2O8W
 
 | | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors | | Descriptor: | 1-phenylguanidine, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Zhao, G, Yuan, C, Jiang, L, Huang, Z, Huang, M. | | Deposit date: | 2006-12-12 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors
To be Published
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2O8T
 | | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q) in complex with Inhibitors | | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, SULFATE ION, ... | | Authors: | Zhao, G, Yuan, C, Jiang, L, Huang, Z, Huang, M. | | Deposit date: | 2006-12-12 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors
To be Published
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2OAW
 | | Structure of SHH variant of "Bergerac" chimera of spectrin SH3 | | Descriptor: | CHLORIDE ION, Spectrin alpha chain, brain | | Authors: | Gabdoulkhakov, A.G, Gushchina, L.V, Nikulin, A.D, Nikonov, S.V, Viguera, A.R, Serrano, L, Filimonov, V.V. | | Deposit date: | 2006-12-18 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and thermodynamic studies of Bergerac-SH3 chimeras.
Biophys.Chem., 139, 2009
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4L7F
 | | Co-crystal Structure of JNK1 and AX13587 | | Descriptor: | Mitogen-activated protein kinase 8, N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide | | Authors: | Walter, R.L, Ranieri, G.M, Riggs, A.M, Weissig, H, Li, B, Shreder, K.R. | | Deposit date: | 2013-06-13 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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2OAN
 | | Structure of oxidized beta-actin | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Schmitzberger, F, Lassing, I, Nordlund, P, Lindberg, U. | | Deposit date: | 2006-12-16 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.606 Å) | | Cite: | Molecular and Structural Basis for Redox Regulation of beta-Actin.
J.Mol.Biol., 370, 2007
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2ID7
 | | 1.75 A Structure of T87I Phosphono-CheY | | Descriptor: | Chemotaxis protein cheY | | Authors: | Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D. | | Deposit date: | 2006-09-14 | | Release date: | 2007-09-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides.
Arch.Biochem.Biophys., 479, 2008
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2J23
 | | Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family | | Descriptor: | THIOREDOXIN | | Authors: | Limacher, A, Glaser, A.G, Meier, C, Scapozza, L, Crameri, R. | | Deposit date: | 2006-08-16 | | Release date: | 2006-11-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family.
J Immunol., 178, 2007
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2IC4
 | | Solution structure of the His402 allotype of the Factor H SCR6-SCR7-SCR8 fragment | | Descriptor: | Complement factor H | | Authors: | Fernando, A.N, Furtado, P.B, Gilbert, H.E, Clark, S.J, Day, A.J, Sim, R.B, Perkins, S.J. | | Deposit date: | 2006-09-12 | | Release date: | 2007-04-10 | | Last modified: | 2024-02-21 | | Method: | SOLUTION SCATTERING | | Cite: | Associative and Structural Properties of the Region of Complement Factor H Encompassing the Tyr402His Disease-related Polymorphism and its Interactions with Heparin.
J.Mol.Biol., 368, 2007
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2IGY
 | | Achiral, Cheap and Potent Inhibitors of Plasmepsins II | | Descriptor: | N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE, Plasmepsin-2 | | Authors: | Prade, L. | | Deposit date: | 2006-09-25 | | Release date: | 2006-11-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Achiral, Cheap, and Potent Inhibitors of Plasmepsins I, II, and IV.
Chemmedchem, 1, 2006
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2OH8
 | | Myoglobin cavity mutant I28W | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Phillips Jr, G.N, Soman, J, Olson, J.S. | | Deposit date: | 2007-01-09 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ligand pathways in myoglobin: A review of trp cavity mutations.
Iubmb Life, 59, 2007
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2IIM
 | | SH3 Domain of Human Lck | | Descriptor: | CALCIUM ION, Proto-oncogene tyrosine-protein kinase LCK, TETRAETHYLENE GLYCOL, ... | | Authors: | Romir, J, Egerer-Sieber, C, Muller, Y.A. | | Deposit date: | 2006-09-28 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal structure analysis and solution studies of human Lck-SH3; zinc-induced homodimerization competes with the binding of proline-rich motifs.
J.Mol.Biol., 365, 2007
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2OHS
 | | X-ray crystal structure of beta secretase complexed with compound 6b | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | | Authors: | Patel, S. | | Deposit date: | 2007-01-10 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
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6YTA
 | | CLK1 bound with imidazopyridazine (Cpd 1) | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Dual specificity protein kinase CLK1 | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-24 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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2OHM
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6YTG
 | | CLK1 bound with beta-carboline KH-CARB13 (Cpd 3) | | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, Dual specificity protein kinase CLK1 | | Authors: | Schroeder, M, Chaikuad, A, Huber, K, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-24 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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2OJG
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6Z08
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-Nitrophenol | | Descriptor: | P-NITROPHENOL, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | 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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2J0V
 | | The crystal structure of Arabidopsis thaliana RAC7-ROP9: the first RAS superfamily GTPase from the plant kingdom | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAC-LIKE GTP-BINDING PROTEIN ARAC7 | | Authors: | Sormo, C.G, Leiros, I, Brembu, T, Winge, P, Os, V, Bones, A.M. | | Deposit date: | 2006-08-07 | | Release date: | 2006-10-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The Crystal Structure of Arabidopsis Thaliana Rac7/Rop9: The First Ras Superfamily Gtpase from the Plant Kingdom.
Phytochemistry, 67, 2006
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2IXG
 | | Crystal structure of the ATPase domain of TAP1 with ATP (S621A, G622V, D645N mutant) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, GLYCEROL | | Authors: | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | | Deposit date: | 2006-07-08 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter.
Mol.Cell, 24, 2001
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2NWD
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2NXD
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4L3L
 | | Crystal structures of human p70S6K1 kinase domain (Zinc anomalous) | | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, ZINC ION | | Authors: | Wang, J, Zhong, C, Ding, J. | | Deposit date: | 2013-06-06 | | Release date: | 2013-07-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
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4JDH
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2OHQ
 | | X-ray crystal structure of beta secretase complexed with compound 4 | | Descriptor: | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Patel, S. | | Deposit date: | 2007-01-10 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
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2OI4
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