2TMG
| THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT S128R, T158E, N117R, S160E | Descriptor: | PROTEIN (GLUTAMATE DEHYDROGENASE) | Authors: | Knapp, S, Lebbink, J.H.G, van der Oost, J, de Vos, W.M, Rice, D, Ladenstein, R. | Deposit date: | 1998-12-04 | Release date: | 1999-12-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. II: construction of a 16-residue ion-pair network at the subunit interface. J.Mol.Biol., 289, 1999
|
|
7NWX
| SARS-COV2 NSP5 in the presence of Zn2+ | Descriptor: | Replicase polyprotein 1a, ZINC ION | Authors: | Calderone, V, Grifagni, D, Cantini, F, Fragai, M, Banci, L. | Deposit date: | 2021-03-17 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SARS-CoV-2 M pro inhibition by a zinc ion: structural features and hints for drug design. Chem.Commun.(Camb.), 57, 2021
|
|
2RV8
| |
5L80
| |
1OKZ
| Structure of human PDK1 kinase domain in complex with UCN-01 | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 7-HYDROXYSTAUROSPORINE, GLYCEROL, ... | Authors: | Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-08-01 | Release date: | 2004-07-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition Biochem.J., 375, 2003
|
|
2RMB
| |
1TW4
| Crystal Structure of Chicken Liver Basic Fatty Acid Binding Protein (Bile Acid Binding Protein) Complexed With Cholic Acid | Descriptor: | CHOLIC ACID, Fatty acid-binding protein | Authors: | Nichesola, D, Perduca, M, Capaldi, S, Carrizo, M.E, Righetti, P.G, Monaco, H.L. | Deposit date: | 2004-06-30 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of chicken liver basic Fatty Acid-binding protein complexed with cholic acid Biochemistry, 43, 2004
|
|
5TBE
| Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2 | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2016-09-12 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
1OKY
| Structure of human PDK1 kinase domain in complex with staurosporine | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, STAUROSPORINE, ... | Authors: | Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-08-01 | Release date: | 2004-07-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition Biochem.J., 375, 2003
|
|
1OLL
| Extracellular region of the human receptor NKp46 | Descriptor: | 1,2-ETHANEDIOL, NK RECEPTOR | Authors: | Ponassi, M, Cantoni, C, Biassoni, R, Conte, R, Spallarossa, A, Pesce, A, Moretta, A, Moretta, L, Bolognesi, M, Bordo, D. | Deposit date: | 2003-08-07 | Release date: | 2003-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure of the Human Nk Cell Triggering Receptor Nkp46 Ectodomain Biochem.Biophys.Res.Commun., 309, 2003
|
|
7NQB
| |
2UVO
| High Resolution Crystal Structure of Wheat Germ Agglutinin in Complex with N-Acetyl-D-Glucosamine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, AGGLUTININ ISOLECTIN 1, ... | Authors: | Schwefel, D, Wittmann, V, Diederichs, K, Welte, W. | Deposit date: | 2007-03-13 | Release date: | 2008-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin. J.Am.Chem.Soc., 132, 2010
|
|
7NR6
| Structure of NUDT15 in complex with NSC56456 | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione, MAGNESIUM ION, ... | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2021-03-03 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Coupling cellular target engagement to drug-induced responses with CeTEAM To Be Published
|
|
2UW4
| Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine | Descriptor: | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
|
|
1OHL
| YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE PUTATIVE CYCLIC REACTION INTERMEDIATE COMPLEX | Descriptor: | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID, BETA-MERCAPTOETHANOL, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, ... | Authors: | Erskine, P.T, Coates, L, Butler, D, Youell, J.H, Brindley, A.A, Wood, S.P, Warren, M.J, Shoolingin-Jordan, P.M, Cooper, J.B. | Deposit date: | 2003-05-27 | Release date: | 2003-06-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-Ray Structure of a Putative Reaction Intermediateof 5-Aminolaevulinic Acid Dehydratase Biochem.J., 373, 2003
|
|
2UW5
| Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | Descriptor: | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
|
|
1OKM
| CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKM INHIBITOR 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | Descriptor: | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Elbaum, D, Nair, S.K, Patchan, M.W, Thompson, R.B, Christianson, D.W. | Deposit date: | 1996-06-25 | Release date: | 1997-01-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based design of a sulfonamide probe for fluorescence anisotropy detection of zinc with a carbonic anhydrase-based biosensor. J.Am.Chem.Soc., 118, 1996
|
|
2UW7
| Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine | Descriptor: | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
|
|
1OHC
| |
1OGL
| The crystal structure of native Trypanosoma cruzi dUTPase | Descriptor: | DEOXYURIDINE TRIPHOSPHATASE | Authors: | Harkiolaki, M, Dodson, E.J, Bernier-Villamor, V, Turkenburg, J.P, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2003-05-07 | Release date: | 2004-01-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structure of Trypanosoma Cruzi Dutpase Reveals a Novel Dutp/Dudp Binding Fold Structure, 12, 2004
|
|
5L4S
| Isopiperitenone reductase from Mentha piperita in complex with NADP and beta-Cyclocitral | Descriptor: | (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, beta-cyclocitral | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2016-05-26 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
5L3G
| LSD1-CoREST1 in complex with polymyxin E (colistin) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | Deposit date: | 2016-04-10 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
|
|
5L51
| |
7O7M
| (h-alpha2M)4 native II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin, ... | Authors: | Luque, D, Goulas, T, Mata, C.P, Mendes, S.R, Gomis-Ruth, F.X, Caston, J.R. | Deposit date: | 2021-04-13 | Release date: | 2022-04-13 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Cryo-EM structures show the mechanistic basis of pan-peptidase inhibition by human alpha 2 -macroglobulin. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7O2L
| Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC) | Descriptor: | (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ... | Authors: | Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H. | Deposit date: | 2021-03-30 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria. Nat.Chem., 14, 2022
|
|