8KDX
 
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8JTZ
 | | hOCT1 in complex with spironolactone in outward facing partially occluded conformation | | 分子名称: | SPIRONOLACTONE, Solute carrier family 22 member 1 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTX
 | | hOCT1 in complex with nb5660 in inward facing fully open conformation | | 分子名称: | Solute carrier family 22 member 1, nanobody 56 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JU0
 | | hOCT1 in complex with spironolactone in inward facing occluded conformation | | 分子名称: | SPIRONOLACTONE, Solute carrier family 22 member 1 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-23 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8OF5
 | | Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP | | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Miles, J.A, Hammond, K.L.R, Bayliss, R. | | 登録日 | 2023-03-14 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP
To Be Published
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8JTS
 | | hOCT1 in complex with metformin in outward open conformation | | 分子名称: | Metformin, Solute carrier family 22 member 1 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.14 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTV
 | | hOCT1 in complex with metformin in inward occluded conformation | | 分子名称: | Metformin, Solute carrier family 22 member 1 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.77 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTT
 | | hOCT1 in complex with metformin in outward occluded conformation | | 分子名称: | Metformin, Solute carrier family 22 member 1 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTW
 | | hOCT1 in complex with nb5660 in inward facing partially open 1 conformation | | 分子名称: | Solute carrier family 22 member 1, nanobody 56 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTY
 | | hOCT1 in complex with nb5660 in inward facing partially open 2 conformation | | 分子名称: | Solute carrier family 22 member 1, nanobody 56 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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5NBV
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5N2N
 | | Crystal structure of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana complexed with Mg2+ and BeF3- | | 分子名称: | BERYLLIUM TRIFLUORIDE ION, Histidine kinase CKI1, MAGNESIUM ION | | 著者 | Otrusinova, O, Demo, G, Padrta, P, Jasenakova, Z, Pekarova, B, Gelova, Z, Szmitkowska, A, Kaderavek, P, Jansen, S, Zachrdla, M, Klumpler, T, Marek, J, Hritz, J, Janda, L, Iwai, H, Wimmerova, M, Hejatko, J, Zidek, L. | | 登録日 | 2017-02-08 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
J. Biol. Chem., 292, 2017
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5NB7
 | | Complement factor D | | 分子名称: | 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide, Complement factor D, DIMETHYL SULFOXIDE | | 著者 | Mac Sweeney, A, Ostermann, N. | | 登録日 | 2017-03-01 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
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5NJR
 | | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 4ET8 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | 著者 | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | | 登録日 | 2017-03-29 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
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5MYB
 | | Homodimerization of Tie2 Fibronectin-like domains 2 and 3 in space group P21 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ... | | 著者 | Leppanen, V.-M, Saharinen, P, Alitalo, K. | | 登録日 | 2017-01-26 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8JRL
 | | Crystal structure of P450 TleB with an indole alkaloid | | 分子名称: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Wang, J, Yan, W.P. | | 登録日 | 2023-06-17 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering.
Sci China Chem, 66, 2023
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5MGS
 | | Human receptor NKR-P1 in deglycosylated form, extracellular domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor subfamily B member 1 | | 著者 | Skalova, T, Blaha, J, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J. | | 登録日 | 2016-11-22 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
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5MNE
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5MNN
 | | Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K) | | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.859 Å) | | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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5MNX
 | | Neutron structure of cationic trypsin in complex with 2-aminopyridine | | 分子名称: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin | | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-10-09 | | 実験手法 | NEUTRON DIFFRACTION (1.42 Å) | | 主引用文献 | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MO2
 | | Neutron structure of cationic trypsin in complex with N-amidinopiperidine | | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | NEUTRON DIFFRACTION (1.5 Å) | | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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5MNQ
 | | Cationic trypsin in complex with a derivative of N-amidinopiperidine | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Schiebel, J, Ngo, K, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.337 Å) | | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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5MO0
 | | Neutron structure of cationic trypsin in complex with benzamidine | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin | | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | NEUTRON DIFFRACTION (1.502 Å) | | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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5M0P
 | | Crystal structure of cytochrome P450 OleT F79A in complex with arachidonic acid | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, Terminal olefin-forming fatty acid decarboxylase, ... | | 著者 | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | | 登録日 | 2016-10-05 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.
J. Biol. Chem., 292, 2017
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5LGO
 | | Trypsin inhibitors for the treatment of pancreatitis - cpd 15 | | 分子名称: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Schiering, N, D'Arcy, A. | | 登録日 | 2016-07-07 | | 公開日 | 2016-08-10 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
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