5WQR
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![BU of 5wqr by Molmil](/molmil-images/mine/5wqr) | High resolution structure of high-potential iron-sulfur protein in the reduced state | Descriptor: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | Authors: | Ohno, H, Takeda, K, Niwa, S, Tsujinaka, T, Hanazono, Y, Hirano, Y, Miki, K. | Deposit date: | 2016-11-28 | Release date: | 2017-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Crystallographic characterization of the high-potential iron-sulfur protein in the oxidized state at 0.8 angstrom resolution PLoS ONE, 12, 2017
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2N5L
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![BU of 2n5l by Molmil](/molmil-images/mine/2n5l) | Regnase-1 C-terminal domain | Descriptor: | Ribonuclease ZC3H12A | Authors: | Yokogawa, M, Tsushima, T, Noda, N.N, Kumeta, H, Adachi, W, Enokizono, Y, Yamashita, K, Standley, D.M, Takeuchi, O, Akira, S, Inagaki, F. | Deposit date: | 2015-07-18 | Release date: | 2016-03-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions Sci Rep, 6, 2016
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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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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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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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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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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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6KL0
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![BU of 6kl0 by Molmil](/molmil-images/mine/6kl0) | Crystal structure of the S65T/F99S/M153T/V163A variant of perdeuterated GFP at pD 7.0 | Descriptor: | Green fluorescent protein | Authors: | Tai, Y, Takaba, K, Hanazono, Y, Miki, K, Takeda, K. | Deposit date: | 2019-07-28 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.798 Å) | Cite: | X-ray crystallographic studies on the hydrogen isotope effects of green fluorescent protein at sub-angstrom resolutions Acta Crystallogr.,Sect.D, 75, 2019
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6JGI
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![BU of 6jgi by Molmil](/molmil-images/mine/6jgi) | Crystal structure of the S65T/F99S/M153T/V163A variant of GFP at 0.85 A | Descriptor: | Green fluorescent protein | Authors: | Tai, Y, Takaba, K, Hanazono, Y, Miki, K, Takeda, K. | Deposit date: | 2019-02-14 | Release date: | 2019-04-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Subatomic resolution X-ray structures of green fluorescent protein. Iucrj, 6, 2019
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5WQQ
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![BU of 5wqq by Molmil](/molmil-images/mine/5wqq) | High resolution structure of high-potential iron-sulfur protein in the oxidized state | Descriptor: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | Authors: | Ohno, H, Takeda, K, Niwa, S, Tsujinaka, T, Hanazono, Y, Hirano, Y, Miki, K. | Deposit date: | 2016-11-28 | Release date: | 2017-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Crystallographic characterization of the high-potential iron-sulfur protein in the oxidized state at 0.8 angstrom resolution PLoS ONE, 12, 2017
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6KL1
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![BU of 6kl1 by Molmil](/molmil-images/mine/6kl1) | Crystal structure of the S65T/F99S/M153T/V163A variant of non-deuterated GFP at pD 8.5 | Descriptor: | Green fluorescent protein | Authors: | Tai, Y, Takaba, K, Hanazono, Y, Dao, H.A, Miki, K, Takeda, K. | Deposit date: | 2019-07-28 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.851 Å) | Cite: | X-ray crystallographic studies on the hydrogen isotope effects of green fluorescent protein at sub-angstrom resolutions Acta Crystallogr.,Sect.D, 75, 2019
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4PM0
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![BU of 4pm0 by Molmil](/molmil-images/mine/4pm0) | PDE7A catalytic domain in complex with 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivative | Descriptor: | 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | Authors: | Kawai, K, Endo, Y, Asano, T, Amano, S, Sawada, K, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Nagata, N. | Deposit date: | 2014-05-20 | Release date: | 2014-12-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one Derivatives as a New Series of Potent Phosphodiesterase 7 Inhibitors. J.Med.Chem., 57, 2014
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2N5K
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![BU of 2n5k by Molmil](/molmil-images/mine/2n5k) | Regnase-1 Zinc finger domain | Descriptor: | Ribonuclease ZC3H12A, ZINC ION | Authors: | Yokogawa, M, Tsushima, T, Noda, N.N, Kumeta, H, Adachi, W, Enokizono, Y, Yamashita, K, Standley, D.M, Takeuchi, O, Akira, S, Inagaki, F. | Deposit date: | 2015-07-18 | Release date: | 2016-03-16 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions Sci Rep, 6, 2016
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6KKZ
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![BU of 6kkz by Molmil](/molmil-images/mine/6kkz) | Crystal structure of the S65T/F99S/M153T/V163A variant of perdeuterated GFP at pD 8.5 | Descriptor: | Green fluorescent protein | Authors: | Tai, Y, Takaba, K, Hanazono, Y, Dao, H.A, Miki, K, Takeda, K. | Deposit date: | 2019-07-28 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | X-ray crystallographic studies on the hydrogen isotope effects of green fluorescent protein at sub-angstrom resolutions Acta Crystallogr.,Sect.D, 75, 2019
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2N5J
