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1M9N
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BU of 1m9n by Molmil
CRYSTAL STRUCTURE OF THE HOMODIMERIC BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME AVIAN ATIC IN COMPLEX WITH AICAR AND XMP AT 1.93 ANGSTROMS.
分子名称: AICAR TRANSFORMYLASE-IMP CYCLOHYDROLASE, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, POTASSIUM ION, ...
著者Wolan, D.W, Greasly, S.E, Beardsley, G.P, Wilson, I.A.
登録日2002-07-29
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Insights into the Avian AICAR Transformylase Mechanism.
Biochemistry, 41, 2002
5L20
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BU of 5l20 by Molmil
Crystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
分子名称: Clostripain-related protein, Peptide Inhibitor BTN-VLTK-AOMK
著者Wolan, D.W, Roncase, E.J.
登録日2016-07-29
公開日2017-08-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
To be published
1OZ0
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BU of 1oz0 by Molmil
CRYSTAL STRUCTURE OF THE HOMODIMERIC BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME AVIAN ATIC IN COMPLEX WITH A MULTISUBSTRATE ADDUCT INHIBITOR BETA-DADF.
分子名称: 2-[4-((2-AMINO-4-OXO-3,4-DIHYDRO-PYRIDO[3,2-D]PYRIMIDIN-6-YLMETHYL)-{3-[5-CARBAMOYL-3-(3,4- DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-3H-IMIDAZOL-4-YL]-ACRYLOYL}-AMINO)-BENZOYLAMINO]- PENTANEDIOIC ACID, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ...
著者Wolan, D.W, Greasley, S.E, Wall, M.J, Benkovic, S.J, Wilson, I.A.
登録日2003-04-07
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Avian AICAR Transformylase with a Multisubstrate Adduct Inhibitor beta-DADF Identifies the Folate Binding Site.
Biochemistry, 42, 2003
1PKX
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Crystal Structure of human ATIC in complex with XMP
分子名称: Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, XANTHOSINE-5'-MONOPHOSPHATE
著者Wolan, D.W, Cheong, C.G, Greasley, S.E, Wilson, I.A.
登録日2003-06-06
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Human and Avian IMP Cyclohydrolase Mechanism via Crystal Structures with the Bound XMP Inhibitor.
Biochemistry, 43, 2004
1HQ8
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CRYSTAL STRUCTURE OF THE MURINE NK CELL-ACTIVATING RECEPTOR NKG2D AT 1.95 A
分子名称: NKG2-D
著者Wolan, D.W, Teyton, L, Rudolph, M.G, Villmow, B, Bauer, S, Busch, D.H, Wilson, I.A.
登録日2000-12-14
公開日2001-03-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the murine NK cell-activating receptor NKG2D at 1.95 A.
Nat.Immunol., 2, 2001
6E69
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BU of 6e69 by Molmil
Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments
分子名称: 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wolan, D.W, Woehl, J.L, Kitamura, S.
登録日2018-07-24
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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
分子名称: Clostripain family, Peptide inhibitor Ac-VLTK-AOMK
著者Wolan, D.W, Gonzalez-Paez, G.E, Chatterjee, S.
登録日2015-02-24
公開日2016-03-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Substrate Profiling and High Resolution Co-complex Crystal Structure of a Secreted C11 Protease Conserved across Commensal Bacteria.
ACS Chem. Biol., 12, 2017
5WDK
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A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis
分子名称: 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide, Aminopeptidase C, POTASSIUM ION
著者Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J.
登録日2017-07-05
公開日2018-07-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献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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A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis
分子名称: Aminopeptidase C, N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide, POTASSIUM ION
著者Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J.
登録日2017-07-05
公開日2018-07-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.625 Å)
主引用文献A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro.
Acs Chem.Biol., 13, 2018
6MZO
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BU of 6mzo by Molmil
X-ray Structure of an Inactive Zymogen C11 Protease from Parabacteroides distasonis
分子名称: GLYCEROL, Inactive Zymogen C11 Protease
著者Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
登録日2018-11-05
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献X-ray structure of an inactive zymogen clostripain-like protease from Parabacteroides distasonis.
