3NU3
 
 | | Wild Type HIV-1 Protease with Antiviral Drug Amprenavir | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
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3NV6
 | | Crystal Structure of Camphor-Bound CYP101D2 | | Descriptor: | CAMPHOR, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yang, W, Bell, S.G, Wang, H, Zhou, W.H, Bartlam, M, Wong, L.L, Rao, Z. | | Deposit date: | 2010-07-08 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of CYP101D2 unveils a potential path for substrate entry into the active site
Biochem.J., 433, 2011
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3NWQ
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3O17
 | | Crystal Structure of JNK1-alpha1 isoform | | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ... | | Authors: | Abad-Zapatero, C. | | Deposit date: | 2010-07-20 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of JNK1-alpha1 isoform
TO BE PUBLISHED
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3O4M
 | | Crystal structure of porcine pancreatic phospholipase A2 in complex with 1,2-dihydroxybenzene | | Descriptor: | CALCIUM ION, CATECHOL, Phospholipase A2, ... | | Authors: | Dileep, K.V, Tintu, I, Karthe, P, Mandal, P.K, Haridas, M, Sadasivan, C. | | Deposit date: | 2010-07-27 | | Release date: | 2010-08-25 | | Last modified: | 2011-11-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding to PLA(2) may contribute to the anti-inflammatory activity of catechol
Chem.Biol.Drug Des., 2011
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2EYW
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6Y4V
 | | Crystal structure of p38 in complex with SR68 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-23 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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4HYU
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2KXL
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2F3F
 | | Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor | | Descriptor: | (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1 | | Authors: | Rondeau, J.-M. | | Deposit date: | 2005-11-21 | | Release date: | 2006-09-05 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
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2FBB
 | | Crystal Structure Analysis of Hexagonal Lysozyme | | Descriptor: | Lysozyme C, NITRATE ION, SODIUM ION | | Authors: | Brinkmann, C, Weiss, M.S, Weckert, E. | | Deposit date: | 2005-12-09 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The structure of the hexagonal crystal form of hen egg-white lysozyme.
Acta Crystallogr.,Sect.D, 62, 2006
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2F51
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4I5M
 | | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | | Authors: | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | | Deposit date: | 2012-11-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
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2KXK
 | | Human Insulin Mutant A22Gly-B31Lys-B32Arg | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Bocian, W, Kozerski, L. | | Deposit date: | 2010-05-07 | | Release date: | 2011-06-01 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Novel recombinant insulin analogue with flexible C - terminus in B chain. NMR structure of biosynthetic engineered A22G-B31K-B32R human insulin monomer in water /acetonitrile solution.
To be Published
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2FE4
 | | The crystal structure of human neuronal Rab6B in its inactive GDP-bound form | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NITRATE ION, ... | | Authors: | Garcia-Saez, I, Tcherniuk, F, Kozielski, F. | | Deposit date: | 2005-12-15 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of human neuronal Rab6B in the active and inactive form.
Acta Crystallogr.,Sect.D, 62, 2006
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2FER
 | | P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX | | Descriptor: | Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING MN | | Authors: | von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I. | | Deposit date: | 2005-12-16 | | Release date: | 2006-03-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
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4I6H
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6YJC
 | | Crystal structure of p38alpha in complex with SR154 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-02 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74100935 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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2FA2
 | | Crystal structure of Fus3 without a peptide from Ste5 | | Descriptor: | Mitogen-activated protein kinase FUS3, THIOCYANATE ION | | Authors: | Bhattacharyya, R.P, Remenyi, A, Good, M.C, Bashor, C.J, Falick, A.M, Lim, W.A. | | Deposit date: | 2005-12-06 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The Ste5 scaffold allosterically modulates signaling output of the yeast mating pathway
Science, 311, 2006
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2KXH
 | | Solution structure of the first two RRM domains of FIR in the complex with FBP Nbox peptide | | Descriptor: | Poly(U)-binding-splicing factor PUF60, peptide of Far upstream element-binding protein 1 | | Authors: | Cukier, C.D, Ramos, A, Hollingworth, D, Diaz-Moreno, I, Kelly, G. | | Deposit date: | 2010-05-05 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Molecular basis of FIR-mediated c-myc transcriptional control.
Nat.Struct.Mol.Biol., 17, 2010
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2KXF
 | | Solution structure of the first two RRM domains of FBP-interacting repressor (FIR) | | Descriptor: | Poly(U)-binding-splicing factor PUF60 | | Authors: | Cukier, C.D, Ramos, A, Hollingworth, D, Diaz-Moreno, I, Kelly, G. | | Deposit date: | 2010-05-04 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Molecular basis of FIR-mediated c-myc transcriptional control.
Nat.Struct.Mol.Biol., 17, 2010
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6YL6
 | | Cdk2(F80C) | | Descriptor: | Cyclin-dependent kinase 2 | | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
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2KV4
 | | EGF | | Descriptor: | Epidermal growth factor | | Authors: | Huang, H.W, Mohan, S.K, Yu, C. | | Deposit date: | 2010-03-08 | | Release date: | 2011-02-23 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The NMR solution structure of human epidermal growth factor (hEGF) at physiological pH and its interactions with suramin
Biochem.Biophys.Res.Commun., 402, 2010
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4HYI
 | | X-RAY Crystal structure of compound 40 bound to human chk1 kinase domain | | Descriptor: | 2-(1H-indazol-1-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1 | | Authors: | Fischmann, T.O. | | Deposit date: | 2012-11-13 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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2EXF
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