2WOI
| Trypanothione reductase from Trypanosoma brucei | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ... | Authors: | Alphey, M.S, Fairlamb, A.H. | Deposit date: | 2009-07-24 | Release date: | 2010-08-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011
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4XAS
| mGluR2 ECD ligand complex | Descriptor: | (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2 | Authors: | Clawson, D.K. | Deposit date: | 2014-12-15 | Release date: | 2015-02-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
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4XC9
| Crystal Structure of apo HygX from Streptomyces hygroscopicus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, oxidase/hydroxylase | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-17 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XDZ
| Holo structure of ketol-acid reductoisomerase from Ignisphaera aggregans | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Ketol-acid reductoisomerase, ... | Authors: | Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H. | Deposit date: | 2014-12-20 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases. Biochem.J., 468, 2015
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2WTE
| The structure of the CRISPR-associated protein, Csa3, from Sulfolobus solfataricus at 1.8 angstrom resolution. | Descriptor: | CSA3, DI(HYDROXYETHYL)ETHER | Authors: | Lintner, N.G, Alsbury, D.L, Copie, V, Young, M.J, Lawrence, C.M. | Deposit date: | 2009-09-15 | Release date: | 2010-09-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of the Crispr-Associated Protein Csa3 Provides Insight Into the Regulation of the Crispr/Cas System. J.Mol.Biol., 405, 2011
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7QO6
| 26S proteasome Rpt1-RK -Ubp6-UbVS complex in the s2 state | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | Deposit date: | 2021-12-23 | Release date: | 2022-03-16 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nat Commun, 13, 2022
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7QO5
| 26S proteasome Rpt1-RK -Ubp6-UbVS complex in the si state | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | Deposit date: | 2021-12-23 | Release date: | 2022-03-16 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nat Commun, 13, 2022
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4X9R
| PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B | Descriptor: | Phosphopeptide macrocycle 3B, Serine/threonine-protein kinase PLK1 | Authors: | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | Deposit date: | 2014-12-11 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles. Biopolymers, 104, 2015
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7QGQ
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7QO3
| Structure of the 26S proteasome-Ubp6 complex in the si state (Core Particle and Lid) | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ... | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | Deposit date: | 2021-12-23 | Release date: | 2022-04-13 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nat Commun, 13, 2022
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4Y1S
| Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Conroy, P.J, Yagi, H, Whisstock, J.C, Norton, R.S. | Deposit date: | 2015-02-09 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.611 Å) | Cite: | Structural Basis for Ca2+-mediated Interaction of the Perforin C2 Domain with Lipid Membranes. J.Biol.Chem., 290, 2015
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4XDY
| Structure of NADH-preferring ketol-acid reductoisomerase from an uncultured archean | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Ketol-acid reductoisomerase, ... | Authors: | Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H. | Deposit date: | 2014-12-20 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.535 Å) | Cite: | Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases. Biochem.J., 468, 2015
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7QO4
| 26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS) | Descriptor: | 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | Deposit date: | 2021-12-23 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nat Commun, 13, 2022
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7Q6C
| complement C6 FIM1-2 bound to CP010 antibody | Descriptor: | ACETATE ION, CP010 heavy chain, CP010 light chain, ... | Authors: | Olesen, H.G, Andersen, G.R. | Deposit date: | 2021-11-06 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.29274 Å) | Cite: | Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex. J Innate Immun, 2022
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4XEH
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3EW1
| Crystal structure of rhizavidin | Descriptor: | rhizavidin | Authors: | Livnah, O, Meir, A. | Deposit date: | 2008-10-14 | Release date: | 2008-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of rhizavidin: insights into the enigmatic high-affinity interaction of an innate biotin-binding protein dimer. J.Mol.Biol., 386, 2009
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4XZH
| Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | Deposit date: | 2015-02-04 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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7QE5
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4XZL
| Crystal structure of human AKR1B10 complexed with NADP+ and JF0049 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | Deposit date: | 2015-02-04 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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3EZN
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4XZI
| Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049 | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | Deposit date: | 2015-02-04 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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3EWJ
| Crystal structure of catalytic domain of TACE with carboxylate inhibitor | Descriptor: | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Orth, P. | Deposit date: | 2008-10-15 | Release date: | 2008-11-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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4XZN
| Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | Deposit date: | 2015-02-04 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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7QLU
| Endothiapepsin apo at 100K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLT
| Endothiapepsin in complex with ligand TL00150 in 10% DMSO at 100K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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