1U7P
| X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily | Descriptor: | MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1 | Authors: | Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2004-08-04 | Release date: | 2004-10-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray Crystal Structure of the Hypothetical Phosphotyrosine
Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily Biochemistry, 43, 2004
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5WBG
| Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz | Descriptor: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... | Authors: | Shah, M.B, Halpert, J.R. | Deposit date: | 2017-06-29 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog. Int J Mol Sci, 19, 2018
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6T2D
| Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | Descriptor: | 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. | Deposit date: | 2019-10-08 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 59, 2020
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6T7Z
| KEAP1 IN COMPLEX WITH COMPOUND 44 | Descriptor: | ACE-CYS-ASA-4FB-GLU-THR-GLY-GLU-CYS-NH2, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Colarusso, S. | Deposit date: | 2019-10-23 | Release date: | 2020-09-09 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction. Bioorg.Med.Chem., 28, 2020
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2OSF
| Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | Descriptor: | 4-MERCAPTOBENZENE-1,3-DIOL, Carbonic anhydrase 2, S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate, ... | Authors: | Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Tripp, B.C. | Deposit date: | 2007-02-05 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibition of carbonic anhydrase II by thioxolone: a mechanistic and structural study. Biochemistry, 47, 2008
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5LXS
| Tubulin-KS-1-199-32 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Steinmetz, M.O. | Deposit date: | 2016-09-22 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis of Microtubule Stabilization by Discodermolide. Chembiochem, 18, 2017
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1LNC
| A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ... | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | Deposit date: | 1994-05-13 | Release date: | 1995-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin. Protein Sci., 4, 1995
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5LVX
| Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | Descriptor: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D. | Deposit date: | 2016-09-14 | Release date: | 2017-10-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site. J. Am. Chem. Soc., 140, 2018
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1LNA
| A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | Descriptor: | CALCIUM ION, COBALT (II) ION, DIMETHYL SULFOXIDE, ... | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | Deposit date: | 1994-05-13 | Release date: | 1995-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin. Protein Sci., 4, 1995
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2LGK
| NMR Structure of UHRF1 PHD domains in a complex with histone H3 peptide | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide | Authors: | Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C. | Deposit date: | 2011-07-28 | Release date: | 2011-09-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger. Cell Res., 21, 2011
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5M4G
| Crystal Structure of Wild-Type Human Prolidase with Mn ions | Descriptor: | GLYCEROL, HYDROXIDE ION, MANGANESE (II) ION, ... | Authors: | Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H. | Deposit date: | 2016-10-18 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Substrate specificity and reaction mechanism of human prolidase. FEBS J., 284, 2017
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1YYT
| D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-azabisabolene | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | Deposit date: | 2005-02-25 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry, 44, 2005
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2PAA
| Crystal structure of phosphoglycerate kinase-2 bound to atp and 3pg | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Phosphoglycerate kinase, ... | Authors: | Sawyer, G.M, Monzingo, A.F, Poteet, E.C, Robertus, J.D. | Deposit date: | 2007-03-27 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray analysis of phosphoglycerate kinase 2, a sperm-specific isoform from Mus musculus. Proteins, 71, 2007
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5LUE
| Minor form of the recombinant cytotoxin-1 from N. oxiana | Descriptor: | VC-1=CYTOTOXIN | Authors: | Dubovskii, P.V, Dubinnyi, M.A, Shulepko, M.A, Lyukmanova, E.N, Dolgikh, D.A, Kirpichnikov, M.P, Efremov, R.G. | Deposit date: | 2016-09-08 | Release date: | 2017-09-20 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Structural and Dynamic "Portraits" of Recombinant and Native Cytotoxin I from Naja oxiana: How Close Are They? Biochemistry, 56, 2017
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1LDL
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6T7V
| KEAP1 IN COMPLEX WITH PEPTIDE 8 | Descriptor: | ACETATE ION, Kelch-like ECH-associated protein 1, LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU | Authors: | Colarusso, S. | Deposit date: | 2019-10-23 | Release date: | 2020-09-09 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction. Bioorg.Med.Chem., 28, 2020
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5WHH
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5LVS
| Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries | Descriptor: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Jewginski, M, LANGLOIS D'ESTAINTOT, B, Granier, T, Huc, Y. | Deposit date: | 2016-09-14 | Release date: | 2017-03-08 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc., 139, 2017
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8SZ6
| PmHMGR bound to mevaldehyde and CoA | Descriptor: | (3R)-3,5,5-trihydroxy-3-methylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, Mevaldyl-Coenzyme A, ... | Authors: | Purohit, V, Stauffacher, C.V, Steussy, C.N. | Deposit date: | 2023-05-27 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography. Biophys.J., 123, 2024
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3BIH
| Crystal structure of fructose-1,6-bisphosphatase from E.coli GlpX | Descriptor: | Fructose-1,6-bisphosphatase class II glpX, UNKNOWN ATOM OR ION | Authors: | Lunin, V.V, Skarina, T, Brown, G, Yakunin, A.F, Edwards, A.M, Savchenko, A. | Deposit date: | 2007-11-30 | Release date: | 2008-12-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Biochemical Characterization of the Type II Fructose-1,6-bisphosphatase GlpX from Escherichia coli. J.Biol.Chem., 284, 2009
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1UFQ
| Crystal structure of ligand-free human uridine-cytidine kinase 2 | Descriptor: | Uridine-cytidine kinase 2 | Authors: | Suzuki, N.N, Koizumi, K, Fukushima, M, Matsuda, A, Inagaki, F. | Deposit date: | 2003-06-06 | Release date: | 2004-05-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the specificity, catalysis, and regulation of human uridine-cytidine kinase STRUCTURE, 12, 2004
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1I9N
| CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
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1I9M
| CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W. | Deposit date: | 2001-03-20 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. J.Am.Chem.Soc., 123, 2001
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2LGG
| Structure of PHD domain of UHRF1 in complex with H3 peptide | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide | Authors: | Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C. | Deposit date: | 2011-07-26 | Release date: | 2011-09-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger. Cell Res., 21, 2011
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8IOI
| Crystal Structure of PadR- family transcriptional regulator Rv1176c from Mycobacterium tuberculosis H37Rv. | Descriptor: | CHLORIDE ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Yadav, V, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | Deposit date: | 2023-03-11 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structural and biophysical characterization of PadR family protein Rv1176c of Mycobacterium tuberculosis H37Rv. Int.J.Biol.Macromol., 263, 2024
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