1IFN
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2MPG
| Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Kosinova, L, Jiracek, J, Zakova, L, Veverka, V. | Deposit date: | 2014-05-17 | Release date: | 2014-06-11 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Insight into the structural and biological relevance of the T/R transition of the N-terminus of the B-chain in human insulin. Biochemistry, 53, 2014
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7LSD
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1LDG
| PLASMODIUM FALCIPARUM L-LACTATE DEHYDROGENASE COMPLEXED WITH NADH AND OXAMATE | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE, OXAMIC ACID | Authors: | Dunn, C, Banfield, M, Barker, J, Higham, C, Moreton, K, Turgut-Balik, D, Brady, L, Holbrook, J.J. | Deposit date: | 1996-09-10 | Release date: | 1997-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The structure of lactate dehydrogenase from Plasmodium falciparum reveals a new target for anti-malarial design. Nat.Struct.Biol., 3, 1996
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4F8C
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5LLI
| pVHL:EloB:EloC in complex with VH298 | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A. | Deposit date: | 2016-07-27 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Potent and selective chemical probe of hypoxic signalling downstream of HIF-alpha hydroxylation via VHL inhibition. Nat Commun, 7, 2016
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1TD7
| Interactions of a specific non-steroidal anti-inflammatory drug (NSAID) with group I phospholipase A2 (PLA2): Crystal structure of the complex formed between PLA2 and niflumic acid at 2.5 A resolution | Descriptor: | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CALCIUM ION, Phospholipase A2 isoform 3 | Authors: | Jabeen, T, Singh, N, Singh, R.K, Sharma, S, Perbandt, M, Betzel, C, Singh, T.P. | Deposit date: | 2004-05-21 | Release date: | 2004-06-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Non-steroidal anti-inflammatory drugs as potent inhibitors of phospholipase A2: structure of the complex of phospholipase A2 with niflumic acid at 2.5 Angstroms resolution. Acta Crystallogr.,Sect.D, 61, 2005
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1STF
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7Q3U
| Cryo-EM structure of TDP43 core peptide amyloid fiber | Descriptor: | TAR DNA-binding protein 43 | Authors: | Nazarov, S. | Deposit date: | 2021-10-28 | Release date: | 2023-03-22 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Seeding the aggregation of TDP-43 requires post-fibrillization proteolytic cleavage. Nat.Neurosci., 26, 2023
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6EZ6
| PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate | Authors: | Convery, M.A, Campos, S, Dalton, S.E. | Deposit date: | 2017-11-14 | Release date: | 2017-12-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition. J. Am. Chem. Soc., 140, 2018
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6ES8
| HIV capsid hexamer with IP6 ligand | Descriptor: | Gag protein, INOSITOL HEXAKISPHOSPHATE | Authors: | James, L.C. | Deposit date: | 2017-10-19 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis. Elife, 7, 2018
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4L7V
| Crystal structure of Protein L-isoaspartyl-O-methyltransferase of Vibrio cholerae | Descriptor: | ACETATE ION, CALCIUM ION, Protein-L-isoaspartate O-methyltransferase, ... | Authors: | Chatterjee, T, Mukherjee, D, Chakrabarti, P. | Deposit date: | 2013-06-14 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure and activity of protein L-isoaspartyl-O-methyltransferase from Vibrio cholerae, and the effect of AdoHcy binding. Arch.Biochem.Biophys., 583, 2015
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6EYZ
| PI3 kinase delta in complex with 4-Fluorophenyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | Descriptor: | 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Convery, M.A, Campos, S, Dalton, S.E. | Deposit date: | 2017-11-13 | Release date: | 2017-12-20 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition. J. Am. Chem. Soc., 140, 2018
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6FDG
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4XTQ
| Crystal structure of a mutant (C20S) of a near-infrared fluorescent protein BphP1-FP | Descriptor: | 3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, BphP1-FP/C20S, CHLORIDE ION | Authors: | Pletnev, S, Malashkevich, V.N. | Deposit date: | 2015-01-23 | Release date: | 2015-12-09 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Molecular Basis of Spectral Diversity in Near-Infrared Phytochrome-Based Fluorescent Proteins. Chem.Biol., 22, 2015
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3EKA
| Crystal structure of the complex of hyaluranidase trimer with ascorbic acid at 3.1 A resolution reveals the locations of three binding sites | Descriptor: | ASCORBIC ACID, Hyaluronidase, phage associated | Authors: | Mishra, P, Ethayathulla, A.S, Prem Kumar, R, Singh, N, Sharma, S, Kaur, P, Bhakuni, V, Singh, T.P. | Deposit date: | 2008-09-19 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Polysaccharide binding sites in hyaluronate lyase--crystal structures of native phage-encoded hyaluronate lyase and its complexes with ascorbic acid and lactose. Febs J., 276, 2009
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3FRB
| S. aureus F98Y DHFR complexed with TMP | Descriptor: | Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | Authors: | Oefner, C, Dale-Glenn, E. | Deposit date: | 2009-01-08 | Release date: | 2010-01-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity J.Antimicrob.Chemother., 63, 2009
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6H09
| HIV capsid hexamer with IP6 ligand | Descriptor: | Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | Authors: | James, L.C. | Deposit date: | 2018-07-06 | Release date: | 2018-08-15 | Last modified: | 2020-10-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis. Elife, 7, 2018
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4DTG
| Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Humanized recombinant FAB fragment, ... | Authors: | Svensson, L.A, Breinholt, J, Krogh, B.O, Hilden, I. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model. Blood, 119, 2012
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3FRD
| S. aureus DHFR complexed with NADPH and folate | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Oefner, C, Dale-Glenn, E. | Deposit date: | 2009-01-08 | Release date: | 2010-01-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity J.Antimicrob.Chemother., 63, 2009
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3FRA
| Staphylococcus aureus F98Y DHFR complexed with iclaprim | Descriptor: | 5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Oefner, C, Dale-Glenn, E. | Deposit date: | 2009-01-08 | Release date: | 2010-01-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity J.Antimicrob.Chemother., 63, 2009
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3FRE
| S. aureus DHFR complexed with NADPH and TMP | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | Authors: | Oefner, C, Dale-Glenn, E. | Deposit date: | 2009-01-08 | Release date: | 2010-01-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity J.Antimicrob.Chemother., 63, 2009
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6HAR
| Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | Authors: | Shahar, A, Cohen, I, Radisky, E, Papo, N. | Deposit date: | 2018-08-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin. J.Biol.Chem., 294, 2019
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3FRF
| S. aureus DHFR complexed with NADPH and iclaprim | Descriptor: | 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Oefner, C, Dale-Glenn, E. | Deposit date: | 2009-01-08 | Release date: | 2010-01-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity J.Antimicrob.Chemother., 63, 2009
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4CLB
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-295 | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | Authors: | Chung, C, Atkinson, S. | Deposit date: | 2014-01-13 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes. Medchemcomm, 5, 2014
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