4Y58
 
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6QMO
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6QMU
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4Y5K
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5DBX
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8GEY
 | | Crystal structure of human cellular retinol binding protein 1 in complex with 4-(hydroxymethyl)-1-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]piperidin-4-ol | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol, Retinol-binding protein 1 | | 著者 | Plau, J, Golczak, M. | | 登録日 | 2023-03-07 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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7UJX
 | | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Wych, D.C, Aoto, P.C, Wall, M.E. | | 登録日 | 2022-03-31 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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6BWU
 | | Crystal structure of carboxyhemoglobin in complex with beta Cys93 modifying agent, TD3 | | 分子名称: | 1H-1,2,3-triazole-5-thiol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Musayev, F.N, Safo, R.M, Safo, M.K. | | 登録日 | 2017-12-15 | | 公開日 | 2018-01-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
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4Y40
 | | Structure of Vaspin mutant D305C V383C | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 | | 著者 | Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. | | 登録日 | 2015-02-10 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin).
Biochem.J., 470, 2015
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4Y85
 | | Crystal structure of COT kinase domain in complex with 5-(5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine | | 分子名称: | 5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine, Mitogen-activated protein kinase kinase kinase 8 | | 著者 | Gutmann, S, Hinniger, A. | | 登録日 | 2015-02-16 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
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8GD2
 | | Crystal structure of human cellular retinol binding protein 1 in complex with N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-(2-thienylmethyl)methanamine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine, Retinol-binding protein 1 | | 著者 | Plau, J, Golczak, M. | | 登録日 | 2023-03-03 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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6BXZ
 | | Crystal Structure of Pig Protocadherin-15 EC10-MAD12 | | 分子名称: | CALCIUM ION, Protocadherin related 15 | | 著者 | De-la-Torre, P, Araya-Secchi, R, Choudhary, D, Sotomayor, M. | | 登録日 | 2017-12-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | A Mechanically Weak Extracellular Membrane-Adjacent Domain Induces Dimerization of Protocadherin-15.
Biophys. J., 115, 2018
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5YKS
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4YBF
 | | Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 1.25 A Resolution | | 分子名称: | Candidapepsin-2, DI(HYDROXYETHYL)ETHER | | 著者 | Dostal, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Brynda, J, Mareckova, L, Pichova, I. | | 登録日 | 2015-02-18 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis.
Acta Crystallogr.,Sect.D, 71, 2015
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7V0G
 | | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Wych, D.C, Aoto, P.C, Wall, M.E. | | 登録日 | 2022-05-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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6SRH
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2019-09-05 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
To Be Published
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4QPM
 | | Structure of Bub1 kinase domain | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Lin, Z.H, Jia, L.Y, Tomchick, D.R, Luo, X.L, Yu, H.T. | | 登録日 | 2014-06-24 | | 公開日 | 2014-10-22 | | 最終更新日 | 2014-12-24 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | Substrate-Specific Activation of the Mitotic Kinase Bub1 through Intramolecular Autophosphorylation and Kinetochore Targeting.
Structure, 22, 2014
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4YE1
 | | A cytochrome c plus calixarene structure - alternative ligand binding mode | | 分子名称: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Cytochrome c iso-1, GLYCEROL, ... | | 著者 | Mallon, M.M, McGovern, R.E, McCarty, A.A, Crowley, P.B. | | 登録日 | 2015-02-23 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | A cytochrome c-calixarene structure
To Be Published
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8GEV
 | | Crystal structure of human cellular retinol binding protein 1 in complex with 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine | | 分子名称: | 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine, Retinol-binding protein 1 | | 著者 | Plau, J, Golczak, M. | | 登録日 | 2023-03-07 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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8GEU
 | | Crystal structure of human cellular retinol binding protein 1 in complex with methyl({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)[(1-methylpyrazol-4-yl)methyl]amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine, Retinol-binding protein 1 | | 著者 | Plau, J, Golczak, M. | | 登録日 | 2023-03-07 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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5YC7
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4Y3H
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6SNX
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzamide | | 分子名称: | BENZAMIDE, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-08-27 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4YEM
 | | Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 0.9163A - new refinement | | 分子名称: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | | 登録日 | 2015-02-24 | | 公開日 | 2015-03-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
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6BZR
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