5G15
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![BU of 5g15 by Molmil](/molmil-images/mine/5g15) | Structure Aurora A (122-403) bound to activating monobody Mb1 and AMPPCP | 分子名称: | AURORA A KINASE, MAGNESIUM ION, MB1 MONOBODY, ... | 著者 | Zorba, A, Kutter, S, Kern, D, Koide, S, Koide, A. | 登録日 | 2016-03-23 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Allosteric modulation of a human protein kinase with monobodies. Proc.Natl.Acad.Sci.USA, 116, 2019
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5F95
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![BU of 5f95 by Molmil](/molmil-images/mine/5f95) | Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide | 分子名称: | 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | 登録日 | 2015-12-09 | 公開日 | 2016-02-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.525 Å) | 主引用文献 | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors. J.Med.Chem., 59, 2016
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5FEK
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5FG8
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5YC6
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![BU of 5yc6 by Molmil](/molmil-images/mine/5yc6) | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | 分子名称: | 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ... | 著者 | Jiang, L.G, Zhang, X, Huang, M.D. | 登録日 | 2017-09-06 | 公開日 | 2018-10-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 8, 2018
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6BZS
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![BU of 6bzs by Molmil](/molmil-images/mine/6bzs) | Human ABCC6 NBD1 in Apo state | 分子名称: | Multidrug resistance-associated protein 6, SULFATE ION | 著者 | Zheng, A, Thibodeau, P.H. | 登録日 | 2017-12-26 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.29990458 Å) | 主引用文献 | Structural analysis reveals pathomechanisms associated with pseudoxanthoma elasticum-causing mutations in the ABCC6 transporter. J. Biol. Chem., 293, 2018
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5YCH
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![BU of 5ych by Molmil](/molmil-images/mine/5ych) | Ancestral myoglobin aMbWb of Basilosaurus relative (monophyly) | 分子名称: | Ancestral myoglobin aMbWb of Basilosaurus relative (monophyly), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T. | 登録日 | 2017-09-07 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.354 Å) | 主引用文献 | Tracing whale myoglobin evolution by resurrecting ancient proteins. Sci Rep, 8, 2018
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8ESY
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![BU of 8esy by Molmil](/molmil-images/mine/8esy) | D30N mutant HIV protease in complex with benzoxaborolone analog of darunavir | 分子名称: | CHLORIDE ION, GLYCEROL, Protease, ... | 著者 | Windsor, I.W, Graham, B.J, Raines, R.T. | 登録日 | 2022-10-15 | 公開日 | 2023-02-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability. Acs Med.Chem.Lett., 14, 2023
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8EWD
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![BU of 8ewd by Molmil](/molmil-images/mine/8ewd) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-22 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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8EWL
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![BU of 8ewl by Molmil](/molmil-images/mine/8ewl) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-24 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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5Y4T
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![BU of 5y4t by Molmil](/molmil-images/mine/5y4t) | Crystal structure of Trx domain of Grx3 from Saccharomyces cerevisiae | 分子名称: | GLYCEROL, Glutaredoxin | 著者 | Chi, C.B, Tang, Y.J, Zhang, J.H, Dai, Y.N, Abdalla, M, Chen, Y.X, Zhou, C.Z. | 登録日 | 2017-08-05 | 公開日 | 2018-08-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3. J.Mol.Biol., 430, 2018
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7BVM
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7KVH
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![BU of 7kvh by Molmil](/molmil-images/mine/7kvh) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I. | 登録日 | 2020-11-28 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.791 Å) | 主引用文献 | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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8EWM
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![BU of 8ewm by Molmil](/molmil-images/mine/8ewm) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-24 | 公開日 | 2023-02-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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8F7V
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![BU of 8f7v by Molmil](/molmil-images/mine/8f7v) | Macrocyclic plasmin inhibitor | 分子名称: | (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(benzenesulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide, GLYCEROL, Plasminogen, ... | 著者 | Guojie, W. | 登録日 | 2022-11-20 | 公開日 | 2023-02-08 | 最終更新日 | 2023-06-21 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Synthesis and structural characterization of new macrocyclicplasmin inhibitors Chemmedchem, 2023
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7KVM
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![BU of 7kvm by Molmil](/molmil-images/mine/7kvm) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I. | 登録日 | 2020-11-28 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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8EUH
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![BU of 8euh by Molmil](/molmil-images/mine/8euh) | cytochrome P450terp (cyp108A1) bound to alpha-terpineol | 分子名称: | 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Gable, J.A, Follmer, A.H, Poulos, T.L. | 登録日 | 2022-10-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1). J.Am.Chem.Soc., 2023
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4MQC
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7BSA
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![BU of 7bsa by Molmil](/molmil-images/mine/7bsa) | Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo) | 分子名称: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | 著者 | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | 登録日 | 2020-03-30 | 公開日 | 2020-08-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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6C7Z
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![BU of 6c7z by Molmil](/molmil-images/mine/6c7z) | Crystal structure of the Q108K:K40L:T51V:R58F mutant of human Cellular Retinol Binding Protein II in complex with synthetic Ligand Julolidine | 分子名称: | (2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal, ACETATE ION, Retinol-binding protein 2 | 著者 | Nosrati, M, Geiger, J.H. | 登録日 | 2018-01-23 | 公開日 | 2018-04-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | A Genetically Encoded Ratiometric pH Probe: Wavelength Regulation-Inspired Design of pH Indicators. Chembiochem, 19, 2018
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4MKI
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![BU of 4mki by Molmil](/molmil-images/mine/4mki) | Cobalt transporter ATP-binding subunit | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Energy-coupling factor transporter ATP-binding protein EcfA2, SULFATE ION | 著者 | Yu, Y, Zhang, L, Chai, C.L, Heymann, D. | 登録日 | 2013-09-05 | 公開日 | 2013-10-30 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for a homodimeric ATPase subunit of an ECF transporter Protein Cell, 4, 2013
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7BT7
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![BU of 7bt7 by Molmil](/molmil-images/mine/7bt7) | F-actin-ADP complex structure | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Kumari, A, Ragunath, V.K, Sirajuddin, M. | 登録日 | 2020-03-31 | 公開日 | 2020-05-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structural insights into actin filament recognition by commonly used cellular actin markers. Embo J., 39, 2020
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7BRW
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![BU of 7brw by Molmil](/molmil-images/mine/7brw) | Bovine Pancreatic Trypsin with 5-chlorotryptamine (Room Temperature) | 分子名称: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin | 著者 | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | 登録日 | 2020-03-30 | 公開日 | 2020-08-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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7BS0
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![BU of 7bs0 by Molmil](/molmil-images/mine/7bs0) | Bovine Pancreatic Trypsin with aniline (Room Temperature) | 分子名称: | ANILINE, CALCIUM ION, Cationic trypsin | 著者 | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | 登録日 | 2020-03-30 | 公開日 | 2020-08-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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6C93
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