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6MZO
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BU of 6mzo by Molmil
X-ray Structure of an Inactive Zymogen C11 Protease from Parabacteroides distasonis
Descriptor: GLYCEROL, Inactive Zymogen C11 Protease
Authors:Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
Deposit date:2018-11-05
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:X-ray structure of an inactive zymogen clostripain-like protease from Parabacteroides distasonis.
Acta Crystallogr D Struct Biol, 75, 2019
4RKX
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BU of 4rkx by Molmil
Identification and characterization of a small molecule inhibitor of S. pyogenes SpeB.
Descriptor: NITRATE ION, Streptopain, benzyl (cyanomethyl)carbamate
Authors:Wang, A.Y, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2014-10-14
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Identification and Co-complex Structure of a New S. pyogenes SpeB Small Molecule Inhibitor.
Biochemistry, 54, 2015
4YEC
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BU of 4yec by Molmil
Crystal structure of a clostripain (PARMER_00083) from Parabacteroides merdae ATCC 43184 in complex with peptide inhibitor Ac-VLTK-AOMK
Descriptor: Clostripain family, Peptide inhibitor Ac-VLTK-AOMK
Authors:Wolan, D.W, Gonzalez-Paez, G.E, Chatterjee, S.
Deposit date:2015-02-24
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Substrate Profiling and High Resolution Co-complex Crystal Structure of a Secreted C11 Protease Conserved across Commensal Bacteria.
ACS Chem. Biol., 12, 2017
6N9J
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BU of 6n9j by Molmil
X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron in complex with an irreversible peptide inhibitor
Descriptor: Clostripain-related protein, Covalently bound peptide inhibitor
Authors:Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
Deposit date:2018-12-03
Release date:2019-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:X-ray Structures of Two Bacteroides thetaiotaomicron C11 Proteases in Complex with Peptide-Based Inhibitors.
Biochemistry, 58, 2019
6NAG
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BU of 6nag by Molmil
X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron "iotapain
Descriptor: Clostripain-related protein, PROLINE
Authors:Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.683 Å)
Cite:X-ray Structures of Two Bacteroides thetaiotaomicron C11 Proteases in Complex with Peptide-Based Inhibitors.
Biochemistry, 58, 2019
4JJE
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BU of 4jje by Molmil
Caspase-3 specific unnatural amino acid peptides
Descriptor: Caspase inhibitor, Caspase-3
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
4JJ8
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BU of 4jj8 by Molmil
Caspase-3 specific unnatural amino acid peptides
Descriptor: Caspase Inhibitor, Caspase-7
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.937 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
4JJ7
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BU of 4jj7 by Molmil
Caspase-3 specific unnatural amino acid-based peptides
Descriptor: Caspase inhibitor, Caspase-8, DITHIANE DIOL
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.178 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
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
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
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
4PS1
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BU of 4ps1 by Molmil
Caspase-8 specific unnatural amino acid peptides
Descriptor: (BAL)LQ(HYP)(1U8) PEPTIDE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8
Authors:Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E.
Deposit date:2014-03-06
Release date:2015-01-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
4PS0
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BU of 4ps0 by Molmil
Caspase-8 specific unnatural amino acid peptides
Descriptor: (BAL)LQ(HYP)(1U8) PEPTIDE, Caspase-3
Authors:Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E.
Deposit date:2014-03-06
Release date:2015-01-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
4PRZ
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BU of 4prz by Molmil
Caspase-8 specific unnatural amino acid peptides
Descriptor: (ACE)LET(1U8) PEPTIDE, Caspase-8, DITHIANE DIOL
Authors:Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E.
Deposit date:2014-03-06
Release date:2015-01-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.123 Å)
Cite:Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
4PRY
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BU of 4pry by Molmil
Caspase-8 specific unnatural amino acid peptides
Descriptor: Ac-LETD-CHO, Caspase-3
Authors:Wolan, D.W, Gonzalez-Paez, G.E, Vickers, C.J.
Deposit date:2014-03-06
Release date:2015-01-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
4D8I
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BU of 4d8i by Molmil
High resolution structures of monomeric S. pyogenes SpeB reveals role of glycine-rich active site loop
Descriptor: ACE-AEIK-CHO ALDEHYDE (BOUND FORM), NITRATE ION, Streptopain
Authors:Gonzalez, G.E, Wolan, D.W.
Deposit date:2012-01-10
Release date:2012-06-06
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Ultrahigh and High Resolution Structures and Mutational Analysis of Monomeric Streptococcus pyogenes SpeB Reveal a Functional Role for the Glycine-rich C-terminal Loop.
J.Biol.Chem., 287, 2012
4D8E
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BU of 4d8e by Molmil
High resolution structures of monomeric S. pyogenes SpeB reveals role of glycine-rich active site loop
Descriptor: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, NITRATE ION, Streptopain
Authors:Gonzalez, G.E, Wolan, D.W.
Deposit date:2012-01-10
Release date:2012-06-06
Last modified:2012-08-01
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Ultrahigh and High Resolution Structures and Mutational Analysis of Monomeric Streptococcus pyogenes SpeB Reveal a Functional Role for the Glycine-rich C-terminal Loop.
J.Biol.Chem., 287, 2012
4D8B
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BU of 4d8b by Molmil
High resolution structure of monomeric S. progenies SpeB reveals role of glycine-rich active site loop
Descriptor: NITRATE ION, Streptopain
Authors:Gonzalez, G.E, Wolan, D.W.
Deposit date:2012-01-10
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.058 Å)
Cite:Ultrahigh and High Resolution Structures and Mutational Analysis of Monomeric Streptococcus pyogenes SpeB Reveal a Functional Role for the Glycine-rich C-terminal Loop.
J.Biol.Chem., 287, 2012
6UC5
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BU of 6uc5 by Molmil
Fab397 in complex with NPNA peptide
Descriptor: Fab397 heavy chain, Fab397 light chain, NPNA peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2019-09-13
Release date:2020-01-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Diverse Antibody Responses to Conserved Structural Motifs in Plasmodium falciparum Circumsporozoite Protein.
J.Mol.Biol., 432, 2020
6PX9
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BU of 6px9 by Molmil
Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R
Descriptor: Caspase-8, N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
Authors:Xu, J.H, Wolan, D.W.
Deposit date:2019-07-25
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity.
Acs Chem.Biol., 15, 2020

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