1U9Q
 
 | | Crystal structure of cruzain bound to an alpha-ketoester | | Descriptor: | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain | | Authors: | Lange, M, Weston, S.G, Cheng, H, Culliane, M, Fiorey, M.M, Grisostomi, C, Hardy, L.W, Hartstough, D.S, Pallai, P.V, Tilton, R.F, Baldino, C.M, Brinen, L.S, Engel, J.C, Choe, Y, Price, M.S, Craik, C.S. | | Deposit date: | 2004-08-10 | | Release date: | 2005-03-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease
Bioorg.Med.Chem., 13, 2005
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7TTZ
 | | Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Boulanger, M.J, Verstraete, M, Heinkel, F, Escobar, E, Dixit, S, Von Kreudenstein, T.S. | | Deposit date: | 2022-02-02 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Mabs, 14, 2022
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6VKO
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8G6B
 | | Crystal structure of PfAMA1-RON2L chimera | | Descriptor: | Apical membrane antigen 1, rhoptry neck protein 2 chimera, SULFATE ION | | Authors: | Boulanger, M.J, Ramaswamy, R. | | Deposit date: | 2023-02-14 | | Release date: | 2023-09-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure guided mimicry of an essential P. falciparum receptor-ligand complex enhances cross neutralizing antibodies.
Nat Commun, 14, 2023
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6NRH
 | | Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63 | | Descriptor: | 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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6NRJ
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93 | | Descriptor: | (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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6NTU
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6NRG
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57 | | Descriptor: | 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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6NRF
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103 | | Descriptor: | 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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6NRI
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83 | | Descriptor: | (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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5DS3
 | | Crystal structure of constitutively active PARP-1 | | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, PENTAETHYLENE GLYCOL, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2015-09-16 | | Release date: | 2016-07-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | PARP-1 Activation Requires Local Unfolding of an Autoinhibitory Domain.
Mol.Cell, 60, 2015
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2JKS
 | | Crystal structure of the the bradyzoite specific antigen BSR4 from toxoplasma gondii. | | Descriptor: | BRADYZOITE SURFACE ANTIGEN BSR4, ZINC ION | | Authors: | Boulanger, M.J, Grigg, M.E, Bruic, E, Grujic, O. | | Deposit date: | 2008-08-29 | | Release date: | 2009-02-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Characterization of the Bradyzoite Surface Antigen (Bsr4) from Toxoplasma Gondii, a Unique Addition to the Surface Antigen Glycoprotein 1-Related Superfamily.
J.Biol.Chem., 284, 2009
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1ET7
 | | CRYSTAL STRUCTURE OF NITRITE REDUCTASE HIS255ASP MUTANT FROM ALCALIGENES FAECALIS S-6 | | Descriptor: | CADMIUM ION, COPPER (II) ION, NITRITE REDUCTASE | | Authors: | Boulanger, M.J, Kukimoto, M, Nishiyama, M, Horinouchi, S, Murphy, M.E.P. | | Deposit date: | 2000-04-12 | | Release date: | 2000-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Catalytic roles for two water bridged residues (Asp-98 and His-255) in the active site of copper-containing nitrite reductase.
J.Biol.Chem., 275, 2000
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1ET8
 | | CRYSTAL STRUCTURE OF NITRITE REDUCTASE HIS255ASN MUTANT FROM ALCALIGENES FAECALIS | | Descriptor: | COPPER (II) ION, NITRITE REDUCTASE, ZINC ION | | Authors: | Boulanger, M.J, Kukimoto, M, Nishiyama, M, Horinouchi, S, Murphy, M.E.P. | | Deposit date: | 2000-04-12 | | Release date: | 2000-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Catalytic roles for two water bridged residues (Asp-98 and His-255) in the active site of copper-containing nitrite reductase.
J.Biol.Chem., 275, 2000
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1ET5
 | | CRYSTAL STRUCTURE OF NITRITE REDUCTASE ASP98ASN MUTANT FROM ALCALIGENES FAECALIS S-6 | | Descriptor: | COPPER (II) ION, NITRITE REDUCTASE, ZINC ION | | Authors: | Boulanger, M.J, Kukimoto, M, Nishiyama, M, Horinouchi, S, Murphy, M.E.P. | | Deposit date: | 2000-04-12 | | Release date: | 2000-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalytic roles for two water bridged residues (Asp-98 and His-255) in the active site of copper-containing nitrite reductase.
J.Biol.Chem., 275, 2000
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4DQY
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1J9Q
 | | Crystal structure of nitrite soaked oxidized D98N AFNIR | | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION | | Authors: | Boulanger, M.J, Murphy, M.E. | | Deposit date: | 2001-05-28 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
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1J9S
 | | Crystal structure of nitrite soaked oxidized H255N AFNIR | | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION | | Authors: | Boulanger, M.J, Murphy, M.E. | | Deposit date: | 2001-05-28 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
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1J9T
 | | Crystal structure of nitrite soaked reduced H255N AFNIR | | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION | | Authors: | Boulanger, M.J, Murphy, M.E. | | Deposit date: | 2001-05-28 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
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1J9R
 | | Crystal structure of nitrite soaked reduced D98N AFNIR | | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION | | Authors: | Boulanger, M.J, Murphy, M.E. | | Deposit date: | 2001-05-28 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
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1L9O
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1L9R
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1L9Q
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1L9T
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1KBV
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