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6X8H
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BU of 6x8h by Molmil
Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct
Descriptor: Ac-DW3-KE, Caspase-8
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct
To Be Published
6X8L
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BU of 6x8l by Molmil
Caspase-7 in complex with elongated ketomethylene inhibitor
Descriptor: Caspase-7, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Caspase-7 in complex with elongated ketomethylene inhibitor
To Be Published
6X8K
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BU of 6x8k by Molmil
Caspase-3 in complex with elongated ketomethylene inhibitor
Descriptor: Caspase-3, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Caspase-3 in complex with elongated ketomethylene inhibitor
To Be Published
6X8J
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BU of 6x8j by Molmil
Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct
Descriptor: Caspase-7, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
6X8I
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BU of 6x8i by Molmil
Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
Descriptor: Caspase-3, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
6W4N
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BU of 6w4n by Molmil
Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
Descriptor: 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide, Aminopeptidase, POTASSIUM ION
Authors:Xu, J.H, Solania, A, Wolan, D.W.
Deposit date:2020-03-11
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.623 Å)
Cite:Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
To Be Published
5WDK
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BU of 5wdk by Molmil
A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis
Descriptor: 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide, Aminopeptidase C, POTASSIUM ION
Authors:Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J.
Deposit date:2017-07-05
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro.
Acs Chem.Biol., 13, 2018
5WDL
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BU of 5wdl by Molmil
A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis
Descriptor: Aminopeptidase C, N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide, POTASSIUM ION
Authors:Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J.
Deposit date:2017-07-05
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.625 Å)
Cite:A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro.
Acs Chem.Biol., 13, 2018
6CL1
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BU of 6cl1 by Molmil
Caspase-7 in complex with Ac-DW3-KE
Descriptor: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20
Authors:Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2018-03-01
Release date:2019-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6CL0
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BU of 6cl0 by Molmil
Human caspase-3 in complex with Ac-ATS009-KE
Descriptor: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2018-03-01
Release date:2019-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6CL2
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BU of 6cl2 by Molmil
Caspase-7 in complex with Ac-ATS009-KE
Descriptor: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20
Authors:Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2018-03-01
Release date:2019-03-06
Last modified:2020-09-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6CKZ
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BU of 6ckz by Molmil
Human caspase-3 in complex with Ac-DW3-KE
Descriptor: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2018-03-01
Release date:2019-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6UQD
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BU of 6uqd by Molmil
Co-complex of S. pyogenes 10782 streptopain bound with a SuFEx-based optimized small molecule inhibitor
Descriptor: Streptopain, benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
Authors:Wolan, D.W, Woehl, J.L, Kitamura, S.
Deposit date:2019-10-18
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Sulfur(VI) Fluoride Exchange (SuFEx)-Enabled High-Throughput Medicinal Chemistry.
J.Am.Chem.Soc., 142, 2020

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