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7DCZ
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BU of 7dcz by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4- fluorophenyl}-5-cyanopyridine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Koriyama, Y, Hori, A, Ito, H, Yonezawa, S, Baba, Y, Tanimoto, N, Ueno, T, Yamamoto, S, Yamamoto, T, Asada, N, Morimoto, K, Einaru, S, Sakai, K, Kanazu, T, Matsuda, A, Yamaguchi, Y, Oguma, T, Timmers, M, Tritsmans, L, Kusakabe, K.I, Kato, A, Sakaguchi, G.
Deposit date:2020-10-27
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based beta-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial.
J.Med.Chem., 64, 2021
7A74
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BU of 7a74 by Molmil
Structure of G132N BlaC from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ...
Authors:Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
Deposit date:2020-08-27
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Two beta-Lactamase Variants with Reduced Clavulanic Acid Inhibition Display Different Millisecond Dynamics.
Antimicrob.Agents Chemother., 65, 2021
5NJ2
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BU of 5nj2 by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2017-03-27
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
5OYO
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BU of 5oyo by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis
Descriptor: ACETATE ION, Beta-lactamase, GLYCEROL, ...
Authors:Tassoni, R, Pannu, N.S.
Deposit date:2017-09-11
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
8OE5
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BU of 8oe5 by Molmil
Structure of P167S BlaC from Mycobacterium tuberculosis at pH 6.3
Descriptor: Beta-lactamase, CITRATE ANION, GLYCEROL
Authors:Sun, J, Chikunova, A, Ubbink, M.
Deposit date:2023-03-10
Release date:2023-08-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enhanced activity against a third-generation cephalosporin by destabilization of the active site of a class A beta-lactamase.
Int.J.Biol.Macromol., 250, 2023
8OE1
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BU of 8oe1 by Molmil
Structure of P167S BlaC from Mycobacterium tuberculosis at pH 5
Descriptor: Beta-lactamase, GLYCEROL
Authors:Sun, J, Chikunova, A, Ubbink, M.
Deposit date:2023-03-10
Release date:2023-08-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enhanced activity against a third-generation cephalosporin by destabilization of the active site of a class A beta-lactamase.
Int.J.Biol.Macromol., 250, 2023
8BTV
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BU of 8btv by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam
Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
Authors:Chikunova, A, Bruenle, S, Ubbink, M.
Deposit date:2022-12-02
Release date:2023-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BTW
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BU of 8btw by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis in complex with vaborbactam
Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
Authors:Chikunova, A, Bruenle, S, Ubbink, M.
Deposit date:2022-12-02
Release date:2023-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BTU
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BU of 8btu by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis
Descriptor: Beta-lactamase
Authors:Chikunova, A, Bruenle, S, Ubbink, M.
Deposit date:2022-11-30
Release date:2023-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BV4
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BU of 8bv4 by Molmil
Structure of BlaC from Mycobacterium tuberculosis in complex with vaborbactam
Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
Authors:Chikunova, A, Bruenle, S, Ubbink, M.
Deposit date:2022-12-01
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
2K16
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BU of 2k16 by Molmil
Solution structure of the free TAF3 PHD domain
Descriptor: Transcription initiation factor TFIID subunit 3, ZINC ION
Authors:van Ingen, H, van Schaik, F.M.A, Wienk, H, Timmers, M, Boelens, R.
Deposit date:2008-02-22
Release date:2008-07-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Recognition of the H3K4me3 mark by the TAF3-PHD finger
To be Published
2K17
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BU of 2k17 by Molmil
Solution structure of the TAF3 PHD domain in complex with a H3K4me3 peptide
Descriptor: H3K4me3 peptide, Transcription initiation factor TFIID subunit 3, ZINC ION
Authors:van Ingen, H, van Schaik, F.M.A, Wienk, H, Timmers, M, Boelens, R.
Deposit date:2008-02-22
Release date:2008-07-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Recognition of the H3K4me3 mark by the TAF3-PHD finger
To be Published

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PDB entries from 2024-04-10

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