2FOH
 
 | | Structure of porcine pancreatic elastase in 40% trifluoroethanol | | Descriptor: | CALCIUM ION, SULFATE ION, TRIFLUOROETHANOL, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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6HWV
 | | Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3) | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-15 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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5LGT
 | | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15 | | Descriptor: | 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | Authors: | Mattevi, A, Ciossani, G. | | Deposit date: | 2016-07-08 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
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2FOG
 | | Structure of porcine pancreatic elastase in 40% trifluoroethanol | | Descriptor: | CALCIUM ION, SULFATE ION, TRIFLUOROETHANOL, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FZ1
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2FZF
 | | Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus | | Descriptor: | hypothetical protein | | Authors: | Fu, Z.-Q, Liu, Z.-J, Lee, D, Kelley, L, Chen, L, Tempel, W, Shah, N, Horanyi, P, Lee, H.S, Habel, J, Dillard, B.D, Nguyen, D, Chang, S.-H, Zhang, H, Chang, J, Sugar, F.J, Poole, F.L, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2006-02-09 | | Release date: | 2006-02-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus
To be published
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5NQV
 | | Structure of the Arabidopsis Thaliana TOPLESS N-terminal domain | | Descriptor: | EAR motif of IAA27, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Nanao, M.H, Arevalillo, M.R, Vinos-Poyo, T, Parcy, F, Dumas, R. | | Deposit date: | 2017-04-21 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of the Arabidopsis TOPLESS corepressor provides insight into the evolution of transcriptional repression.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4A75
 | | The Lin28b Cold shock domain in complex with hexathymidine. | | Descriptor: | 5'-D(*TP*TP*TP*TP*TP*TP)-3', LIN28 COLD SHOCK DOMAIN, THIOCYANATE ION | | Authors: | Mayr, F, Schuetz, A, Doege, N, Heinemann, U. | | Deposit date: | 2011-11-11 | | Release date: | 2012-09-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Lin28 Cold-Shock Domain Remodels Pre-Let-7 Microrna.
Nucleic Acids Res., 40, 2012
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6STY
 | | Human REXO2 exonuclease in complex with RNA. | | Descriptor: | CALCIUM ION, Oligoribonuclease, mitochondrial, ... | | Authors: | Malik, D, Szewczyk, M, Szczesny, R, Nowotny, M. | | Deposit date: | 2019-09-12 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Human REXO2 controls short mitochondrial RNAs generated by mtRNA processing and decay machinery to prevent accumulation of double-stranded RNA.
Nucleic Acids Res., 48, 2020
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6T00
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6J1L
 | | Crystal Structure Analysis of the ROR gamma(C455E) | | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma | | Authors: | zhang, Y, Li, C.C, wu, X.S. | | Deposit date: | 2018-12-28 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
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3I56
 | | Co-crystal structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ... | | Authors: | Gurel, G, Blaha, G, Steitz, T.A, Moore, P.B. | | Deposit date: | 2009-07-03 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of triacetyloleandomycin and mycalamide A bind to the large ribosomal subunit of Haloarcula marismortui.
Antimicrob.Agents Chemother., 53, 2009
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2FCX
 | | HIV-1 DIS kissing-loop in complex with neamine | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, CHLORIDE ION, HIV-1 DIS RNA, ... | | Authors: | Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P. | | Deposit date: | 2005-12-13 | | Release date: | 2006-05-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell.
Nucleic Acids Res., 34, 2006
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5MME
 | | Crystal structure of CREBBP bromodomain complexd with US46C | | Descriptor: | CREB-binding protein, dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2016-12-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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2FOD
 | | Structure of porcine pancreatic elastase in 80% ethanol | | Descriptor: | CALCIUM ION, ETHANOL, SULFATE ION, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2G00
 | | Factor Xa in complex with the inhibitor 3-(6-(2'-((dimethylamino)methyl)-4-biphenylyl)-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)benzamide | | Descriptor: | 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL-4-YL}-7-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-1-YL]BENZAMIDE, Coagulation factor X | | Authors: | Alexander, R.S. | | Deposit date: | 2006-02-10 | | Release date: | 2006-10-03 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of potent, efficacious, and orally bioavailable inhibitors of blood coagulation factor Xa with neutral P1 moieties.
Bioorg.Med.Chem.Lett., 16, 2006
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6NMC
 | | CryoEM structure of the LbCas12a-crRNA-2xAcrVA1 complex | | Descriptor: | AcrVA1, Cpf1, MAGNESIUM ION, ... | | Authors: | Chang, L, Li, Z, Zhang, H. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.24 Å) | | Cite: | Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
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2FBO
 | | Crystal Structure of the Two Tandem V-type Regions of VCBP3 (v-region-containing chitin binding protein) to 1.85 A | | Descriptor: | variable region-containing chitin-binding protein 3 | | Authors: | Hernandez Prada, J.A, Haire, R.N, Jakoncic, J, Cannon, J.P, Litman, G.W, Ostrov, D.A. | | Deposit date: | 2005-12-09 | | Release date: | 2006-10-17 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Ancient evolutionary origin of diversified variable regions demonstrated by crystal structures of an immune-type receptor in amphioxus
Nat.Immunol., 7, 2006
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6W6D
 | | Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor | | Descriptor: | (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-03-16 | | Release date: | 2020-04-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6.
J.Med.Chem., 64, 2021
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2FCY
 | | HIV-1 DIS kissing-loop in complex with Neomycin | | Descriptor: | CHLORIDE ION, HIV-1 DIS RNA, NEOMYCIN, ... | | Authors: | Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P. | | Deposit date: | 2005-12-13 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell.
Nucleic Acids Res., 34, 2006
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1JHE
 | | LEXA L89P Q92W E152A K156A MUTANT | | Descriptor: | LEXA REPRESSOR | | Authors: | Luo, Y, Pfuetzner, R.A, Mosimann, S, Little, J.W, J Strynadka, N.C. | | Deposit date: | 2001-06-27 | | Release date: | 2001-09-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of LexA: a conformational switch for regulation of self-cleavage.
Cell(Cambridge,Mass.), 106, 2001
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5NRW
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6VSW
 | | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt | | Descriptor: | 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C | | Authors: | Spurlino, J, Milligan, C. | | Deposit date: | 2020-02-12 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
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5NLK
 | | Crystal structure of CREBBP bromodomain complexd with US13A | | Descriptor: | CREB-binding protein, ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-04-04 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
ACS Cent Sci, 4, 2018
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1JHC
 | | LEXA S119A C-TERMINAL TRYPTIC FRAGMENT | | Descriptor: | LEXA REPRESSOR | | Authors: | Luo, Y, Pfuetzner, R.A, Mosimann, S, Little, J.W, Strynadka, N.C.J. | | Deposit date: | 2001-06-27 | | Release date: | 2001-09-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of LexA: a conformational switch for regulation of self-cleavage.
Cell(Cambridge,Mass.), 106, 2001
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