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8PC9
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BU of 8pc9 by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 0 ms - native.
Descriptor: Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
8PCT
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BU of 8pct by Molmil
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
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
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BU of 8pcb by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 80 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
8PCC
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BU of 8pcc by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 100 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
8PCI
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BU of 8pci by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 5000 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
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BU of 8pcn by Molmil
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
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
8PCP
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BU of 8pcp by Molmil
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
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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
8PCE
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BU of 8pce by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 250 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
8PCS
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BU of 8pcs by Molmil
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, 1250 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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
8PCG
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BU of 8pcg by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 2000 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.51 Å)
Cite: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
8PCV
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BU of 8pcv by Molmil
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, 10000 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
8PCO
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BU of 8pco by Molmil
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, 150 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
8AQ6
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BU of 8aq6 by Molmil
NanoLuc luciferase with bound furimamide in surface allosteric site
Descriptor: CHLORIDE ION, GLYCEROL, N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide, ...
Authors:Nemergut, M, Marek, M.
Deposit date:2022-08-11
Release date:2023-08-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8AQI
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BU of 8aqi by Molmil
NanoLuc luciferase with bound coelenteramide in surface allosteric site
Descriptor: CHLORIDE ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, NanoLuc luciferase, ...
Authors:Nemergut, M, Marek, M.
Deposit date:2022-08-12
Release date:2023-08-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8R7M
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BU of 8r7m by Molmil
CTX-M14 in complex with boric acid and 1,2-diol boric ester
Descriptor: BORIC ACID, Beta-lactamase, GLYCEROL, ...
Authors:Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C.
Deposit date:2023-11-26
Release date:2024-01-17
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1 Å)
Cite: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
5CSE
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BU of 5cse by Molmil
Streptavidin-S112Y-K121E Complexed with Palladium-Containing Biotin Ligand
Descriptor: CHLORIDE ION, Streptavidin, chloro{di-tert-butyl[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~C~1~,C~3~)palladium
Authors:Finke, A.D, Vera, L, Marsh, M, Chatterjee, A, Ward, T.R.
Deposit date:2015-07-23
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:An enantioselective artificial Suzukiase based on the biotin-streptavidin technology.
Chem Sci, 7, 2016
8AQH
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BU of 8aqh by Molmil
NanoLuc-Y94A luciferase mutant
Descriptor: NanoLuc luciferase
Authors:Nemergut, M, Marek, M.
Deposit date:2022-08-12
Release date:2023-08-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8QRT
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BU of 8qrt by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
Descriptor: (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one, Acyl-acp thioesterase
Authors:Freigang, J.
Deposit date:2023-10-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
8QS0
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BU of 8qs0 by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
Descriptor: (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one, Acyl-acp thioesterase
Authors:Freigang, J.
Deposit date:2023-10-10
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
6AUE
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BU of 6aue by Molmil
Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-b
Descriptor: N-biotin-C-Co4(mu3-O)4(OAc)(Py)4(H2O)3-beta-alanine, Streptavidin
Authors:Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S.
Deposit date:2017-08-31
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Artificial Metalloproteins Containing Co
J. Am. Chem. Soc., 140, 2018
6AUL
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BU of 6aul by Molmil
Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-b
Descriptor: BIOTIN, Streptavidin
Authors:Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Artificial Metalloproteins Containing Co
J. Am. Chem. Soc., 140, 2018
6AUH
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BU of 6auh by Molmil
Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-a
Descriptor: N-biotin-C-Co4(mu3-O)4(OAc)(Py)3(H2O)3-beta-alanine, Streptavidin
Authors:Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Artificial Metalloproteins Containing Co
J. Am. Chem. Soc., 140, 2018
6AUO
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BU of 6auo by Molmil
Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112F
Descriptor: N-biotin-C-Co4(mu3-O)4(Py)3(H2O)4-beta-alanine, Streptavidin
Authors:Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Artificial Metalloproteins Containing Co
J. Am. Chem. Soc., 140, 2018
6C1W
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BU of 6c1w by Molmil
A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase
Descriptor: (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, Lactate racemase, ...
Authors:Fellner, M, Desguin, B, Hausinger, R.P, Hu, J.
Deposit date:2018-01-05
Release date:2018-03-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Lactate Racemase Nickel-Pincer Cofactor Operates by a Proton-Coupled Hydride Transfer Mechanism.
Biochemistry, 57, 2018
3NS9
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BU of 3ns9 by Molmil
Crystal structure of CDK2 in complex with inhibitor BS-194
Descriptor: (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol, Cell division protein kinase 2
Authors:Hazel, P, Freemont, P.S.
Deposit date:2010-07-01
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A Novel Pyrazolo[1,5-a]pyrimidine Is a Potent Inhibitor of Cyclin-Dependent Protein Kinases 1, 2, and 9, Which Demonstrates Antitumor Effects in Human Tumor Xenografts Following Oral Administration.
J.Med.Chem., 53, 2010

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PDB entries from 2024-08-14

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