Author results

6P3P
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CRYSTAL STRUCTURE OF MCL-1 IN COMPLEX WITH COMPOUND 65
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
Authors:Toms, A.V., Follows, B.
Deposit date:2019-05-24
Release date:2019-07-03
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
6P25
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STRUCTURE OF S. CEREVISIAE PROTEIN O-MANNOSYLTRANSFERASE PMT1-PMT2 COMPLEX BOUND TO THE SUGAR DONOR AND A PEPTIDE ACCEPTOR
Descriptor:Dolichyl-phosphate-mannose--protein mannosyltransferase 1, Dolichyl-phosphate-mannose--protein mannosyltransferase 2, acceptor peptide, ...
Authors:Bai, L., Li, H.
Deposit date:2019-05-21
Release date:2019-07-10
Last modified:2019-08-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the eukaryotic protein O-mannosyltransferase Pmt1-Pmt2 complex.
Nat.Struct.Mol.Biol., 26, 2019
6P28
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CRYSTAL STRUCTURE OF THE MIR DOMAIN (AA 337-532) OF THE S. CEREVISIAE MANNOSYLTRANSFERASE PMT2
Descriptor:Dolichyl-phosphate-mannose--protein mannosyltransferase 2
Authors:Bai, L., Li, H.
Deposit date:2019-05-21
Release date:2019-07-10
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of the eukaryotic protein O-mannosyltransferase Pmt1-Pmt2 complex.
Nat.Struct.Mol.Biol., 26, 2019
6P2R
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STRUCTURE OF S. CEREVISIAE PROTEIN O-MANNOSYLTRANSFERASE PMT1-PMT2 COMPLEX BOUND TO THE SUGAR DONOR
Descriptor:Dolichyl-phosphate-mannose--protein mannosyltransferase 1, Dolichyl-phosphate-mannose--protein mannosyltransferase 2, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Bai, L., Li, H.
Deposit date:2019-05-21
Release date:2019-07-10
Last modified:2019-08-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the eukaryotic protein O-mannosyltransferase Pmt1-Pmt2 complex.
Nat.Struct.Mol.Biol., 26, 2019
6JCN
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YEAST DEHYDRODOLICHYL DIPHOSPHATE SYNTHASE COMPLEX SUBUNIT NUS1
Descriptor:Dehydrodolichyl diphosphate synthase complex subunit NUS1, SULFATE ION
Authors:Ko, T.-P., Ma, J., Liu, W., Chen, C.-C., Guo, R.-T.
Deposit date:2019-01-29
Release date:2019-06-19
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural insights to heterodimeric cis-prenyltransferases through yeast dehydrodolichyl diphosphate synthase subunit Nus1.
Biochem.Biophys.Res.Commun., 515, 2019
6J8L
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PHYTOPHTHORA SOJAE EFFECTOR PSAVH240 INHIBITS A HOST ASPARTIC PROTEASE SECRETION TO PROMOTE INFECTION
Descriptor:Avh240, SULFATE ION
Authors:Guo, B.
Deposit date:2019-01-19
Release date:2019-02-06
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Phytophthora sojae Effector PsAvh240 Inhibits Host Aspartic Protease Secretion to Promote Infection.
Mol Plant, 12, 2019
6NPU
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD29), N-(1-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YL)ACETAMIDE
Descriptor:Tyrosine-protein kinase ABL1, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide, ...
Authors:Campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPV
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD51), N-(1-(3,4-DICHLOROPHENYL)-4-(2-HYDROXYETHYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YL)ISONICOTINAMIDE
Descriptor:Tyrosine-protein kinase ABL1, SULFATE ION, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ...
Authors:campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPE
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD6), 2-CYANO-N-(4-(3,4-DICHLOROPHENYL)THIAZOL-2-YL)ACETAMIDE
Descriptor:Tyrosine-protein kinase ABL1, SULFATE ION, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ...
Authors:campobasso, N.
Deposit date:2019-01-17
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6J69
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STRUCTURE OF KIBRA AND DENDRIN COMPLEX
Descriptor:Protein KIBRA, Peptide from Dendrin
Authors:Lin, Z., Yang, Z., Ji, Z., Zhang, M.
Deposit date:2019-01-14
Release date:2019-03-20
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:Kibra Modulates Learning and Memory via Binding to Dendrin.
Cell Rep, 26, 2019
6NNA
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HUMAN FATTY ACID SYNTHASE PSI/KR TRI-DOMAIN WITH NADPH AND COMPOUND 22
Descriptor:Fatty acid synthase,Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone, ...
Authors:Toms, A.V., Martin, M.W.
Deposit date:2019-01-14
Release date:2019-02-20
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN).
Bioorg. Med. Chem. Lett., 29, 2019
6J3O
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CRYSTAL STRUCTURE OF THE HUMAN PCAF BROMODOMAIN IN COMPLEX WITH COMPOUND 12
Descriptor:Histone acetyltransferase KAT2B, 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
Authors:Huang, L.Y., Li, H., Li, L.L., Niu, L., Seupel, R., Wu, C.Y., Li, G.B., Yu, Y.M., Brennan, P.E., Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
6J3P
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CRYSTAL STRUCTURE OF THE HUMAN GCN5 BROMODOMAIN IN COMPLEX WITH COMPOUND (R,R)-36N
Descriptor:Histone acetyltransferase KAT2A, 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Authors:Huang, L.Y., Li, H., Niu, L., Wu, C.Y., Yu, Y.M., Li, L.L., Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
6NJC
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CRYSTAL STRUCTURE OF THE SIALATE O-ACETYLESTERASE FROM BACTEROIDES VULGATUS
Descriptor:Sialate O-acetylesterase, GLYCEROL, ACETIC ACID, ...
Authors:Kim, Y., Li, H., Biglow, L., Jedrzejczak, R., Babnigg, G., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Deposit date:2019-01-03
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Sialate O-acetylesterase from Bacteroides vulgatus
To Be Published
6J0Z
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CRYSTAL STRUCTURE OF ALPK
Descriptor:Putative angucycline-like polyketide oxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Wang, W., Liu, Y., Liang, H.
Deposit date:2018-12-27
Release date:2019-03-06
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:Crystal structure of AlpK: An essential monooxygenase involved in the biosynthesis of kinamycin
Biochem. Biophys. Res. Commun., 510, 2019
6NG1
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-FLUORO-5-(3-(METHYLAMINO)PROP-1-YN-1-YL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NG2
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-(3-(DIMETHYLAMINO)PROP-1-YN-1-YL)-5-FLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NG4
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH (R)-6-(3-FLUORO-5-(2-(PYRROLIDIN-2-YL)ETHYL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NG5
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH (R)-6-(3-FLUORO-5-(2-(1-METHYLPYRROLIDIN-2-YL)ETHYL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NG6
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH (S)-6-(3-FLUORO-5-(2-(PYRROLIDIN-2-YL)ETHYL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NG7
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-FLUORO-5-(2-((2R,4S)-4-FLUORO-1-METHYLPYRROLIDIN-2-YL)ETHYL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NG8
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(5-(3-(DIMETHYLAMINO)PROPYL)-2,3-DIFLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NGA
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-(3-(DIMETHYLAMINO)PROPYL)-2,6-DIFLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NGB
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-(3-(DIMETHYLAMINO)PROPYL)-2,5-DIFLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NGC
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-(3-(DIMETHYLAMINO)PROPYL)-2,5,6-TRIFLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019