4Z3B
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![BU of 4z3b by Molmil](/molmil-images/mine/4z3b) | Crystal structure of MnCO/apo-R52CFr | Descriptor: | CADMIUM ION, Ferritin light chain, GLYCEROL, ... | Authors: | Fujita, K, Tanaka, Y, Abe, S, Ueno, T. | Deposit date: | 2015-03-31 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | A Photoactive Carbon-Monoxide-Releasing Protein Cage for Dose-Regulated Delivery in Living Cells Angew.Chem.Int.Ed.Engl., 55, 2016
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6JSE
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![BU of 6jse by Molmil](/molmil-images/mine/6jse) | Crystal Structure of BACE1 in complex with N-(3-((4S,5R)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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6JSF
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![BU of 6jsf by Molmil](/molmil-images/mine/6jsf) | Crystal Structure of BACE1 in complex with N-(3-((4S,5S)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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6JSG
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![BU of 6jsg by Molmil](/molmil-images/mine/6jsg) | Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-chloropyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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6JSZ
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![BU of 6jsz by Molmil](/molmil-images/mine/6jsz) | BACE2 xaperone complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 2, CHLORIDE ION, N-[3-[(5R)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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6JSN
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![BU of 6jsn by Molmil](/molmil-images/mine/6jsn) | Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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7E5V
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![BU of 7e5v by Molmil](/molmil-images/mine/7e5v) | Crystal structure of Phm7 in complex with inhibitor | Descriptor: | Diels-Alderase, GLYCEROL, SULFATE ION, ... | Authors: | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | Deposit date: | 2021-02-20 | Release date: | 2021-06-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*. Angew.Chem.Int.Ed.Engl., 60, 2021
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7E5U
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![BU of 7e5u by Molmil](/molmil-images/mine/7e5u) | Crystal structure of Phm7 | Descriptor: | CHLORIDE ION, Diels-Alderase, GLYCEROL, ... | Authors: | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | Deposit date: | 2021-02-20 | Release date: | 2021-06-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*. Angew.Chem.Int.Ed.Engl., 60, 2021
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7E5T
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![BU of 7e5t by Molmil](/molmil-images/mine/7e5t) | Crystal structure of Fsa2 | Descriptor: | Diels-Alderase fsa2, ETHANOL, PENTAETHYLENE GLYCOL, ... | Authors: | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | Deposit date: | 2021-02-20 | Release date: | 2021-06-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.16977525 Å) | Cite: | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*. Angew.Chem.Int.Ed.Engl., 60, 2021
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7D5B
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![BU of 7d5b by Molmil](/molmil-images/mine/7d5b) | BACE2 xaperone complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 2, CHLORIDE ION, ... | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2020-09-25 | Release date: | 2021-03-31 | Last modified: | 2021-04-07 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2. J.Med.Chem., 64, 2021
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7D5A
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![BU of 7d5a by Molmil](/molmil-images/mine/7d5a) | Crystal Structure of BACE1 in complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2020-09-25 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2. J.Med.Chem., 64, 2021
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7D2X
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![BU of 7d2x by Molmil](/molmil-images/mine/7d2x) | Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2020-09-17 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2. J.Med.Chem., 64, 2021
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7D5U
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![BU of 7d5u by Molmil](/molmil-images/mine/7d5u) | BACE2 xaperone complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | Descriptor: | Beta-secretase 2, N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, xaperone | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2020-09-28 | Release date: | 2021-03-31 | Last modified: | 2021-04-07 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2. J.Med.Chem., 64, 2021
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7D2V
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![BU of 7d2v by Molmil](/molmil-images/mine/7d2v) | Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2020-09-17 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2. J.Med.Chem., 64, 2021
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1X2H
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![BU of 1x2h by Molmil](/molmil-images/mine/1x2h) | Crystal Structure of Lipate-Protein Ligase A from Escherichia coli complexed with lipoic acid | Descriptor: | LIPOIC ACID, Lipoate-protein ligase A | Authors: | Fujiwara, K, Toma, S, Okamura-Ikeda, K, Motokawa, Y, Nakagawa, A, Taniguchi, H. | Deposit date: | 2005-04-23 | Release date: | 2005-08-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Crystal structure of lipoate-protein ligase A from Escherichia coli: Determination of the lipoic acid-binding site J.Biol.Chem., 280, 2005
