2DFB
| Xylanase II from Tricoderma reesei at 100K | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION, SULFATE ION | Authors: | Harata, K, Akiba, T. | Deposit date: | 2006-02-28 | Release date: | 2006-07-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Structure of an orthorhombic form of xylanase II from Trichoderma reesei and analysis of thermal displacement. ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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7AUX
| Crystal structure of OXA-48 beta-lactamase in the complex with the inhbitor ID2 | Descriptor: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Beta-lactamase, CHLORIDE ION | Authors: | Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R. | Deposit date: | 2020-11-03 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening. Pharmaceuticals, 14, 2021
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7AW5
| Crystal structure of OXA-48 beta-lactamase in the complex with the inhibitor ID3 | Descriptor: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, Beta-lactamase, CHLORIDE ION | Authors: | Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R. | Deposit date: | 2020-11-06 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening. Pharmaceuticals, 14, 2021
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8RND
| Cathepsin S in complex with NNPI-C10 inhibitor | Descriptor: | 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ... | Authors: | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | Deposit date: | 2024-01-09 | Release date: | 2024-06-05 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins. Nat.Chem.Biol., 20, 2024
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1J0E
| ACC deaminase mutant reacton intermediate | Descriptor: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Ose, T, Fujino, A, Yao, M, Honma, M, Tanaka, I. | Deposit date: | 2002-11-12 | Release date: | 2003-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Reaction intermediate structures of 1-aminocyclopropane-1-carboxylate deaminase: insight into PLP-dependent cyclopropane ring-opening reaction J.BIOL.CHEM., 278, 2003
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2RD3
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1J0A
| Crystal Structure Analysis of the ACC deaminase homologue | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, ISOPROPYL ALCOHOL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Fujino, A, Ose, T, Honma, M, Yao, M, Tanaka, I. | Deposit date: | 2002-11-12 | Release date: | 2003-05-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and enzymatic properties of 1-aminocyclopropane-1-carboxylate deaminase homologue from Pyrococcus horikoshii J.Mol.Biol., 341, 2004
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4K1N
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3M4Y
| Structural characterization of the subunit A mutant P235A of the A-ATP synthase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | Authors: | Manimekalai, M.S, Balakrishna, A.M, Kumar, A, Priya, R, Biukovic, G, Jeyakanthan, J, Gruber, G. | Deposit date: | 2010-03-12 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | The critical roles of residues P235 and F236 of subunit A of the motor protein A-ATP synthase in P-loop formation and nucleotide binding. J.Mol.Biol., 401, 2010
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6A1G
| Crystal structure of human DYRK1A in complex with compound 32 | Descriptor: | 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Baba, D, Hanzawa, H. | Deposit date: | 2018-06-07 | Release date: | 2018-10-03 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives. Bioorg. Med. Chem. Lett., 28, 2018
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6A1F
| Crystal structure of human DYRK1A in complex with compound 14 | Descriptor: | 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | Authors: | Baba, D, Hanzawa, H. | Deposit date: | 2018-06-07 | Release date: | 2018-10-03 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives. Bioorg. Med. Chem. Lett., 28, 2018
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6AEF
| PapA2 acyl transferase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Trehalose-2-sulfate acyltransferase PapA2, ... | Authors: | Chaudhary, S, Rao, V, Panchal, V. | Deposit date: | 2018-08-04 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | A novel mutation alters the stability of PapA2 resulting in the complete abrogation of sulfolipids in clinical mycobacterial strains. Faseb Bioadv, 1, 2019
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3MFY
| Structural characterization of the subunit A mutant F236A of the A-ATP synthase from Pyrococcus horikoshii | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | Authors: | Balakrishna, A.M, Kumar, A, Manimekali, M.S.S, Jeyakanthan, J, Gruber, G. | Deposit date: | 2010-04-05 | Release date: | 2010-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The critical roles of residues P235 and F236 of subunit A of the motor protein A-ATP synthase in P-loop formation and nucleotide binding. J.Mol.Biol., 401, 2010
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6P5L
