 公開日 | 2017-03-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.968 Å) | | 主引用文献 | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
|
|
1LWJ
 | | CRYSTAL STRUCTURE OF T. MARITIMA 4-ALPHA-GLUCANOTRANSFERASE/ACARBOSE COMPLEX | | 分子名称: | 4-ALPHA-GLUCANOTRANSFERASE, CALCIUM ION, MODIFIED ACARBOSE PENTASACCHARIDE | | 著者 | Roujeinikova, A, Raasch, C, Sedelnikova, S, Liebl, W, Rice, D.W. | | 登録日 | 2002-05-31 | | 公開日 | 2002-08-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA 4-ALPHA-GLUCANOTRANSFERASE AND ITS ACARBOSE COMPLEX:
IMPLICATIONS FOR SUBSTRATE SPECIFICITY AND CATALYSIS
J.Mol.Biol., 321, 2002
|
|
8PCT
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 2500 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION, ... | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
|
|
5J41
 | | Glutathione S-transferase bound with hydrolyzed Piperlongumine | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ... | | 著者 | Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K. | | 登録日 | 2016-03-31 | | 公開日 | 2016-11-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.19035351 Å) | | 主引用文献 | Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine.
J. Biol. Chem., 292, 2017
|
|
8PCM
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 80 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION, ... | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
|
|
8F3W
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) PAPAPAP variant penicillin bound form from Enterococcus faecium | | 分子名称: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | 著者 | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | | 登録日 | 2022-11-10 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics
To Be Published
|
|
8F3X
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) Poly-Gly variant apo form from Enterococcus faecium | | 分子名称: | Penicillin binding protein 5, SULFATE ION | | 著者 | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | | 登録日 | 2022-11-10 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics
To Be Published
|
|
8U5G
 | | Crystal structure of the co-expressed SDS22:PP1:I3 complex | | 分子名称: | E3 ubiquitin-protein ligase PPP1R11, FE (III) ION, PHOSPHATE ION, ... | | 著者 | Choy, M.S, Peti, W, Page, R. | | 登録日 | 2023-09-12 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The SDS22:PP1:I3 complex: SDS22 binding to PP1 loosens the active site metal to prime metal exchange.
J.Biol.Chem., 300, 2023
|
|
8F3Y
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) Poly-Gly variant penicillin bound form from Enterococcus faecium | | 分子名称: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | 著者 | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | | 登録日 | 2022-11-10 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics
To Be Published
|
|
8EY3
 | | Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37 | | 分子名称: | Cys_rich_CPCC domain-containing protein, FE (III) ION, SODIUM ION | | 著者 | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2022-10-26 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37
To Be Published
|
|
8PCI
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 5000 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
|
|
8PCN
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 100 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION, ... | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
|
|
8F3V
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) PAPAPAP variant apo form from Enterococcus faecium | | 分子名称: | Penicillin binding protein 5, SULFATE ION | | 著者 | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | | 登録日 | 2022-11-10 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics
To Be Published
|
|
8PCP
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 250 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION, ... | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
|
|
8PCB
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 80 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
|
|
5J1W
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-03-29 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
|
|
8PCC
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 100 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
|
|
5J28
 | | Ki67-PP1g (protein phosphatase 1, gamma isoform) holoenzyme complex | | 分子名称: | Antigen KI-67, MALONATE ION, SODIUM ION, ... | | 著者 | Kumar, G.S, Peti, W, Page, R. | | 登録日 | 2016-03-29 | | 公開日 | 2016-10-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Ki-67 and RepoMan mitotic phosphatases assemble via an identical, yet novel mechanism.
Elife, 5, 2016
|
|
2JB2
 | | The structure of L-amino acid oxidase from Rhodococcus opacus in complex with L-phenylalanine. | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, L-AMINO ACID OXIDASE, PHENYLALANINE | | 著者 | Faust, A, Niefind, K, Hummel, W, Schomburg, D. | | 登録日 | 2006-12-01 | | 公開日 | 2007-01-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | The Structure of a Bacterial L-Amino Acid Oxidase from Rhodococcus Opacus Gives New Evidence for the Hydride Mechanism for Dehydrogenation
J.Mol.Biol., 367, 2007
|
|
5COQ
 | | The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | | 分子名称: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | 登録日 | 2015-07-20 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
|
|
5CP8
 | | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | | 分子名称: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ... | | 著者 | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | 登録日 | 2015-07-21 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
|
|
8PCE
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 250 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
|
|
6N9X
 | | Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) and gp4 (helicase/primase) bound to DNA including RNA/DNA hybrid, and an incoming dTTP (LagS3) | | 分子名称: | DNA primase/helicase, DNA-directed DNA polymerase, MAGNESIUM ION, ... | | 著者 | Gao, Y, Fox, T, Val, N, Yang, W. | | 登録日 | 2018-12-04 | | 公開日 | 2019-03-06 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structures and operating principles of the replisome.
Science, 363, 2019
|
|
8F9K
 | |
8PCG
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 2000 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
|
|
