6IJL
 
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6ZAA
 | | PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide | | Descriptor: | 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | Deposit date: | 2020-06-05 | | Release date: | 2020-07-15 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
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6I8M
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1CK3
 | | N276D MUTANT OF ESCHERICHIA COLI TEM-1 BETA-LACTAMASE | | Descriptor: | BETA-LACTAMASE | | Authors: | Swaren, P, Maveyraud, L, Samama, J.P. | | Deposit date: | 1999-04-27 | | Release date: | 1999-08-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | X-ray structure of the Asn276Asp variant of the Escherichia coli TEM-1 beta-lactamase: direct observation of electrostatic modulation in resistance to inactivation by clavulanic acid.
Biochemistry, 38, 1999
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6Y6T
 | | Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 4.6 | | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Deane, J.E, McLoughlin, J. | | Deposit date: | 2020-02-27 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Bicyclic Form of galacto -Noeurostegine Is a Potent Inhibitor of beta-Galactocerebrosidase.
Acs Med.Chem.Lett., 12, 2021
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6IZM
 | | Crystal structure of the PPARgamma-LBD complexed with compound 1l | | Descriptor: | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2018-12-20 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
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6K1S
 | | Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal, DIMETHYL SULFOXIDE, ... | | Authors: | Tong, S, Lin, H. | | Deposit date: | 2019-05-12 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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1AKT
 | | G61N OXIDIZED FLAVODOXIN MUTANT | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | | Deposit date: | 1997-05-27 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants.
Biochemistry, 37, 1998
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1COL
 | | REFINED STRUCTURE OF THE PORE-FORMING DOMAIN OF COLICIN A AT 2.4 ANGSTROMS RESOLUTION | | Descriptor: | COLICIN A | | Authors: | Parker, M.W, Postma, J.P.M, Pattus, F, Tucker, A.D, Tsernoglou, D. | | Deposit date: | 1991-07-06 | | Release date: | 1992-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Refined structure of the pore-forming domain of colicin A at 2.4 A resolution.
J.Mol.Biol., 224, 1992
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6HI7
 | | The ATAD2 bromodomain in complex with compound 10 | | Descriptor: | (2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Sledz, P, Caflisch, A. | | Deposit date: | 2018-08-29 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.743 Å) | | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
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6HIC
 | | The ATAD2 bromodomain in complex with compound 15 | | Descriptor: | (2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Sledz, P, Caflisch, A. | | Deposit date: | 2018-08-29 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.768 Å) | | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
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6HCB
 | | STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.9 A RESOLUTION. | | Descriptor: | 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Laulumaa, S, Masternak, M, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2018-08-14 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
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6HGX
 | | Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl)morpholin-2-yl)methoxy)phenyl)-3-cyclohexylurea | | Descriptor: | 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | | Deposit date: | 2018-08-23 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
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1AZL
 | | G61V FLAVODOXIN MUTANT FROM DESULFOVIBRIO VULGARIS | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Walsh, M.A, Mccarthy, A, O'Farrell, P.A, Voordouw, G, Higgins, T, Mayhew, S.G. | | Deposit date: | 1997-11-18 | | Release date: | 1998-05-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants.
Biochemistry, 37, 1998
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1DXY
 | | STRUCTURE OF D-2-HYDROXYISOCAPROATE DEHYDROGENASE | | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, D-2-HYDROXYISOCAPROATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dengler, U, Niefind, K, Kiess, M, Schomburg, D. | | Deposit date: | 1996-08-13 | | Release date: | 1997-06-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of a ternary complex of D-2-hydroxyisocaproate dehydrogenase from Lactobacillus casei, NAD+ and 2-oxoisocaproate at 1.9 A resolution.
J.Mol.Biol., 267, 1997
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1EJ3
 | | CRYSTAL STRUCTURE OF AEQUORIN | | Descriptor: | AEQUORIN, C2-HYDROPEROXY-COELENTERAZINE | | Authors: | Head, J.F, Inouye, S, Teranishi, K, Shimomura, O. | | Deposit date: | 2000-02-29 | | Release date: | 2000-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of the photoprotein aequorin at 2.3 A resolution.
Nature, 405, 2000
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4HMS
 | | Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with a second FMN in the substrate binding site | | Descriptor: | FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, SULFATE ION | | Authors: | Xu, N.N, Ahuja, E.G, Blankenfeldt, W. | | Deposit date: | 2012-10-18 | | Release date: | 2013-08-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
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7PFS
 | | Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide ((1R)-1-Amino-3-phenylpropyl){2-([1,1:3,1-terphenyl]-5-ylmethyl)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)-amino]-3-oxopropyl}phosphinic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Giastas, P, Stratikos, E, Mpakali, A. | | Deposit date: | 2021-08-12 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibitor-Dependent Usage of the S1' Specificity Pocket of ER Aminopeptidase 2.
Acs Med.Chem.Lett., 13, 2022
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6VHG
 | | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | | Descriptor: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ... | | Authors: | Lee, C.C, Spraggon, G. | | Deposit date: | 2020-01-09 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020
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4HMV
 | | Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with tetrahydrophenazine-1-carboxylic acid after 5 days of soaking | | Descriptor: | (1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, ... | | Authors: | Xu, N.N, Ahuja, E.G, Blankenfeldt, W. | | Deposit date: | 2012-10-18 | | Release date: | 2013-08-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
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4HMW
 | | Crystal structure of PhzG from Burkholderia lata 383 | | Descriptor: | FLAVIN MONONUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase | | Authors: | Xu, N.N, Ahuja, E.G, Blankenfeldt, W. | | Deposit date: | 2012-10-18 | | Release date: | 2013-08-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
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4HRA
 | | Crystal Structure of DOT1L in Complex with EPZ-5676 | | Descriptor: | 5'-[{cis-3-[2-(5-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Jin, L. | | Deposit date: | 2012-10-26 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Potent inhibition of DOT1L as treatment of MLL-fusion leukemia.
Blood, 122, 2013
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6US2
 | | MTH1 in complex with compound 5 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | | Authors: | Newby, Z.E.R, Lansdon, E.B. | | Deposit date: | 2019-10-24 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.80012655 Å) | | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
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4HMT
 | | Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with hexahydrophenazine-1,6-dicarboxylic acid | | Descriptor: | (1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid, FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, ... | | Authors: | Xu, N.N, Ahuja, E.G, Blankenfeldt, W. | | Deposit date: | 2012-10-18 | | Release date: | 2013-08-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
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6US3
 | | MTH1 in complex with compound 4 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | | Authors: | Newby, Z.E.R, Lansdon, E.B. | | Deposit date: | 2019-10-24 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47028923 Å) | | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
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