3O64
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![BU of 3o64 by Molmil](/molmil-images/mine/3o64) | Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides | Descriptor: | (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ... | Authors: | Orth, P. | Deposit date: | 2010-07-28 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3JVH
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3NK7
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![BU of 3nk7 by Molmil](/molmil-images/mine/3nk7) | Structure of the Nosiheptide-resistance methyltransferase S-adenosyl-L-methionine Complex | Descriptor: | 23S rRNA methyltransferase, S-ADENOSYLMETHIONINE | Authors: | Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y. | Deposit date: | 2010-06-18 | Release date: | 2010-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus Biochemistry, 49, 2010
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3IKF
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![BU of 3ikf by Molmil](/molmil-images/mine/3ikf) | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2009-08-05 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011
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3NK6
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![BU of 3nk6 by Molmil](/molmil-images/mine/3nk6) | Structure of the Nosiheptide-resistance methyltransferase | Descriptor: | 23S rRNA methyltransferase | Authors: | Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y. | Deposit date: | 2010-06-18 | Release date: | 2010-07-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus Biochemistry, 49, 2010
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4E83
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4E82
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![BU of 4e82 by Molmil](/molmil-images/mine/4e82) | |
4E86
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6AEJ
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![BU of 6aej by Molmil](/molmil-images/mine/6aej) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-05 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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6AK4
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![BU of 6ak4 by Molmil](/molmil-images/mine/6ak4) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-30 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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3E08
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![BU of 3e08 by Molmil](/molmil-images/mine/3e08) | H55S mutant Xanthomonas campestris tryptophan 2,3-dioxygenase | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase | Authors: | Mowat, C.G, Campbell, L.P. | Deposit date: | 2008-07-31 | Release date: | 2008-09-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Histidine 55 of tryptophan 2,3-dioxygenase is not an active site base but regulates catalysis by controlling substrate binding Biochemistry, 47, 2008
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3TPX
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6WY0
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![BU of 6wy0 by Molmil](/molmil-images/mine/6wy0) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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6WXZ
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![BU of 6wxz by Molmil](/molmil-images/mine/6wxz) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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6WYD
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![BU of 6wyd by Molmil](/molmil-images/mine/6wyd) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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6XDB
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![BU of 6xdb by Molmil](/molmil-images/mine/6xdb) | Crystal structure of IRE1a in complex with G-6904 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Wallweber, H.A, Weiru, W. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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6XDF
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![BU of 6xdf by Molmil](/molmil-images/mine/6xdf) | Crystal structure of IRE1a in complex with G-4100 | Descriptor: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Steinbacher, S, Wang, W. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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6XDD
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![BU of 6xdd by Molmil](/molmil-images/mine/6xdd) | Crystal structure of IRE1 in complex with G-3053 | Descriptor: | 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Ackerly-Wallweber, H, Wang, W. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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6WY7
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![BU of 6wy7 by Molmil](/molmil-images/mine/6wy7) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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6J6K
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![BU of 6j6k by Molmil](/molmil-images/mine/6j6k) | Apo-state streptavidin | Descriptor: | Streptavidin | Authors: | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | Deposit date: | 2019-01-15 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution. Nat Commun, 10, 2019
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6J6J
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![BU of 6j6j by Molmil](/molmil-images/mine/6j6j) | Biotin-bound streptavidin | Descriptor: | BIOTIN, Streptavidin | Authors: | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | Deposit date: | 2019-01-15 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution. Nat Commun, 10, 2019
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6K4L
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7X9W
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![BU of 7x9w by Molmil](/molmil-images/mine/7x9w) | Sulfur Oxygenase Reductase from Acidianus ambivalens | Descriptor: | FE (III) ION, Sulfur oxygenase/reductase | Authors: | Sobhy, M.A, Hamdan, S.M. | Deposit date: | 2022-03-16 | Release date: | 2022-10-12 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Cryo-electron structures of the extreme thermostable enzymes Sulfur Oxygenase Reductase and Lumazine Synthase. Plos One, 17, 2022
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7X7M
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![BU of 7x7m by Molmil](/molmil-images/mine/7x7m) | Lumazine Synthase from Aquifex aeolicus | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | Authors: | Sobhy, M.A, Hamdan, S.M. | Deposit date: | 2022-03-09 | Release date: | 2022-10-12 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.33 Å) | Cite: | Cryo-electron structures of the extreme thermostable enzymes Sulfur Oxygenase Reductase and Lumazine Synthase. Plos One, 17, 2022
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4NJ3
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