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1X2G
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![BU of 1x2g by Molmil](/molmil-images/mine/1x2g) | Crystal Structure of Lipate-Protein Ligase A from Escherichia coli | Descriptor: | Lipoate-protein ligase A | Authors: | Fujiwara, K, Toma, S, Okamura-Ikeda, K, Motokawa, Y, Nakagawa, A, Taniguchi, H. | Deposit date: | 2005-04-23 | Release date: | 2005-08-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of lipoate-protein ligase A from Escherichia coli: Determination of the lipoic acid-binding site J.Biol.Chem., 280, 2005
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1UEL
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![BU of 1uel by Molmil](/molmil-images/mine/1uel) | Solution structure of ubiquitin-like domain of hHR23B complexed with ubiquitin-interacting motif of proteasome subunit S5a | Descriptor: | 26S proteasome non-ATPase regulatory subunit 4, UV excision repair protein RAD23 homolog B | Authors: | Fujiwara, K, Tenno, T, Jee, J.G, Sugasawa, K, Ohki, I, Kojima, C, Tochio, H, Hiroaki, H, Hanaoka, H, Shirakawa, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-05-19 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure of the Ubiquitin-interacting Motif of S5a Bound to the Ubiquitin-like Domain of HR23B J.Biol.Chem., 279, 2004
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1V5B
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![BU of 1v5b by Molmil](/molmil-images/mine/1v5b) | The Structure Of The Mutant, S225A and E251L, Of 3-Isopropylmalate Dehydrogenase From Bacillus Coagulans | Descriptor: | 3-isopropylmalate dehydrogenase, SULFATE ION | Authors: | Fujita, K, Minami, H, Suzuki, K, Tsunoda, M, Sekiguchi, T, Mizui, R, Tsuzaki, S, Nakamura, S, Takenaka, A. | Deposit date: | 2003-11-22 | Release date: | 2005-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of a highly thermo-stabilized mutant of 3-isopropylmalate dehydrogenase from Bacillus coagulans: An evaluation of local packing density in the hydrophobic core To be Published
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1V53
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![BU of 1v53 by Molmil](/molmil-images/mine/1v53) | The crystal structure of 3-isopropylmalate dehydrogenase from Bacillus coagulans | Descriptor: | 3-isopropylmalate dehydrogenase | Authors: | Fujita, K, Minami, H, Suzuki, K, Tsunoda, M, Sekiguchi, T, Mizui, R, Tsuzaki, S, Nakamura, S, Takenaka, A. | Deposit date: | 2003-11-20 | Release date: | 2005-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The crystal structure of 3-isopropylmalate dehydrogenase from Bacillus coagulans To be Published
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2E5A
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![BU of 2e5a by Molmil](/molmil-images/mine/2e5a) | Crystal Structure of Bovine Lipoyltransferase in Complex with Lipoyl-AMP | Descriptor: | 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, ACETIC ACID, Lipoyltransferase 1, ... | Authors: | Fujiwara, K, Hosaka, H, Matsuda, M, Suzuki, M, Nakagawa, A. | Deposit date: | 2006-12-19 | Release date: | 2007-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of bovine Lipoyltransferase in complex with lipoyl-AMP J.Mol.Biol., 371, 2007
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3A7L
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![BU of 3a7l by Molmil](/molmil-images/mine/3a7l) | Crystal structure of E. coli apoH-protein | Descriptor: | Glycine cleavage system H protein | Authors: | Fujiwara, K, Maita, N. | Deposit date: | 2009-09-28 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A. J.Biol.Chem., 285, 2010
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6A17
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![BU of 6a17 by Molmil](/molmil-images/mine/6a17) | Crystal structure of CYP90B1 in complex with brassinazole | Descriptor: | (2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol, CHLORIDE ION, Cytochrome P450 90B1, ... | Authors: | Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S. | Deposit date: | 2018-06-06 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
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6A15
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![BU of 6a15 by Molmil](/molmil-images/mine/6a15) | Structure of CYP90B1 in complex with cholesterol | Descriptor: | CHLORIDE ION, CHOLESTEROL, Cytochrome P450 90B1, ... | Authors: | Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S. | Deposit date: | 2018-06-06 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
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6A18
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![BU of 6a18 by Molmil](/molmil-images/mine/6a18) | Crystal structure of CYP90B1 in complex with 1,6-hexandiol | Descriptor: | CHLORIDE ION, Cytochrome P450 90B1, GLYCEROL, ... | Authors: | Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S. | Deposit date: | 2018-06-06 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
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6A16
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![BU of 6a16 by Molmil](/molmil-images/mine/6a16) | Crystal structure of CYP90B1 in complex with uniconazole | Descriptor: | (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol, CHLORIDE ION, Cytochrome P450 90B1, ... | Authors: | Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S. | Deposit date: | 2018-06-06 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
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