3OQF
| Crystal Structure Analysis of Renin-indole-piperazine inhibitor complexes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole, Renin | Authors: | Bocskei, Z. | Deposit date: | 2010-09-03 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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6FTF
| Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.09 A resolution | Descriptor: | 1,2-ETHANEDIOL, 7-cyano-7-deazainosine, Protein kinase A regulatory subunit, ... | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | Deposit date: | 2018-02-21 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09151936 Å) | Cite: | Nucleoside analogue activators of cyclic AMP-independent protein kinase A of Trypanosoma. Nat Commun, 10, 2019
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6G5Q
| The structure of a carbohydrate active P450 | Descriptor: | 6-O-methyl-beta-D-galactopyranose, Cytochrome P450, GLYCEROL, ... | Authors: | Robb, C.S, Hehemann, J.H. | Deposit date: | 2018-03-29 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases. Biochem. J., 475, 2018
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4EXG
| Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | Descriptor: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | Authors: | Borkakoti, N, Lindberg, J, Derbyshire, D. | Deposit date: | 2012-04-30 | Release date: | 2012-10-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
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4E43
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6FUI
| Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol | Descriptor: | (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid, Complement factor D | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | Deposit date: | 2018-02-27 | Release date: | 2018-06-06 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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3OXC
| Wild Type HIV-1 Protease with Antiviral Drug Saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, FORMIC ACID, Protease, ... | Authors: | Kovalevsky, A.Y, Wang, Y.-F, Tie, Y, Weber, I.T. | Deposit date: | 2010-09-21 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir Proteins, 67, 2007
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3OX7
| The crystal structure of uPA complex with peptide inhibitor MH027 at pH4.6 | Descriptor: | MH027, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Jiang, L.G, Andreasen, P.A, Huang, M.D. | Deposit date: | 2010-09-21 | Release date: | 2011-08-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The binding mechanism of a peptidic cyclic serine protease inhibitor J.Mol.Biol., 412, 2011
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4E7U
| The structure of T3R3 bovine insulin | Descriptor: | Insulin A chain, Insulin B chain, THIOCYANATE ION, ... | Authors: | Harris, P, Frankaer, C.G, Knudsen, M.V. | Deposit date: | 2012-03-19 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The structures of T(6), T(3)R(3) and R(6) bovine insulin: combining X-ray diffraction and absorption spectroscopy. Acta Crystallogr.,Sect.D, 68, 2012
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6GVL
| Second pair of Fibronectin type III domains of integrin beta4 bound to the bullous pemphigoid antigen BP230 (BPAG1e) | Descriptor: | Dystonin, Integrin beta-4 | Authors: | Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M. | Deposit date: | 2018-06-21 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes. Structure, 27, 2019
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4EDE
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6GOG
| KRAS-169 Q61H GPPNHP | Descriptor: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2018-06-01 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6GWQ
| Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with an Inhibitory Nanobody (VHH-2g-42) | Descriptor: | Plasminogen Activator Inhibitor-1, VHH-2g-42 | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | Deposit date: | 2018-06-25 | Release date: | 2020-01-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction. J.Thromb.Haemost., 18, 2020
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3P3Z
| Crystal Structure of the Cytochrome P450 Monooxygenase AurH from Streptomyces Thioluteus in Complex with Ancymidol | Descriptor: | (S)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol, CHLORIDE ION, Cytochrome P450, ... | Authors: | Zocher, G, Richter, M.E.A, Mueller, U, Hertweck, C. | Deposit date: | 2010-10-05 | Release date: | 2011-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase. J.Am.Chem.Soc., 133, 2011
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4EEJ
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3P5I
| Structure of the carbohydrate-recognition domain of human Langerin with 6-SO4-Gal-GlcNAc | Descriptor: | 6-O-sulfo-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 4 member K, CALCIUM ION | Authors: | Feinberg, H, Taylor, M.E, Razi, N, McBride, R, Knirel, Y.A, Graham, S.A, Drickamer, K, Weis, W.I. | Deposit date: | 2010-10-08 | Release date: | 2010-12-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site. J.Mol.Biol., 405, 2011
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3P4Z
| Time-dependent and Protein-directed In Situ Growth of Gold Nanoparticles in a Single Crystal of Lysozyme | Descriptor: | CHLORIDE ION, GOLD 3+ ION, GOLD ION, ... | Authors: | Wei, H, Wang, Z, Zhang, J, House, S, Gao, Y.-G, Yang, L, Robinson, H, Tan, L.H, Xing, H, Hou, C, Robertson, I.M, Zuo, J.-M, Lu, Y. | Deposit date: | 2010-10-07 | Release date: | 2011-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme. Nat Nanotechnol, 6, 2011
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3P5Q
| Ferric R-state human aquomethemoglobin | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yi, J, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2010-10-10 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of human R-state aquomethemoglobin at 2.0 A resolution Acta Crystallogr.,Sect.F, 67, 2011
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7DTB
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4EFN
| Crystal structure of H-Ras Q61L in complex with GppNHp (state 1) | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Muraoka, S, Shima, F, Araki, M, Inoue, T, Yoshimoto, A, Ijiri, Y, Seki, N, Tamura, A, Kumasaka, T, Yamamoto, M, Kataoka, T. | Deposit date: | 2012-03-30 | Release date: | 2012-05-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the state 1 conformations of the GTP-bound H-Ras protein and its oncogenic G12V and Q61L mutants Febs Lett., 586, 2012
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7E02
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7DTF
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3P6W
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4DI2
| Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 | Descriptor: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2012-01-30 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J.Med.Chem., 55, 2012
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6GJ5
| CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | Descriptor: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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