4ZNX
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6RUG
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5T1U
| Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality | Descriptor: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Parris, K.D, Vajdos, F. | Deposit date: | 2016-08-22 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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4ZJA
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5T1H
| Crystal structure of CK2 | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | Authors: | Feguson, A.D. | Deposit date: | 2016-08-19 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structure of CK2 To Be Published
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6RUN
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7PVT
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4P65
| Crystal structure of an cyclohexylalanine substituted insulin analog. | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Pandyarajan, V, Wan, Z, Weiss, M.A. | Deposit date: | 2014-03-21 | Release date: | 2014-10-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Aromatic Anchor at an Invariant Hormone-Receptor Interface: FUNCTION OF INSULIN RESIDUE B24 WITH APPLICATION TO PROTEIN DESIGN. J.Biol.Chem., 289, 2014
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5T31
| Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J. | Deposit date: | 2016-08-24 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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7PW0
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5T3H
| bovine trypsin soaked with selenourea for 5 min | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Luo, Z, Dauter, Z. | Deposit date: | 2016-08-25 | Release date: | 2016-11-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Selenourea: a convenient phasing vehicle for macromolecular X-ray crystal structures. Sci Rep, 6, 2016
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6G93
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5T3N
| Sp-2Cl-cAMPS bound to PKAR CBD2 | Descriptor: | (2S,4aR,6R,7R,7aS)-6-(6-amino-2-chloro-9H-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one, IODIDE ION, cAMP-dependent protein kinase regulatory subunit | Authors: | Littler, D.R, Gilson, P. | Deposit date: | 2016-08-26 | Release date: | 2016-10-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Disrupting the Allosteric Interaction between the Plasmodium falciparum cAMP-dependent Kinase and Its Regulatory Subunit. J. Biol. Chem., 291, 2016
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6G9J
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5T2Z
| Crystal Structure of Multi-drug Resistant HIV-1 Protease PR-S17 in Complex with Darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | Authors: | Agniswamy, J, Weber, I.T. | Deposit date: | 2016-08-24 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics. PLoS ONE, 11, 2016
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4YXR
| CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. | Descriptor: | 3-methyl-2H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Schiffer, A, Wendt, K.U. | Deposit date: | 2015-03-23 | Release date: | 2015-05-27 | Last modified: | 2015-06-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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4YXS
| CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24 | Descriptor: | N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Schiffer, A, Wendt, K.U. | Deposit date: | 2015-03-23 | Release date: | 2015-05-20 | Last modified: | 2015-06-03 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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7PVW
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7PVY
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6RZP
| Multicrystal structure of Proteinase K at room temperature using a multilayer monochromator. | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Sandy, J, Sandy, E, Sanchez-Weatherby, J, Mikolajek, H. | Deposit date: | 2019-06-13 | Release date: | 2019-07-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein-to-structure pipeline for ambient-temperature crystallography at VMXi Iucrj, 2023
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7PSX
| Structure of HOXB13 bound to hydroxymethylated DNA | Descriptor: | DNA (5'-D(P*GP*GP*AP*CP*CP*TP*5HCP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13, ... | Authors: | Morgunova, E, Popov, A, Yin, Y, Taipale, J. | Deposit date: | 2021-09-24 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of HOXB13 bound to hydroxymethylated DNA To Be Published
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5SY2
| Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | Deposit date: | 2016-08-10 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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7PRJ
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5T4M
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4LZV
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