108D
 
 | | THE SOLUTION STRUCTURE OF A DNA COMPLEX WITH THE FLUORESCENT BIS INTERCALATOR TOTO DETERMINED BY NMR SPECTROSCOPY | | Descriptor: | 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM, DNA (5'-D(*CP*GP*CP*TP*AP*GP*CP*G)-3') | | Authors: | Spielmann, H.P, Wemmer, D.E, Jacobsen, J.P. | | Deposit date: | 1995-01-31 | | Release date: | 1995-06-03 | | Last modified: | 2024-03-13 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA complex with the fluorescent bis-intercalator TOTO determined by NMR spectroscopy.
Biochemistry, 34, 1995
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2CM8
 | | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | | Descriptor: | 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-04 | | Release date: | 2006-08-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
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2CNG
 | | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | | Descriptor: | GLYCEROL, MAGNESIUM ION, N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE, ... | | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-21 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
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2R71
 | | Crystal structure of the complex of bovine C-lobe with inositol at 2.1A resolution | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Mir, R, Jain, R, Kumar, S, Sinha, M, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-09-07 | | Release date: | 2007-10-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of the complex of bovine C-lobe with inositol at 2.1A resolution
To be Published
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4G8H
 | | Crystal structure of C-lobe of bovine lactoferrin complexed with licofelone at 1.88 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-07-23 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of C-lobe of bovine lactoferrin complexed with licofelone at 1.88 A resolution
To be Published
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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: | 2023-11-08 | | 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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8EX2
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6DW2
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1I6M
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2RB1
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3M5G
 | | Crystal structure of a H7 influenza virus hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yang, H, Chen, L.M, Carney, P.J, Donis, R.O, Stevens, J. | | Deposit date: | 2010-03-12 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of receptor complexes of a North American H7N2 influenza hemagglutinin with a loop deletion in the receptor binding site.
Plos Pathog., 6, 2010
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2RBT
 | | n-methylbenzylamine in complex with Cytochrome C Peroxidase W191G | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome C Peroxidase, N-methyl-1-phenylmethanamine, ... | | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | | Deposit date: | 2007-09-19 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
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4C1N
 | | Corrinoid protein reactivation complex with activator | | Descriptor: | CARBON MONOXIDE DEHYDROGENASE CORRINOID/IRON-SULFUR PROTEIN, GAMMA SUBUNIT, CO DEHYDROGENASE/ACETYL-COA SYNTHASE, ... | | Authors: | Hennig, S.E, Goetzl, S, Jeoung, J.H, Bommer, M, Lendzian, F, Hildebrandt, P, Dobbek, H. | | Deposit date: | 2013-08-13 | | Release date: | 2014-08-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | ATP-Induced Electron Transfer by Redox-Selective Partner Recognition
Nat.Commun., 5, 2014
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2RD4
 | | Design of specific inhibitors of Phospholipase A2: Crystal structure of the complex of phospholipase A2 with pentapeptide Leu-Val-Phe-Phe-Ala at 2.9 A resolution | | Descriptor: | CALCIUM ION, Phospholipase A2 isoform 1, Phospholipase A2 isoform 2, ... | | Authors: | Mirza, Z, Kaur, A, Singh, N, Sinha, M, Sharma, S, Srinivasan, A, Kaur, P, Singh, T.P. | | Deposit date: | 2007-09-21 | | Release date: | 2007-10-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Design of specific inhibitors of Phospholipase A2: Crystal structure of the complex of phospholipase A2 with pentapeptide Leu-Val-Phe-Phe-Ala at 2.9 A resolution
To be Published
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2RAY
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1WL1
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima H74A mutant | | Descriptor: | octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-06-18 | | Release date: | 2005-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase
To be Published
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7D6N
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8BW9
 | | Cryo-EM structure of the RAF activating complex KSR-MEK-CNK-HYP | | Descriptor: | Connector enhancer of KSR protein CNK, Dual specificity mitogen-activated protein kinase kinase dSOR1, KSR, ... | | Authors: | Maisonneuve, P, Fronzes, R, Sicheri, F. | | Deposit date: | 2022-12-06 | | Release date: | 2024-02-21 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | The CNK-HYP scaffolding complex promotes RAF activation by enhancing KSR-MEK interaction.
Nat.Struct.Mol.Biol., 31, 2024
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5OPU
 | | Structure of CHK1 10-pt. mutant complex with pyrrolopyridine LRRK2 inhibitor | | Descriptor: | 6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-10 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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5AZI
 | | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with 4NP | | Descriptor: | 4-NITROPHENYL PHOSPHATE, GLYCEROL, Glycerol kinase | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tokuoka, S.M, Tokumasu, F, Sakamoto, K, Michels, P.A.M, Harada, S, Kita, K. | | Deposit date: | 2015-10-08 | | Release date: | 2016-10-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Glycerol kinase of African trypanosomes possesses an intrinsic phosphatase activity.
Biochim Biophys Acta Gen Subj, 1861, 2017
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2LVL
 | | NMR Structure the lantibiotic immunity protein SpaI | | Descriptor: | SpaI | | Authors: | Christ, N, Bochmann, S, Gottstein, D, Duchardt-Ferner, E, Hellmich, U.A, Duesterhus, S, Koetter, P, Guentert, P, Entian, K, Woehnert, J. | | Deposit date: | 2012-07-06 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The First Structure of a Lantibiotic Immunity Protein, SpaI from Bacillus subtilis, Reveals a Novel Fold.
J.Biol.Chem., 287, 2012
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8BVX
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5B0M
 | | Structure of MoeN5-Sso7d fusion protein in complex with beta-dodecyl maltoside | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, MoeN5,DNA-binding protein 7d | | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | | Deposit date: | 2015-11-02 | | Release date: | 2016-03-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
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2IVO
 | | Structure of UP1 protein | | Descriptor: | TUNGSTATE(VI)ION, UP1 | | Authors: | Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P. | | Deposit date: | 2006-06-14 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
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1SJ0
 | | Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D | | Descriptor: | (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL, Estrogen receptor | | Authors: | Kim, S, Wu, J.Y, Birzin, E.T, Chan, W, Pai, L.Y, Yang, Y.T, Mosley, R.T, Fitzgerald, P.M, Sharma, N, DiNinno, F, Rohrer, S.P, Schaeffer, J.M, Hammond, M.L. | | Deposit date: | 2004-03-02 | | Release date: | 2004-04-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Estrogen Receptor Ligands. II. Discovery of Benzoxathiins as Potent, Selective Estrogen Receptor alpha Modulators.
J.Med.Chem., 47, 2004
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