7N9T
 
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2I1K
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7N3U
 | | Crystal structure of human WEE1 kinase domain in complex with ZN-c3 | | Descriptor: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase | | Authors: | Lee, C.C. | | Deposit date: | 2021-06-02 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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6Y7R
 | | Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A A56P variant (CagFbFP) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase | | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gordeliy, V, Gushchin, I. | | Deposit date: | 2020-03-02 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Effects of Proline Substitutions on the Thermostable LOV Domain from Chloroflexus aggregans
Crystals, 2020
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8UEM
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1O61
 | | Crystal structure of a PLP-dependent enzyme with PLP | | Descriptor: | ACETATE ION, PYRIDOXAL-5'-PHOSPHATE, aminotransferase | | Authors: | Structural GenomiX | | Deposit date: | 2003-10-23 | | Release date: | 2003-11-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
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8UDS
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7N4N
 | | BACE-2 in complex with ligand 36 | | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 2, N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2021-06-04 | | Release date: | 2021-10-06 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate.
J.Med.Chem., 64, 2021
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7N66
 | | BACE-1 in complex with ligand 12 | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2021-06-07 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate.
J.Med.Chem., 64, 2021
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8RRW
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8RRV
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8RS0
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1NRK
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2FH1
 | | C-terminal half of gelsolin soaked in low calcium at pH 4.5 | | Descriptor: | CALCIUM ION, Gelsolin | | Authors: | Chumnarnsilpa, S, Loonchanta, A, Xue, B, Choe, H, Urosev, D, Wang, H, Burtnick, L.D, Robinson, R.C. | | Deposit date: | 2005-12-23 | | Release date: | 2006-06-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Calcium ion exchange in crystalline gelsolin
J.Mol.Biol., 357, 2006
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1O68
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1AZB
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6YI8
 | | HUMAN FGFR4 KINASE DOMAIN (447-753) IN COMPLEX WITH ROBLITINIB | | Descriptor: | Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION | | Authors: | Ostermann, N. | | Deposit date: | 2020-04-01 | | Release date: | 2020-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4.
J.Med.Chem., 63, 2020
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1MAM
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1MTR
 | | HIV-1 PROTEASE COMPLEXED WITH A CYCLIC PHE-ILE-VAL PEPTIDOMIMETIC INHIBITOR | | Descriptor: | HIV-1 PROTEASE, SULFATE ION, [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Wickramasinghe, W, Begun, J, Martin, J.L. | | Deposit date: | 1996-02-15 | | Release date: | 1996-08-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Substrate-based cyclic peptidomimetics of Phe-Ile-Val that inhibit HIV-1 protease using a novel enzyme-binding mode.
J.Am.Chem.Soc., 118, 1996
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6Y3U
 | | Crystal structure of PPARgamma in complex with compound (R)-16 | | Descriptor: | (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Chaikuad, A, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-18 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode.
J.Med.Chem., 63, 2020
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2H9B
 | | Crystal structure of the effector binding domain of a BenM variant (BenM R156H/T157S) | | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator benM, SULFATE ION | | Authors: | Ezezika, O.C, Craven, S.H, Neidle, E.L, Momany, C. | | Deposit date: | 2006-06-09 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inducer responses of BenM, a LysR-type transcriptional regulator from Acinetobacter baylyi ADP1.
Mol.Microbiol., 72, 2009
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6Y7U
 | | Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A A95P variant (CagFbFP) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase | | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gordeliy, V, Gushchin, I. | | Deposit date: | 2020-03-02 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Effects of Proline Substitutions on the Thermostable LOV Domain from Chloroflexus aggregans
Crystals, 2020
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1MXR
 | | High resolution structure of Ribonucleotide reductase R2 from E. coli in its oxidised (Met) form | | Descriptor: | FE (III) ION, GLYCEROL, MERCURY (II) ION, ... | | Authors: | Andersson, M.A, Hogbom, M, Nordlund, P. | | Deposit date: | 2002-10-03 | | Release date: | 2003-03-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Displacement of the tyrosyl radical cofactor in ribonucleotide reductase obtained by single-crystal high-field EPR and 1.4-A x-ray data.
Proc.Natl.Acad.Sci.Usa, 100, 2003
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2HI9
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1N94
 | | Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates | | Descriptor: | 2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | | Authors: | Gwaltney II, S.L, O'Connor, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z. | | Deposit date: | 2002-11-22 | | Release date: | 2003-01-07 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
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