5VT1
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![BU of 5vt1 by Molmil](/molmil-images/mine/5vt1) | Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor | 分子名称: | 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide, Calcium/calmodulin-dependent protein kinase kinase 2, MAGNESIUM ION | 著者 | Counago, R.M, Asquith, C.R.M, Arruda, P, Edwards, A.M, Gileadi, O, Kalogirou, A.S, Koutentis, P.A, Structural Genomics Consortium (SGC) | 登録日 | 2017-05-15 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors. Molecules, 23, 2018
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5YV9
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![BU of 5yv9 by Molmil](/molmil-images/mine/5yv9) | Structure of CaMKK2 in complex with CKI-009 | 分子名称: | 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | 著者 | Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2017-11-24 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method. J.Mol.Graph.Model., 99, 2020
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7LGI
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![BU of 7lgi by Molmil](/molmil-images/mine/7lgi) | The haddock model of GDP KRas in complex with promazine using chemical shift perturbations and intermolecular NOEs | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Wang, X, Gorfe, A.A, Putkey, J.A. | 登録日 | 2021-01-20 | 公開日 | 2021-07-21 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Antipsychotic phenothiazine drugs bind to KRAS in vitro. J.Biomol.Nmr, 75, 2021
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5ZLH
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![BU of 5zlh by Molmil](/molmil-images/mine/5zlh) | Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 | 分子名称: | Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX | 著者 | Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. | 登録日 | 2018-03-28 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A. Chem. Commun. (Camb.), 54, 2018
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6KKF
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4PDS
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![BU of 4pds by Molmil](/molmil-images/mine/4pds) | Crystal structure of Rad53 kinase domain and SCD2 in complex with AMPPNP | 分子名称: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase RAD53 | 著者 | Ho, C.S, Wybenga-Groot, L.E, Ceccarelli, D.F, Sicheri, F. | 登録日 | 2014-04-21 | 公開日 | 2014-05-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis of Rad53 kinase activation by dimerization and activation segment exchange. Cell Signal., 26, 2014
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5W0H
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7C3G
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![BU of 7c3g by Molmil](/molmil-images/mine/7c3g) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | 登録日 | 2020-05-12 | 公開日 | 2021-03-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva. Bioorg.Med.Chem.Lett., 38, 2021
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4PF4
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![BU of 4pf4 by Molmil](/molmil-images/mine/4pf4) | 1.1A X-RAY STRUCTURE OF THE APO CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE 1, aa 1-277 | 分子名称: | Death-associated protein kinase 1, GLYCEROL, MAGNESIUM ION, ... | 著者 | Temmerman, K, Simon, B, Wilmanns, M. | 登録日 | 2014-04-28 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | 1.1A X-RAY STRUCTURE OF THE APO CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE 1, aa 1-277 To Be Published
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6DA5
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![BU of 6da5 by Molmil](/molmil-images/mine/6da5) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I.F. | 登録日 | 2018-05-01 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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7CDM
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![BU of 7cdm by Molmil](/molmil-images/mine/7cdm) | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 42 kGy (4500 images from 2nd half of data set) | 分子名称: | Lysozyme C, MALONATE ION, SODIUM ION | 著者 | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | 登録日 | 2020-06-20 | 公開日 | 2021-03-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method. Acta Crystallogr.,Sect.D, 77, 2021
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4PGJ
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7CDN
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![BU of 7cdn by Molmil](/molmil-images/mine/7cdn) | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 42 kGy (9000 images) | 分子名称: | Lysozyme C, MALONATE ION, SODIUM ION | 著者 | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | 登録日 | 2020-06-20 | 公開日 | 2021-03-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method. Acta Crystallogr.,Sect.D, 77, 2021
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8G36
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![BU of 8g36 by Molmil](/molmil-images/mine/8g36) | Crystal structure of F182L-CYP199A4 in complex with terephthalic acid | 分子名称: | CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | 登録日 | 2023-02-06 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme. J.Am.Chem.Soc., 145, 2023
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6DAG
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![BU of 6dag by Molmil](/molmil-images/mine/6dag) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I.F. | 登録日 | 2018-05-01 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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7CDP
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![BU of 7cdp by Molmil](/molmil-images/mine/7cdp) | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 42 kGy (3000 images) | 分子名称: | Lysozyme C, MALONATE ION, SODIUM ION | 著者 | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | 登録日 | 2020-06-20 | 公開日 | 2021-03-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method. Acta Crystallogr.,Sect.D, 77, 2021
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7CDQ
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![BU of 7cdq by Molmil](/molmil-images/mine/7cdq) | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 83 kGy (3000 images) | 分子名称: | Lysozyme C, MALONATE ION, SODIUM ION | 著者 | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | 登録日 | 2020-06-20 | 公開日 | 2021-03-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method. Acta Crystallogr.,Sect.D, 77, 2021
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6KMH
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![BU of 6kmh by Molmil](/molmil-images/mine/6kmh) | The crystal structure of CASK/Mint1 complex | 分子名称: | Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ... | 著者 | Li, W, Feng, W. | 登録日 | 2019-07-31 | 公開日 | 2020-08-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion. Cell Discov, 6, 2020
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7CDR
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![BU of 7cdr by Molmil](/molmil-images/mine/7cdr) | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 210 kGy (3000 images) | 分子名称: | Lysozyme C, MALONATE ION, SODIUM ION | 著者 | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | 登録日 | 2020-06-20 | 公開日 | 2021-03-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method. Acta Crystallogr.,Sect.D, 77, 2021
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7CDK
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![BU of 7cdk by Molmil](/molmil-images/mine/7cdk) | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 42 kGy (4500 images from 1st half of data set) | 分子名称: | Lysozyme C, MALONATE ION, SODIUM ION | 著者 | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | 登録日 | 2020-06-20 | 公開日 | 2021-03-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method. Acta Crystallogr.,Sect.D, 77, 2021
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8G35
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![BU of 8g35 by Molmil](/molmil-images/mine/8g35) | Crystal structure of F182L-CYP199A4 in complex with (S)-4-(2-hydroxy-3-oxobutan-2-yl)benzoic acid | 分子名称: | 4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid, CHLORIDE ION, Cytochrome P450, ... | 著者 | Lee, J.H.Z, Bell, S.G, Bruning, J.B. | 登録日 | 2023-02-06 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme. J.Am.Chem.Soc., 145, 2023
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7LVI
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![BU of 7lvi by Molmil](/molmil-images/mine/7lvi) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | 分子名称: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | 著者 | Muckelbauer, J.K. | 登録日 | 2021-02-25 | 公開日 | 2021-07-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64, 2021
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7CDO
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![BU of 7cdo by Molmil](/molmil-images/mine/7cdo) | Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 21 kGy (3000 images) | 分子名称: | Lysozyme C, MALONATE ION, SODIUM ION | 著者 | Hasegawa, K, Baba, S, Kawamura, T, Yamamoto, M, Kumasaka, T. | 登録日 | 2020-06-20 | 公開日 | 2021-03-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method. Acta Crystallogr.,Sect.D, 77, 2021
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5YZF
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![BU of 5yzf by Molmil](/molmil-images/mine/5yzf) | X-ray crystal structure of met K42C sperm whale myoglobin | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, sperm whale myoglobin | 著者 | Yuan, H. | 登録日 | 2017-12-14 | 公開日 | 2018-03-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Formation of Cys-heme cross-link in K42C myoglobin under reductive conditions with molecular oxygen J. Inorg. Biochem., 182, 2018
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7LC2
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