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![BU of 2n5j by Molmil](/molmil-images/mine/2n5j) | Regnase-1 N-terminal domain | Descriptor: | Ribonuclease ZC3H12A | Authors: | Yokogawa, M, Tsushima, T, Noda, N.N, Kumeta, H, Adachi, W, Enokizono, Y, Yamashita, K, Standley, D.M, Takeuchi, O, Akira, S, Inagaki, F. | Deposit date: | 2015-07-18 | Release date: | 2016-03-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions Sci Rep, 6, 2016
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3AAC
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![BU of 3aac by Molmil](/molmil-images/mine/3aac) | Small heat shock protein hsp14.0 with the mutations of I120F and I122F in the form II crystal | Descriptor: | Putative uncharacterized protein ST1653 | Authors: | Takeda, K, Hayashi, T, Abe, T, Hirano, Y, Hanazono, Y, Yohda, M, Miki, K. | Deposit date: | 2009-11-13 | Release date: | 2010-11-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dimer structure and conformational variability in the N-terminal region of an archaeal small heat shock protein, StHsp14.0 J.Struct.Biol., 174, 2011
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3AAB
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![BU of 3aab by Molmil](/molmil-images/mine/3aab) | Small heat shock protein hsp14.0 with the mutations of I120F and I122F in the form I crystal | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Putative uncharacterized protein ST1653 | Authors: | Takeda, K, Hayashi, T, Abe, T, Hirano, Y, Hanazono, Y, Yohda, M, Miki, K. | Deposit date: | 2009-11-13 | Release date: | 2010-11-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Dimer structure and conformational variability in the N-terminal region of an archaeal small heat shock protein, StHsp14.0 J.Struct.Biol., 174, 2011
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3A52
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![BU of 3a52 by Molmil](/molmil-images/mine/3a52) | Crystal structure of cold-active alkailne phosphatase from psychrophile Shewanella sp. | Descriptor: | Cold-active alkaline phosphatase, MAGNESIUM ION, SULFATE ION, ... | Authors: | Tsuruta, H, Mikami, B, Higashi, T, Aizono, Y. | Deposit date: | 2009-07-24 | Release date: | 2010-04-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of cold-active alkaline phosphatase from the psychrophile Shewanella sp. Biosci.Biotechnol.Biochem., 74, 2010
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5DHD
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![BU of 5dhd by Molmil](/molmil-images/mine/5dhd) | Crystal structure of ChBD2 from Thermococcus kodakarensis KOD1 | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Chitinase, SULFATE ION | Authors: | Hibi, M, Niwa, S, Takeda, K, Miki, K. | Deposit date: | 2015-08-30 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Crystal structures of chitin binding domains of chitinase from Thermococcus kodakarensis KOD1 Febs Lett., 590, 2016
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5DHE
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![BU of 5dhe by Molmil](/molmil-images/mine/5dhe) | Crystal structure of ChBD3 from Thermococcus kodakarensis KOD1 | Descriptor: | Chitinase, GLYCEROL | Authors: | Niwa, S, Hibi, M, Takeda, K, Miki, K. | Deposit date: | 2015-08-30 | Release date: | 2016-02-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of chitin binding domains of chitinase from Thermococcus kodakarensis KOD1 Febs Lett., 590, 2016
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5XM1
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![BU of 5xm1 by Molmil](/molmil-images/mine/5xm1) | The mouse nucleosome structure containing H2A, H2B type3-A, H3mm7, and H4 | Descriptor: | DNA (146-MER), Histone H2A type 1-B, Histone H2B type 3-A, ... | Authors: | Taguchi, H, Horikoshi, N, Kurumizaka, H. | Deposit date: | 2017-05-12 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Histone H3.3 sub-variant H3mm7 is required for normal skeletal muscle regeneration. Nat Commun, 9, 2018
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5XM0
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![BU of 5xm0 by Molmil](/molmil-images/mine/5xm0) | The mouse nucleosome structure containing H2A, H2B type3-A, H3.3, and H4 | Descriptor: | DNA (146-MER), Histone H2A type 1-B, Histone H2B type 3-A, ... | Authors: | Taguchi, H, Horikoshi, N, Kurumizaka, H. | Deposit date: | 2017-05-12 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.874 Å) | Cite: | Histone H3.3 sub-variant H3mm7 is required for normal skeletal muscle regeneration. Nat Commun, 9, 2018
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5WR7
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![BU of 5wr7 by Molmil](/molmil-images/mine/5wr7) | Crystal structure of Trk-A complexed with a selective inhibitor CH7057288 | Descriptor: | High affinity nerve growth factor receptor, N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide | Authors: | Tanaka, H, Blaesse, M, Augustin, M, Goesser, C. | Deposit date: | 2016-11-30 | Release date: | 2017-12-06 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer. Mol. Cancer Ther., 17, 2018
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6M5A
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![BU of 6m5a by Molmil](/molmil-images/mine/6m5a) | Crystal structure of GH121 beta-L-arabinobiosidase HypBA2 from Bifidobacterium longum | Descriptor: | 1,2-ETHANEDIOL, Beta-L-arabinobiosidase, CALCIUM ION, ... | Authors: | Saito, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | Deposit date: | 2020-03-10 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of beta-L-arabinobiosidase belonging to glycoside hydrolase family 121. Plos One, 15, 2020
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2ZZU
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![BU of 2zzu by Molmil](/molmil-images/mine/2zzu) | Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine | Descriptor: | 3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T. | Deposit date: | 2009-02-25 | Release date: | 2009-03-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and synthesis of peptidomimetic factor VIIa inhibitors Chem.Pharm.Bull., 58, 2010
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