2KVU
 
 | | Solution NMR Structure of SAP domain of MKL/myocardin-like protein 1 from H.sapiens, Northeast Structural Genomics Consortium Target Target HR4547E | | Descriptor: | MKL/myocardin-like protein 1 | | Authors: | Liu, G, Xiao, R, Janjua, J, Acton, T.B, Mao, B, Everett, J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-03-28 | | Release date: | 2010-04-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Northeast Structural Genomics Consortium Target HR4547E
To be Published
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3B7I
 | | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine phosphonic acid | | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, LEUCINE PHOSPHONIC ACID, ... | | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-10-30 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
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3B8R
 | | Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor | | Descriptor: | 1,2-ETHANEDIOL, N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A.M, Gu, Y, Zhao, H. | | Deposit date: | 2007-11-01 | | Release date: | 2008-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Evaluation of a Series of Naphthamides as Potent, Orally Active Vascular
Endothelial Growth Factor Receptor-2 Tyrosine Kinase Inhibitors
J.Med.Chem., 51, 2008
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2WIK
 | | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | | Deposit date: | 2009-05-12 | | Release date: | 2009-05-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Biochem. J., 421, 2009
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3B2R
 | | Crystal Structure of PDE5A1 catalytic domain in complex with Vardenafil | | Descriptor: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, cGMP-specific 3',5'-cyclic phosphodiesterase | | Authors: | Huanchen, W, Mengchun, Y, Howard, R, Sharron, H.F, Hengming, K. | | Deposit date: | 2007-10-19 | | Release date: | 2008-05-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil.
Mol.Pharmacol., 73, 2008
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3BEF
 | | Crystal structure of thrombin bound to the extracellular fragment of PAR1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 1, Prothrombin | | Authors: | Gandhi, P.S, Bah, A, Chen, Z, Mathews, F.S, Di Cera, E. | | Deposit date: | 2007-11-17 | | Release date: | 2008-01-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural identification of the pathway of long-range communication in an allosteric enzyme.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3B36
 | | Structure of M26L DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-19 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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2WII
 | | Complement C3b in complex with factor H domains 1-4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C3 BETA CHAIN, ... | | Authors: | Wu, J, Janssen, B.J.C, Gros, P. | | Deposit date: | 2009-05-12 | | Release date: | 2009-06-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of complement fragment C3b-factor H and implications for host protection by complement regulators.
Nat. Immunol., 10, 2009
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3BG8
 | | Crystal structure of Factor XIa in complex with Clavatadine A | | Descriptor: | BENZAMIDINE, Coagulation factor XIa light chain, N-(4-carbamimidamidobutyl)ethanamide, ... | | Authors: | Xue, Y, Oster, L. | | Deposit date: | 2007-11-26 | | Release date: | 2008-12-09 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa.
J.Med.Chem., 51, 2008
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2WK5
 | | Structural features of native human thymidine phosphorylase and in complex with 5-iodouracil | | Descriptor: | GLYCEROL, THYMIDINE PHOSPHORYLASE | | Authors: | Mitsiki, E, Papageorgiou, A.C, Iyer, S, Thiyagarajan, N, Prior, S.H, Sleep, D, Finnis, C, Acharya, K.R. | | Deposit date: | 2009-06-05 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structures of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil.
Biochem.Biophys.Res.Commun., 386, 2009
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3B4D
 | | Crystal Structure of Human PABPN1 RRM | | Descriptor: | Polyadenylate-binding protein 2 | | Authors: | Ge, H, Tong, S, Teng, M, Niu, L. | | Deposit date: | 2007-10-24 | | Release date: | 2008-01-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal structure and possible dimerization of the single RRM of human PABPN1
Proteins, 71, 2008
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3B6H
 | | Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil | | Descriptor: | 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ... | | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | | Deposit date: | 2007-10-29 | | Release date: | 2007-11-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
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2WMN
 | | Structure of the complex between DOCK9 and Cdc42-GDP. | | Descriptor: | CELL DIVISION CONTROL PROTEIN 42 HOMOLOG, DEDICATOR OF CYTOKINESIS PROTEIN 9, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Yang, J, Roe, S.M, Barford, D. | | Deposit date: | 2009-07-02 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.391 Å) | | Cite: | Activation of Rho Gtpases by Dock Exchange Factors is Mediated by a Nucleotide Sensor.
Science, 325, 2009
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3FV4
 | | Thermolysin inhibition | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Englert, L, Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2009-01-15 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin.
Biochim.Biophys.Acta, 1800, 2010
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2WQM
 | | Structure of apo human Nek7 | | Descriptor: | NICKEL (II) ION, SERINE/THREONINE-PROTEIN KINASE NEK7, SULFATE ION | | Authors: | Richards, M.W, Bayliss, R. | | Deposit date: | 2009-08-24 | | Release date: | 2009-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An Auto-Inhibitory Tyrosine Motif in the Cell-Cycle Regulated Nek7 Kinase is Released Through Binding of Nek9
Mol.Cell, 36, 2009
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3B56
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3BF6
 | | Thrombin:suramin complex | | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, PHE-PRO-ARG, Thrombin, ... | | Authors: | Lima, L.M.T.R, Polikarpov, I, Monteiro, R.Q. | | Deposit date: | 2007-11-20 | | Release date: | 2007-12-25 | | Last modified: | 2015-07-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases.
Biochim.Biophys.Acta, 1794, 2009
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2WT8
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3B35
 | | Crystal structure of the M180A mutant of the aminopeptidase from Vibrio proteolyticus | | Descriptor: | Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ... | | Authors: | Ataie, N.J, Hoang, Q.Q, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-10-19 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
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3B3K
 | | Crystal structure of the complex between PPARgamma and the full agonist LT175 | | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | | Deposit date: | 2007-10-22 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
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3B3T
 | | Crystal structure of the D118N mutant of the aminopeptidase from Vibrio proteolyticus | | Descriptor: | Bacterial leucyl aminopeptidase, ISOLEUCINE, SODIUM ION, ... | | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-10-22 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
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3B8Q
 | | Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor | | Descriptor: | N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A.M, Gu, Y, Zhao, H. | | Deposit date: | 2007-11-01 | | Release date: | 2008-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Naphthamides as Novel and Potent Vascular Endothelial Growth Factor
Receptor Tyrosine Kinase Inhibitors: Design, Synthesis and Evaluation
J.Med.Chem., 51, 2008
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3B96
 | | Structural Basis for Substrate Fatty-Acyl Chain Specificity: Crystal Structure of Human Very-Long-Chain Acyl-CoA Dehydrogenase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, TETRADECANOYL-COA, Very long-chain specific acyl-CoA dehydrogenase | | Authors: | McAndrew, R.P, Wang, Y, Mohsen, A.W, He, M, Vockley, J, Kim, J.J. | | Deposit date: | 2007-11-02 | | Release date: | 2008-02-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural basis for substrate fatty acyl chain specificity: crystal structure of human very-long-chain acyl-CoA dehydrogenase.
J.Biol.Chem., 283, 2008
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3BAU
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3BCJ
 | | Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A | | Descriptor: | (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CITRIC ACID, ... | | Authors: | Zhao, H.T, El-Kabbani, O. | | Deposit date: | 2007-11-13 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.78 Å) | | Cite: | Unusual Binding Mode of the 2S4R Stereoisomer of the Potent Aldose Reductase Cyclic Imide Inhibitor Fidarestat (2S4S) in the 15 K Crystal Structure of the Ternary Complex Refined at 0.78 A Resolution: Implications for the Inhibition Mechanism
J.Med.Chem., 51, 2008
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