4ORD
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7XKW
| The 3D strcuture of (-)-cyperene synthase with substrate analogue FSPP | Descriptor: | (-)-cyperene synthase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | Authors: | Yu, S.S, Zhu, P, Liu, Y.B, Ma, S.G, Ye, D, Shao, Y.Z, Li, W.R, Cui, Z.J. | Deposit date: | 2022-04-20 | Release date: | 2023-10-25 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Characterization and Engineering of Two Highly Paralogous Sesquiterpene Synthases Reveal a Regioselective Reprotonation Switch. Angew.Chem.Int.Ed.Engl., 63, 2024
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3ORW
| Crystal structure of thermophilic phosphotriesterase from Geobacillus kaustophilus HTA426 | Descriptor: | COBALT (II) ION, Phosphotriesterase | Authors: | Zheng, B.S, Yu, S.S, Zhang, Y, Lou, Z.Y, Feng, Y. | Deposit date: | 2010-09-07 | Release date: | 2011-09-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of thermophilic phosphotriesterase from Geobacillus kaustophilus HTA426 To be Published
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7CDL
| holo-methanol dehydrogenase (MDH) with Cys131-Cys132 reduced from Methylococcus capsulatus (Bath) | Descriptor: | CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 2, Methanol dehydrogenase protein, ... | Authors: | Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J. | Deposit date: | 2020-06-20 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath). J.Am.Chem.Soc., 143, 2021
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7CFX
| NAD-soaked Holo-methanol dehydrogenase (MDH) from Methylococcus capsulatus (Bath) | Descriptor: | CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 2, Methanol dehydrogenase protein, ... | Authors: | Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J. | Deposit date: | 2020-06-29 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath). J.Am.Chem.Soc., 143, 2021
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7CE9
| PQQ-soaked Apo-methanol dehydrogenase (MDH) from Methylococcus capsulatus (Bath) | Descriptor: | CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 2, Methanol dehydrogenase protein, ... | Authors: | Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J. | Deposit date: | 2020-06-22 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath). J.Am.Chem.Soc., 143, 2021
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7CED
| Apo-methanol dehydrogenase (MDH) from Methylococcus capsulatus (Bath) | Descriptor: | Methanol dehydrogenase [cytochrome c] subunit 2, Methanol dehydrogenase protein, large subunit | Authors: | Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J. | Deposit date: | 2020-06-22 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath). J.Am.Chem.Soc., 143, 2021
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7CE5
| Methanol-PQQ bound methanol dehydrogenase (MDH) from Methylococcus capsulatus (Bath) | Descriptor: | CALCIUM ION, METHANOL, Methanol dehydrogenase [cytochrome c] subunit 2, ... | Authors: | Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J. | Deposit date: | 2020-06-22 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath). J.Am.Chem.Soc., 143, 2021
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4XPX
| Crystal structure of hemerythrin:wild-type | Descriptor: | Bacteriohemerythrin, FE (II) ION | Authors: | Chuankhayan, P, Chen, K.H.C, Wu, H.H, Chen, C.J, Fukuda, M, Yu, S.S.F, Chan, S.I. | Deposit date: | 2015-01-18 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | The bacteriohemerythrin from Methylococcus capsulatus (Bath): Crystal structures reveal that Leu114 regulates a water tunnel. J.Inorg.Biochem., 150, 2015
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4XQ1
| Crystal structure of hemerythrin: L114A mutant | Descriptor: | Bacteriohemerythrin, FE (III) ION, NITRATE ION, ... | Authors: | Chuankhayan, P, Chen, K.H.C, Wu, H.H, Chen, C.J, Fukuda, M, Yu, S.S.F, Chan, S.I. | Deposit date: | 2015-01-18 | Release date: | 2015-04-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The bacteriohemerythrin from Methylococcus capsulatus (Bath): Crystal structures reveal that Leu114 regulates a water tunnel. J.Inorg.Biochem., 150, 2015
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4XPW
| Crystal structures of Leu114F mutant | Descriptor: | Bacteriohemerythrin, FE (II) ION, GLYCEROL | Authors: | Chuankhayan, P, Chen, K.H.C, Wu, H.H, Chen, C.J, Fukuda, M, Yu, S.S.F, Chan, S.I. | Deposit date: | 2015-01-18 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | The bacteriohemerythrin from Methylococcus capsulatus (Bath): Crystal structures reveal that Leu114 regulates a water tunnel. J.Inorg.Biochem., 150, 2015
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4XPY
| Crystal structure of hemerythrin : L114Y mutant | Descriptor: | Bacteriohemerythrin, FE (II) ION, GLYCEROL | Authors: | Chuankhayan, P, Chen, K.H.C, Wu, H.H, Chen, C.J, Fukuda, M, Yu, S.S.F, Chan, S.I. | Deposit date: | 2015-01-18 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | The bacteriohemerythrin from Methylococcus capsulatus (Bath): Crystal structures reveal that Leu114 regulates a water tunnel. J.Inorg.Biochem., 150, 2015
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7B1O
| Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22 | Descriptor: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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6WU8
| Structure of human SHP2 in complex with inhibitor IACS-13909 | Descriptor: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Joseph, S, Rodenberger, A. | Deposit date: | 2020-05-04 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib. Cancer Res., 80, 2020
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7TNC
| M13F/G116F Pseudomonas aeruginosa azurin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, CHLORIDE ION, ... | Authors: | Liu, Y, Lu, Y. | Deposit date: | 2022-01-20 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural Basis for the Effects of Phenylalanine on Tuning the Reduction Potential of Type 1 Copper in Azurin. Inorg.Chem., 62, 2023
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7U2F
| G116F Pseudomonas aeruginosa azurin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION | Authors: | Liu, Y, Lu, Y. | Deposit date: | 2022-02-23 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for the Effects of Phenylalanine on Tuning the Reduction Potential of Type 1 Copper in Azurin. Inorg.Chem., 62, 2023
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7R75
| Structure of human SHP2 in complex with compound 16 | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7R7D
| Structure of human SHP2 in complex with compound 22 | Descriptor: | 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7R7L
| Structure of human SHP2 in complex with compound 30 | Descriptor: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7R7I
| Structure of human SHP2 in complex with compound 27 | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7M63
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099 | Descriptor: | (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Leonard, P.G, Cross, J.B. | Deposit date: | 2021-03-25 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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7M7D
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968 | Descriptor: | (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leonard, P.G, Cross, J.B. | Deposit date: | 2021-03-27 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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7EV9
| cryoEM structure of particulate methane monooxygenase associated with Cu(I) | Descriptor: | Ammonia monooxygenase/methane monooxygenase, subunit C family protein, COPPER (I) ION, ... | Authors: | Chang, W.H, Lin, H.H, Tsai, I.K, Huang, S.H, Chung, S.C, Tu, I.P, Yu, S.F, Chan, S.I. | Deposit date: | 2021-05-20 | Release date: | 2021-07-21 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Copper Centers in the Cryo-EM Structure of Particulate Methane Monooxygenase Reveal the Catalytic Machinery of Methane Oxidation. J.Am.Chem.Soc., 143, 2021
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2OSH
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