2JUS
 
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2JUT
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2JUR
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2JUQ
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2XCN
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-23 | | Release date: | 2010-06-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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2XCF
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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1ZMY
 | | cAbBCII-10 VHH framework with CDR loops of cAbLys3 grafted on it and in complex with hen egg white lysozyme | | Descriptor: | Antibody cabbcII-10:lys3, Lysozyme C | | Authors: | Saerens, D, Pellis, M, Loris, R, Pardon, E, Dumoulin, M, Matagne, A, Wyns, L, Muyldermans, S, Conrath, K. | | Deposit date: | 2005-05-11 | | Release date: | 2005-10-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Identification of a universal VHH framework to graft non-canonical antigen-binding loops of camel single-domain antibodies
J.Mol.Biol., 352, 2005
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3G9A
 | | Green fluorescent protein bound to minimizer nanobody | | Descriptor: | Green fluorescent protein, Minimizer | | Authors: | Kirchhofer, A, Helma, J, Schmidthals, K, Frauer, C, Cui, S, Karcher, A, Pellis, M, Muyldermans, S, Delucci, C.C, Cardoso, M.C, Leonhardt, H, Hopfner, K.-P, Rothbauer, U. | | Deposit date: | 2009-02-13 | | Release date: | 2009-12-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.614 Å) | | Cite: | Modulation of protein properties in living cells using nanobodies
Nat.Struct.Mol.Biol., 17, 2010
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3K1K
 | | Green fluorescent protein bound to enhancer nanobody | | Descriptor: | Enhancer, Green Fluorescent Protein | | Authors: | Kirchhofer, A, Helma, J, Schmidthals, K, Frauer, C, Cui, S, Karcher, A, Pellis, M, Muyldermans, S, Delucci, C.C, Cardoso, M.C, Leonhardt, H, Hopfner, K.-P, Rothbauer, U. | | Deposit date: | 2009-09-28 | | Release date: | 2009-12-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Modulation of protein properties in living cells using nanobodies
Nat.Struct.Mol.Biol., 17, 2010
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4YH3
 | | Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a) | | Descriptor: | 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | White, A, Lakshminarasimhan, D, Suto, R.K. | | Deposit date: | 2015-02-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
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4YH4
 | | Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d) | | Descriptor: | 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2015-02-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
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5EJC
 | | Crystal structural of the TSC1-TBC1D7 complex | | Descriptor: | Hamartin, TBC1 domain family member 7 | | Authors: | Wang, Z, Qin, J, Gong, W, Xu, W. | | Deposit date: | 2015-11-01 | | Release date: | 2016-03-02 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of the Interaction between Tuberous Sclerosis Complex 1 (TSC1) and Tre2-Bub2-Cdc16 Domain Family Member 7 (TBC1D7).
J.Biol.Chem., 291, 2016
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6SSH
 | | Structure of the TSC2 GAP domain | | Descriptor: | 1,2-ETHANEDIOL, GTPase activator-like protein | | Authors: | Hansmann, P, Kiontke, S, Kummel, D. | | Deposit date: | 2019-09-06 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the TSC2 GAP Domain: Mechanistic Insight into Catalysis and Pathogenic Mutations.
Structure, 28, 2020
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8UG3
 | | Crystal structure of KHK-C and compound 23 | | Descriptor: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ... | | Authors: | Durbin, J.D, Guo, S.Y. | | Deposit date: | 2023-10-05 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
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8UG1
 | | Crystal structure of KHK-C and compound 13 | | Descriptor: | GLYCEROL, Ketohexokinase, SULFATE ION, ... | | Authors: | Durbin, J.D, Guo, S.Y. | | Deposit date: | 2023-10-05 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
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4PVU
 | | Crystal structure of the complex between PPARgamma-LBD and the R enantiomer of Mbx-102 (Metaglidasen) | | Descriptor: | (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Piemontese, L, Lavecchia, A. | | Deposit date: | 2014-03-18 | | Release date: | 2015-02-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
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7A0N
 | | Structure of TSC1 NTD and linker domain | | Descriptor: | Uncharacterized protein,Uncharacterized protein | | Authors: | Fitzian, K, Kuemmel, D. | | Deposit date: | 2020-08-10 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | TSC1 binding to lysosomal PIPs is required for TSC complex translocation and mTORC1 regulation.
Mol.Cell, 81, 2021
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7A0M
 | | TSC1 N-terminal domain | | Descriptor: | SULFATE ION, TSC1 N-terminal domain | | Authors: | Zech, R, Kiontke, S, Kuemmel, D. | | Deposit date: | 2020-08-10 | | Release date: | 2021-05-26 | | Last modified: | 2021-07-14 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | TSC1 binding to lysosomal PIPs is required for TSC complex translocation and mTORC1 regulation.
Mol.Cell, 81, 2021
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4PWL
 | | Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen) | | Descriptor: | (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A, Piemontese, L. | | Deposit date: | 2014-03-20 | | Release date: | 2015-02-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
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