4G77
 
 | | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with tolfenamic acid at 1.98 A Resolution | | Descriptor: | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-07-20 | | Release date: | 2012-08-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with tolfenamic acid at 1.98 A Resolution
To be Published
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5SHR
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(c(nc(n1)c2ccccc2)N(C)Cc4nn3c(cnc(c3n4)C)C)C, micromolar IC50=1.47052 | | Descriptor: | MAGNESIUM ION, N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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1IS4
 | | LACTOSE-LIGANDED CONGERIN II | | Descriptor: | CONGERIN II, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Shirai, T, Matsui, Y, Shionyu-Mitsuyama, C, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K. | | Deposit date: | 2001-11-12 | | Release date: | 2002-09-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of a Conger Eel Galectin (Congerin II) at 1.45 A Resolution: Implication for the Accelerated Evolution of a New Ligand-Binding Site Following Gene Duplication
J.Mol.Biol., 321, 2002
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4K9Y
 | | FOCAL ADHESION KINASE Catalytic domain in complex with 1-[4-(6-Amino-purin-9-yl)-phenyl]-3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-urea | | Descriptor: | 1-[4-(6-amino-9H-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Focal adhesion kinase 1 | | Authors: | Musil, D, Graedler, U, Lehmann, M, Heinrich, T, Dresing, V. | | Deposit date: | 2013-04-21 | | Release date: | 2013-09-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-based discovery of focal adhesion kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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3RNQ
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2AAQ
 | | Crystal Structure Analysis of the human Glutahione Reductase, complexed with GoPI | | Descriptor: | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Urig, S, Fritz-Wolf, K, Reau, R, Herold-Mende, C, Toth, K, Davioud-Charvet, E, Becker, K. | | Deposit date: | 2005-07-14 | | Release date: | 2006-04-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Undressing of Phosphine Gold(I) Complexes as Irreversible Inhibitors of Human Disulfide Reductases.
Angew.Chem.Int.Ed.Engl., 45, 2006
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2KI4
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2P6X
 | | Crystal structure of human tyrosine phosphatase PTPN22 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 22 | | Authors: | Ugochukwu, E, Salah, E, Barr, A, Shrestha, L, Alfano, I, Burgess-Brown, N, King, O, Umeano, C, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Turnbull, A, Uppenberg, J, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-19 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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1IS3
 | | LACTOSE AND MES-LIGANDED CONGERIN II | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CONGERIN II, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Shirai, T, Matsui, Y, Shionyu-Mitsuyama, C, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K. | | Deposit date: | 2001-11-12 | | Release date: | 2002-09-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of a conger eel galectin (congerin II) at 1.45 A resolution: Implication for the accelerated evolution of a new ligand-binding site following gene duplication
J.MOL.BIOL., 321, 2002
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2PCP
 | | ANTIBODY FAB COMPLEXED WITH PHENCYCLIDINE | | Descriptor: | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE, IMMUNOGLOBULIN | | Authors: | Lim, K, Owens, S.M, Arnold, L, Sacchettini, J.C, Linthicum, D.S. | | Deposit date: | 1998-06-02 | | Release date: | 1999-01-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of monoclonal 6B5 Fab complexed with phencyclidine.
J.Biol.Chem., 273, 1998
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1VP7
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2OYF
 | | Crystal Structure of the complex of phospholipase A2 with indole acetic acid at 1.2 A resolution | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, ACETIC ACID, Phospholipase A2 VRV-PL-VIIIa, ... | | Authors: | Kumar, S, Hariprasad, G, Singh, N, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P. | | Deposit date: | 2007-02-22 | | Release date: | 2007-03-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structure of the complex of phospholipase A2 with indole acetic acid at 1.2 A resolution
To be Published
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3VTG
 | | High choriolytic enzyme 1 (HCE-1), a hatching enzyme zinc-protease from Oryzias latipes (Medaka fish) | | Descriptor: | High choriolytic enzyme 1, ZINC ION | | Authors: | Kudo, N, Yasumasu, S, Iuchi, I, Tanokura, M. | | Deposit date: | 2012-05-30 | | Release date: | 2013-06-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal Structure of High choriolytic enzyme 1 (HCE-1), a hatching enzyme from Oryzias latipes (Medaka fish)
To be Published
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3R77
 | | Crystal structure of the D38A mutant of isochorismatase PhzD from Pseudomonas fluorescens 2-79 in complex with 2-amino-2-desoxyisochorismate ADIC | | Descriptor: | (5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid, CHLORIDE ION, Probable isochorismatase | | Authors: | Li, Q.A, Mavrodi, D.V, Thomashow, L.S, Roessle, M, Blankenfeldt, W. | | Deposit date: | 2011-03-22 | | Release date: | 2011-03-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ligand Binding Induces an Ammonia Channel in 2-Amino-2-desoxyisochorismate (ADIC) Synthase PhzE.
J.Biol.Chem., 286, 2011
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4K42
 | | Crystal structure of actin in complex with synthetic AplC tail analogue SF01 [(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate] | | Descriptor: | (3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | Authors: | Pereira, J.H, Petchprayoon, C, Moriarty, N.W, Fink, S.J, Cecere, G, Paterson, I, Adams, P.D, Marriott, G. | | Deposit date: | 2013-04-11 | | Release date: | 2014-10-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and biochemical studies of actin in complex with synthetic macrolide tail analogues.
Chemmedchem, 9, 2014
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2DPZ
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1VRA
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4KD1
 | | CDK2 in complex with Dinaciclib | | Descriptor: | 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2 | | Authors: | Martin, M.P, Schonbrunn, E. | | Deposit date: | 2013-04-24 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cyclin-dependent kinase inhibitor dinaciclib interacts with the acetyl-lysine recognition site of bromodomains.
Acs Chem.Biol., 8, 2013
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2CXE
 | | Crystal structure of octameric ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Pyrococcus horikoshii OT3 (form-2 crystal) | | Descriptor: | Ribulose bisphosphate carboxylase | | Authors: | Mizohata, E, Mishima, C, Akasaka, R, Uda, H, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-06-28 | | Release date: | 2005-12-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of octameric ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Pyrococcus horikoshii OT3 (form-2 crystal)
To be Published
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1E66
 | | STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-HUPRINE X AT 2.1A RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE, ACETYLCHOLINESTERASE | | Authors: | Dvir, H, Harel, M, Silman, I, Sussman, J.L. | | Deposit date: | 2000-08-08 | | Release date: | 2001-08-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 3D Structure of Torpedo Californica Acetylcholinesterase Complexed with Huprine X at 2. 1 A Resolution: Kinetic and Molecular Dynamic Correlates.
Biochemistry, 41, 2002
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1IN2
 | | Peptide Antagonist of IGFBP1, (i,i+7) Covalently Restrained Analog | | Descriptor: | IGFBP-1 antagonist, PENTANE | | Authors: | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | | Deposit date: | 2001-05-11 | | Release date: | 2001-05-30 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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1ETT
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1VPM
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2CR9
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2F7O
 | | Golgi alpha-mannosidase II complex with mannostatin A | | Descriptor: | (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Rose, D.R. | | Deposit date: | 2005-12-01 | | Release date: | 2006-07-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural Basis of the Inhibition of Golgi alpha-Mannosidase II by Mannostatin A and the Role of the Thiomethyl Moiety in Ligand-Protein Interactions.
J.Am.Chem.Soc., 128, 2006
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