| Crystal Structure of Ubl123 with an EZH2 peptide | Descriptor: | PRO-ARG-LYS-LYS-LYS-ARG-LYS-HIS, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Saridakis, V. | Deposit date: | 2019-05-30 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.296 Å) | Cite: | Structural Basis of the Interaction Between Ubiquitin Specific Protease 7 and Enhancer of Zeste Homolog 2. J.Mol.Biol., 432, 2020
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2M2Q
| Solution structure of MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia | Descriptor: | Inhibitor cystine knot peptide MCh-1 | Authors: | He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N. | Deposit date: | 2013-01-01 | Release date: | 2013-11-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Novel Inhibitor Cystine Knot Peptides from Momordica charantia. Plos One, 8, 2013
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2M2R
| Solution structure of MCh-2: A novel inhibitor cystine knot peptide from Momordica charantia | Descriptor: | Inhibitor cystine knot peptide MCh-2 | Authors: | He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N. | Deposit date: | 2013-01-01 | Release date: | 2013-11-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Novel Inhibitor Cystine Knot Peptides from Momordica charantia. Plos One, 8, 2013
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8VZN
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8VZO
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2D73
| Crystal Structure Analysis of SusB | Descriptor: | CALCIUM ION, alpha-glucosidase SusB | Authors: | Kitamura, M, Yao, M. | Deposit date: | 2005-11-15 | Release date: | 2007-02-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional analysis of a glycoside hydrolase family 97 enzyme from Bacteroides thetaiotaomicron. J.Biol.Chem., 283, 2008
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7X9Q
| Crystal structure of human STING complexed with compound BSP16 | Descriptor: | (2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid, Stimulator of interferon genes protein | Authors: | Pan, L, Guan, X, Feng, X, Li, Z, Bian, J. | Deposit date: | 2022-03-15 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Selenium-Containing STING Agonists as Orally Available Antitumor Agents. J.Med.Chem., 65, 2022
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7X9P
| Crystal structure of human STING complexed with compound BSP17 | Descriptor: | 4-[6-methoxy-5-[3-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzoselenophen-5-yl]oxy]propoxy]-1-benzoselenophen-2-yl]-4-oxidanylidene-butanoic acid, Stimulator of interferon genes protein | Authors: | Pan, L, Guan, X, Feng, X, Li, Z, Bian, J. | Deposit date: | 2022-03-15 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Selenium-containing STING agonists as orally available anti tumor agents To be published
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2ZQ0
| Crystal structure of SusB complexed with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase (Alpha-glucosidase SusB), CALCIUM ION | Authors: | Yao, M, Tanaka, I, Kitamura, M. | Deposit date: | 2008-07-31 | Release date: | 2008-10-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional analysis of a glycoside hydrolase family 97 enzyme from Bacteroides thetaiotaomicron. J.Biol.Chem., 283, 2008
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2D6Y
| Crystal Structure of transcriptional factor SCO4008 from Streptomyces coelicolor A3(2) | Descriptor: | L(+)-TARTARIC ACID, putative tetR family regulatory protein | Authors: | Hayashi, T, Tanaka, Y, Sakai, N, Yao, M, Tamura, T, Tanaka, I. | Deposit date: | 2005-11-15 | Release date: | 2006-10-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | SCO4008, a Putative TetR Transcriptional Repressor from Streptomyces coelicolor A3(2), Regulates Transcription of sco4007 by Multidrug Recognition. J.Mol.Biol., 425, 2013
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2DG6
| Crystal structure of the putative transcriptional regulator SCO5550 from Streptomyces coelicolor A3(2) | Descriptor: | putative transcriptional regulator | Authors: | Hayashi, T, Tanaka, Y, Sakai, N, Yao, M, Tamura, T, Tanaka, I. | Deposit date: | 2006-03-08 | Release date: | 2007-03-13 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and genomic DNA analysis of a putative transcription factor SCO5550 from Streptomyces coelicolor A3(2): regulating the expression of gene sco5551 as a transcriptional activator with a novel dimer shape Biochem. Biophys. Res. Commun., 435, 2013
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2E7D
| Crystal structure of a NEAT domain from Staphylococcus aureus | Descriptor: | ACETATE ION, GLYCEROL, Hypothetical protein IsdH, ... | Authors: | Suenaga, A, Tanaka, Y, Yao, M, Kumagai, I, Tanaka, I, Tsumoto, K. | Deposit date: | 2007-01-09 | Release date: | 2008-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for multimeric heme complexation through a specific protein-heme interaction: the case of the third neat domain of IsdH from Staphylococcus aureus J.Biol.Chem., 283, 2008
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