1T86
 
 | | Crystal Structure of the Ferrous Cytochrome P450cam Mutant (L358P/C334A) | | Descriptor: | CAMPHOR, Cytochrome P450-cam, POTASSIUM ION, ... | | Authors: | Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L. | | Deposit date: | 2004-05-11 | | Release date: | 2004-05-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding.
J.Biol.Chem., 279, 2004
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4U7V
 | | Structure of wild-type HIV protease in complex with degraded photosensitive inhibitor | | Descriptor: | BETA-MERCAPTOETHANOL, N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease | | Authors: | Pachl, P, Rezacova, P, Schimer, J. | | Deposit date: | 2014-07-31 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor.
Nat Commun, 6, 2015
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4U1R
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7K0D
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7K0U
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7K03
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4U8Z
 | | Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) | | Descriptor: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 | | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | | Deposit date: | 2014-08-05 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
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7K1D
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_77291 | | Descriptor: | (3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Liang, W.G, Deprez, R, Bosc, D, Tang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 2
To Be Published
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7K1F
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88558 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 3,4-difluoro-N-({1-[(2R)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Liang, W.G, Deprez, R, Bosc, D, Tang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 4
To Be Published
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7K1P
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7K1E
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88646 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 3,4-difluoro-N-[(1S)-1-{1-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}ethyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Liang, W.G, Deprez, R, Bosc, D, Tang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 3
To Be Published
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1TAS
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1SY9
 | | Structure of calmodulin complexed with a fragment of the olfactory CNG channel | | Descriptor: | CALCIUM ION, CALMODULIN, Cyclic-nucleotide-gated olfactory channel | | Authors: | Contessa, G.M, Orsale, M, Melino, S, Torre, V, Paci, M, Desideri, A, Cicero, D.O. | | Deposit date: | 2004-04-01 | | Release date: | 2005-04-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of calmodulin complexed with an olfactory CNG channel fragment and role of the central linker: residual dipolar couplings to evaluate calmodulin binding modes outside the kinase family.
J.Biomol.Nmr, 31, 2005
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7K27
 | | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR inhibitor AZ20 | | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, DIMETHYL SULFOXIDE, ... | | Authors: | Karim, M.R, Schonbrunn, E. | | Deposit date: | 2020-09-08 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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7K3O
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7K6F
 | | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid) | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | | Deposit date: | 2020-09-20 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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7JTA
 | | Crystal structure of a putative nuclease with anti-Cas9 activity from an uncultured Clostridia bacterium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NITRATE ION, NTF2-like nuclease/anti-CRISPR | | Authors: | Werther, R, Forsberg, K.J, Stoddard, B.L. | | Deposit date: | 2020-08-17 | | Release date: | 2021-09-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | The novel anti-CRISPR AcrIIA22 relieves DNA torsion in target plasmids and impairs SpyCas9 activity.
Plos Biol., 19, 2021
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4U9Q
 | | Crystal structure of NqrA in spacegroup P21 | | Descriptor: | Na(+)-translocating NADH-quinone reductase subunit A | | Authors: | Fritz, G. | | Deposit date: | 2014-08-06 | | Release date: | 2014-12-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the V. cholerae Na+-pumping NADH:quinone oxidoreductase.
Nature, 516, 2014
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4UBS
 | | The crystal structure of cytochrome P450 105D7 from Streptomyces avermitilis in complex with Diclofenac | | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Xu, L.H, Ikeda, H, Arakawa, T, Wakagi, T, Shoun, H, Fushinobu, S. | | Deposit date: | 2014-08-13 | | Release date: | 2014-11-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the 4'-hydroxylation of diclofenac by a microbial cytochrome P450 monooxygenase.
Appl.Microbiol.Biotechnol., 99, 2015
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7K9N
 | | Co-crystal structure of alpha glucosidase with compound 2 | | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2020-09-29 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
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7K42
 | | Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, SULFATE ION, ... | | Authors: | Karim, M.R, Schonbrunn, E. | | Deposit date: | 2020-09-14 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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1T51
 | | Antibiotic Activity and Structural Analysis of a Scorpion-derived Antimicrobial peptide IsCT and Its Analogs | | Descriptor: | Cytotoxic linear peptide IsCT | | Authors: | Lee, K, Shin, S.Y, Kim, K, Lim, S.S, Hahm, K.S, Kim, Y. | | Deposit date: | 2004-05-01 | | Release date: | 2004-10-19 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Antibiotic activity and structural analysis of the scorpion-derived antimicrobial peptide IsCT and its analogs
Biochem.Biophys.Res.Commun., 323, 2004
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1VZ0
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7K9T
 | | Co-crystal structure of alpha glucosidase with compound 5 | | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2020-09-29 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
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7K9Q
 | | Co-crystal structure of alpha glucosidase with compound 4 | | Descriptor: | (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2020-09-29 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
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