4UDS
 
 | | Crystal structure of MbdR regulator from Azoarcus sp. CIB | | Descriptor: | MBDR REGULATOR | | Authors: | Liu, H, Liu, H.X, MacMahon, S.A, Juarez, J.F, Zamarro, M.T, Eberlein, C, Boll, M, Carmona, M, Diaz, E, Naismith, J.H. | | Deposit date: | 2014-12-11 | | Release date: | 2014-12-24 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Unraveling the Specific Regulation of the Mbd Central Pathway for the Anaerobic Degradation of 3-Methylbenzoate.
J.Biol.Chem., 290, 2015
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2EYN
 | | Crystal structure of the actin-binding domain of human alpha-actinin 1 at 1.8 Angstrom resolution | | Descriptor: | Alpha-actinin 1 | | Authors: | Borrego-Diaz, E, Kerff, F, Lee, S.H, Ferron, F, Li, Y, Dominguez, R. | | Deposit date: | 2005-11-09 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the actin-binding domain of alpha-actinin 1: Evaluating two competing actin-binding models.
J.Struct.Biol., 155, 2006
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2EYI
 | | Crystal structure of the actin-binding domain of human alpha-actinin 1 at 1.7 Angstrom resolution | | Descriptor: | Alpha-actinin 1 | | Authors: | Borrego-Diaz, E, Kerff, F, Lee, S.H, Ferron, F, Li, Y, Dominguez, R. | | Deposit date: | 2005-11-09 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the actin-binding domain of alpha-actinin 1: Evaluating two competing actin-binding models.
J.Struct.Biol., 155, 2006
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4PSC
 | | Structure of cutinase from Trichoderma reesei in its native form. | | Descriptor: | Carbohydrate esterase family 5, GLYCEROL | | Authors: | Roussel, A, Amara, S, Nyyssola, A, Mateos-Diaz, E, Blangy, S, Kontkanen, H, Westerholm-Parvinen, A, Carriere, F, Cambillau, C. | | Deposit date: | 2014-03-07 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | A Cutinase from Trichoderma reesei with a Lid-Covered Active Site and Kinetic Properties of True Lipases.
J.Mol.Biol., 426, 2014
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4PSD
 | | Structure of Trichoderma reesei cutinase native form. | | Descriptor: | Carbohydrate esterase family 5 | | Authors: | Roussel, A, Amara, S, Nyyssola, A, Mateos-Diaz, E, Blangy, S, Kontkanen, H, Westerholm-Parvinen, A, Carriere, F, Cambillau, C. | | Deposit date: | 2014-03-07 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A Cutinase from Trichoderma reesei with a Lid-Covered Active Site and Kinetic Properties of True Lipases.
J.Mol.Biol., 426, 2014
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4PSE
 | | Trichoderma reesei cutinase in complex with a C11Y4 phosphonate inhibitor | | Descriptor: | Carbohydrate esterase family 5, UNDECYL-PHOSPHINIC ACID BUTYL ESTER, octyl beta-D-glucopyranoside | | Authors: | Roussel, A, Amara, S, Nyyssola, A, Mateos-Diaz, E, Blangy, S, Kontkanen, H, Westerholm-Parvinen, A, Carriere, F, Cambillau, C. | | Deposit date: | 2014-03-07 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | A Cutinase from Trichoderma reesei with a Lid-Covered Active Site and Kinetic Properties of True Lipases.
J.Mol.Biol., 426, 2014
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7OXL
 | | Crystal structure of human Spermine Oxidase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FAD-MDL72527 adduct, ... | | Authors: | Impagliazzo, A, Johannsson, S, Thomsen, M, Krapp, S. | | Deposit date: | 2021-06-22 | | Release date: | 2022-07-13 | | Last modified: | 2022-08-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor.
Commun Biol, 5, 2022
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7OY0
 | | Structure of human Spermine Oxidase in complex with a highly selective allosteric inhibitor | | Descriptor: | 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol, CHLORIDE ION, FAD-MDL72527 adduct, ... | | Authors: | Impagliazzo, A, Thomsen, M, Johannsson, S, Krapp, S. | | Deposit date: | 2021-06-23 | | Release date: | 2022-07-13 | | Last modified: | 2022-08-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor.
Commun Biol, 5, 2022
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5V8V
 | | Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate | | Authors: | Concha, N, Zhao, B. | | Deposit date: | 2017-03-22 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition.
Bioorg. Med. Chem. Lett., 27, 2017
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5VPM
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5VRP
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7JR8
 | | H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTATHIONE, ... | | Authors: | Nolte, R.T, Somers, D.O, Gampe, R.T. | | Deposit date: | 2020-08-11 | | Release date: | 2021-05-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
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7JR6
 | | H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | | Descriptor: | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | | Authors: | Nolte, R.T, Somers, D.O, Gampe, R.T. | | Deposit date: | 2020-08-11 | | Release date: | 2021-05-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
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6ZTC
 | | CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION. | | Descriptor: | 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one, GLUTATHIONE, GLYCEROL, ... | | Authors: | Somers, D.O. | | Deposit date: | 2020-07-17 | | Release date: | 2021-07-28 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
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6BTN
 | | BMP1 complexed with a reverse hydroxymate - compound 1 | | Descriptor: | (3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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6BSM
 | | BMP1 complexed with a reverse hydroxamate - compound 4 | | Descriptor: | Bone morphogenetic protein 1, N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide, ZINC ION | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-04 | | Release date: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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6BTO
 | | BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid | | Descriptor: | (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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6BTP
 | | BMP1 complexed with a hydroxamate | | Descriptor: | (1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-N-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide, Bone morphogenetic protein 1, THIOCYANATE ION, ... | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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6BSL
 | | BMP1 complexed with a reverse hydroxymate - compound 22 | | Descriptor: | 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid, ... | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-04 | | Release date: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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6BTQ
 | | BMP1 complexed with a hydroxamate - compound 2 | | Descriptor: | 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-D-alaninamide, ... | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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