1Y2Y
 
 | | Structural Characterization of Nop10p using Nuclear Magnetic Resonance Spectroscopy | | Descriptor: | Ribosome biogenesis protein Nop10 | | Authors: | Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M, Feigon, J. | | Deposit date: | 2004-11-23 | | Release date: | 2005-12-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA
RNA, 12, 2006
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3SZB
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3SZA
 | | Crystal structure of human ALDH3A1 - apo form | | Descriptor: | ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ... | | Authors: | Khanna, M, Hurley, T.D. | | Deposit date: | 2011-07-18 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
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5UQC
 | | Crystal structure of mouse CRMP2 | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Dihydropyrimidinase-related protein 2 | | Authors: | Khanna, M, Khanna, R, Perez-Miller, S, Francois-Moutal, L. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A single structurally conserved SUMOylation site in CRMP2 controls NaV1.7 function.
Channels (Austin), 11, 2017
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2EUY
 | | Solution structure of the internal loop of human U65 H/ACA snoRNA 3' hairpin | | Descriptor: | U65 box H/ACA snoRNA | | Authors: | Feigon, J, Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M. | | Deposit date: | 2005-10-30 | | Release date: | 2006-01-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA.
Rna, 12, 2006
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8GRT
 | | Small Dipeptide Analogues developed by Co-crystal Structure of Stenotrophomonas maltophilia Dipeptidyl Peptidase 7 | | Descriptor: | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID, Dipeptidyl-peptidase, TYROSINE | | Authors: | Yasumitsu, S, Koushi, H, Akihiro, N, Yoshiyuki, Y, Wataru, O, Mizuki, S, Saori, R, Nobutada, T, Anna, M, Keiko, H, Tsuda, Y. | | Deposit date: | 2022-09-02 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Small Dipeptide Analogues Generated by Co-crystal Structure of Bacterial Dipeptidyl Peptidase 7 to Defeat Stenotrophomonas maltophilia
To Be Published
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1ORL
 | | 1H NMR structure determination of Viscotoxin C1 | | Descriptor: | Viscotoxin C1 | | Authors: | Molinari, H, Romagnoli, S, Fogolari, F, Catalano, M, Urech, K, Giannattasio, M, Ragona, L. | | Deposit date: | 2003-03-14 | | Release date: | 2003-04-01 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of viscotoxin C1 from Viscum album species Coloratum ohwi: toward a structure-function analysis of viscotoxins.
Biochemistry, 42, 2003
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1ED0
 | | NMR structural determination of viscotoxin A3 from Viscum album L. | | Descriptor: | VISCOTOXIN A3 | | Authors: | Romagnoli, S, Ugolini, R, Fogolari, F, Schaller, G, Urech, K, Giannattasio, M, Ragona, L, Molinari, H. | | Deposit date: | 2000-01-26 | | Release date: | 2000-02-04 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | NMR structural determination of viscotoxin A3 from Viscum album L.
Biochem.J., 350, 2000
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7ZW7
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3SZ9
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4KG9
 | | Crystal Structure Of USP7-NTD with MCM-BP | | Descriptor: | Mini-chromosome maintenance complex-binding protein, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Saridakis, V, Luthra, N. | | Deposit date: | 2013-04-29 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A role for USP7 in DNA replication.
Mol.Cell.Biol., 34, 2014
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6DKD
 | | Yeast Ddi2 Cyanamide Hydratase | | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | | Authors: | Moore, S.A, Xiao, W, Li, J. | | Deposit date: | 2018-05-29 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
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6DKC
 | | Yeast Ddi2 Cyanamide Hydratase, T157V mutant, apo structure | | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | | Authors: | Moore, S.A, Xiao, W, Li, J. | | Deposit date: | 2018-05-29 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
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7AEN
 | | Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside | | Descriptor: | CHLORIDE ION, GLYCEROL, Isoform 2 of Galectin-8, ... | | Authors: | Hassan, M, Klavern, V.S, Hakansson, M, Anderluh, M, Tomasic, T, Jakopin, Z, Nilsson, J.U, Kovacic, R, Walse, B, Diehl, C. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain
Acs Med.Chem.Lett., 12, 2021
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6Z4N
 | | CRYSTAL STRUCTURE OF OASS COMPLEXED WITH UPAR INHIBITOR | | Descriptor: | (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid, COBALT (II) ION, Cysteine synthase A, ... | | Authors: | Demitri, N, Storici, P, Campanini, B. | | Deposit date: | 2020-05-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Investigational Studies on a Hit Compound Cyclopropane-Carboxylic Acid Derivative Targeting O -Acetylserine Sulfhydrylase as a Colistin Adjuvant.
Acs Infect Dis., 7, 2021
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6U63
 | | Mcl-1 bound to compound 17 | | Descriptor: | 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Stuckey, J.A. | | Deposit date: | 2019-08-29 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
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6U6F
 | | The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21 | | Descriptor: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z. | | Deposit date: | 2019-08-29 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
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6U65
 | | Mcl-1 bound to compound 19 | | Descriptor: | 1,2-ETHANEDIOL, 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, ACETATE ION, ... | | Authors: | Stuckey, J.A. | | Deposit date: | 2019-08-29 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
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6U64
 | | Mcl-1 bound to compound 17 | | Descriptor: | 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Stuckey, J.A. | | Deposit date: | 2019-08-29 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
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6U67
 | | Mcl-1 bound to compound 24 | | Descriptor: | 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid, BIPHENYL, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Stuckey, J.A. | | Deposit date: | 2019-08-29 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
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7P2V
 | | Crystal structure of Schistosoma mansoni HDAC8 in complex with a 4-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site | | Descriptor: | 5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, DI(HYDROXYETHYL)ETHER, Histone deacetylase 8, ... | | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
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7P2T
 | | Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative | | Descriptor: | 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... | | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
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7P2U
 | | Crystal structure of Schistosoma mansoni HDAC8 in complex with a 3-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site | | Descriptor: | 5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... | | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
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7P2S
 | | Crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, chlorine derivative | | Descriptor: | 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
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4LQM
 | | EGFR L858R in complex with PD168393 | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE | | Authors: | Yun, C.H, Eck, M.J. | | Deposit date: | 2013-07-19 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer.
Sci Transl Med, 5, 2013
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