Acta Crystallogr D Struct Biol, 75, 2019
6NAG
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X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron "iotapain
分子名称: Clostripain-related protein, PROLINE
著者Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
登録日2018-12-05
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.683 Å)
主引用文献X-ray Structures of Two Bacteroides thetaiotaomicron C11 Proteases in Complex with Peptide-Based Inhibitors.
Biochemistry, 58, 2019
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
分子名称: Clostripain-related protein, Covalently bound peptide inhibitor
著者Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
登録日2018-12-03
公開日2019-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献X-ray Structures of Two Bacteroides thetaiotaomicron C11 Proteases in Complex with Peptide-Based Inhibitors.
Biochemistry, 58, 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
分子名称: Streptopain, benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
著者Wolan, D.W, Woehl, J.L, Kitamura, S.
登録日2019-10-18
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Sulfur(VI) Fluoride Exchange (SuFEx)-Enabled High-Throughput Medicinal Chemistry.
J.Am.Chem.Soc., 142, 2020
6UKD
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BU of 6ukd by Molmil
Co-complex of S. pyogenes 10782 streptopain bound with a nitrile-based specific covalent inhibitor
分子名称: NITRATE ION, Streptopain, benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
著者Wolan, D.W, Woehl, J.L, Kitamura, S.
登録日2019-10-04
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献An Irreversible Inhibitor to Probe the Role ofStreptococcus pyogenesCysteine Protease SpeB in Evasion of Host Complement Defenses.
Acs Chem.Biol., 15, 2020
4PS1
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BU of 4ps1 by Molmil
Caspase-8 specific unnatural amino acid peptides
分子名称: (BAL)LQ(HYP)(1U8) PEPTIDE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8
著者Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E.
登録日2014-03-06
公開日2015-01-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.731 Å)
主引用文献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
分子名称: (BAL)LQ(HYP)(1U8) PEPTIDE, Caspase-3
著者Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E.
登録日2014-03-06
公開日2015-01-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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
分子名称: (ACE)LET(1U8) PEPTIDE, Caspase-8, DITHIANE DIOL
著者Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E.
登録日2014-03-06
公開日2015-01-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.123 Å)
主引用文献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
分子名称: Ac-LETD-CHO, Caspase-3
著者Wolan, D.W, Gonzalez-Paez, G.E, Vickers, C.J.
登録日2014-03-06
公開日2015-01-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
4YGW
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BU of 4ygw by Molmil
RNase S in complex with stabilized S peptide
分子名称: 1-hydroxypropan-2-one, Ribonuclease A C2, S-peptide: ACE-LYS-GLU-THR-ALA-ALA-HCS-LYS-PHE-GLU-HCS-GLN-HIS-MET-ASP-SER, ...
著者Assem, N, Ferreira, D, Wolan, D.W, Dawson, P.E.
登録日2015-02-26
公開日2015-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Acetone-Linked Peptides: A Convergent Approach for Peptide Macrocyclization and Labeling.
Angew.Chem.Int.Ed.Engl., 54, 2015
6PX9
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BU of 6px9 by Molmil
Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R
分子名称: Caspase-8, N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
著者Xu, J.H, Wolan, D.W.
登録日2019-07-25
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity.
Acs Chem.Biol., 15, 2020
4JJ8
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Caspase-3 specific unnatural amino acid peptides
分子名称: Caspase Inhibitor, Caspase-7
著者Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2013-03-07
公開日2013-06-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.937 Å)
主引用文献Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
6W4N
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BU of 6w4n by Molmil
Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
分子名称: 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide, Aminopeptidase, POTASSIUM ION
著者Xu, J.H, Solania, A, Wolan, D.W.
登録日2020-03-11
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
To Be Published
6CL0
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BU of 6cl0 by Molmil
Human caspase-3 in complex with Ac-ATS009-KE
分子名称: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6CL1
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Caspase-7 in complex with Ac-DW3-KE
分子名称: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6CL2
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Caspase-7 in complex with Ac-ATS009-KE
分子名称: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2020-09-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019

 

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