Author results

5P9F
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BTK IN COMPLEX WITH GDC-0834
Descriptor:Tyrosine-protein kinase BTK, N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, 1,2-ETHANEDIOL, ...
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9G
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STRUCTURE OF BTK WITH RN486
Descriptor:Tyrosine-protein kinase BTK, 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9H
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BTK1 COCRYSTALLIZED WITH RN983
Descriptor:Tyrosine-protein kinase BTK, 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9I
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BTK1 SOAKED WITH IBRUTINIB-REV
Descriptor:Tyrosine-protein kinase BTK, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9J
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BTK1 COCRYSTALLIZED WITH IBRUTINIB
Descriptor:Tyrosine-protein kinase BTK, 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9K
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CRYSTAL STRUCTURE OF BTK WITH CNX 774
Descriptor:Tyrosine-protein kinase BTK, 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9L
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BTK1 IN COMPLEX WITH CC 292
Descriptor:Tyrosine-protein kinase BTK, ~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9M
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BTK1 BINDS COVALENTLY TO HY-15771 ONO-4059
Descriptor:Tyrosine-protein kinase BTK, 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one, DIMETHYL SULFOXIDE
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5JMA
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CRYSTAL STRUCTURE OF MYCOBACTERIUM AVIUM SERB2 IN COMPLEX WITH SERINE AT CATALYTIC (PSP) DOMAIN
Descriptor:Phosphoserine phosphatase, SERINE, MAGNESIUM ION, ...
Authors:Shree, S., Dubey, S., Agrawal, A., Ramachandran, R.
Deposit date:2016-04-28
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of Mycobacterium avium SerB2 in complex with serine at catalytic (PSP) domain
To be published
5JLP
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CRYSTAL STRUCTURE OF MYCOBACTERIUM AVIUM SERB2 IN COMPLEX WITH SERINE AT ACT DOMAIN
Descriptor:Phosphoserine phosphatase, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Shree, S., Ramachandran, R.
Deposit date:2016-04-27
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Crystal structure of Mycobacterium avium SerB2 in complex with serine at ACT domain
To be published
5JLR
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CRYSTAL STRUCTURE OF MYCOBACTERIUM AVIUM SERB2 WITH SERINE PRESENT AT SLIGHTLY DIFFERENT POSITION NEAR ACT DOMAIN
Descriptor:Phosphoserine phosphatase, MAGNESIUM ION, 1,2-ETHANEDIOL, ...
Authors:Shree, S., Agrawal, A., Dubey, S., Ramachandran, R.
Deposit date:2016-04-27
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.261 Å)
Cite:Crystal structure of Mycobacterium avium SerB2 with serine present at slightly different position near ACT domain
To be published
5JJB
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CRYSTAL STRUCTURE OF MYCOBACTERIUM AVIUM SERB2 MUTANT D343G
Descriptor:Phosphoserine phosphatase, MAGNESIUM ION, 1,2-ETHANEDIOL
Authors:Shree, S., Dubey, S., Ramachandran, R.
Deposit date:2016-04-23
Release date:2016-05-18
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Crystal Structure of Mycobacterium avium SerB2 (MAV_3907) at pH 6.6
To be published
5IT0
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CRYSTAL STRUCTURE OF MYCOBACTERIUM AVIUM SERB2 MUTANT D343N/D347N
Descriptor:Phosphoserine phosphatase, MAGNESIUM ION
Authors:Shree, S., Ramachandran, R.
Deposit date:2016-03-16
Release date:2016-04-27
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Crystal Structure of Mycobacterium avium SerB2 (MAV_3907) active site mutant D343N/D347N
To be published
5IT4
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CRYSTAL STRUCTURE OF MYCOBACTERIUM AVIUM SERB2 MUTANT D343N
Descriptor:Phosphoserine phosphatase, MAGNESIUM ION
Authors:Shree, S., Ramachandran, R.
Deposit date:2016-03-16
Release date:2016-04-27
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Crystal Structure of Mycobacterium avium SerB2 mutant D343N (MAV_3907) at pH 6.6
To be published
5IS2
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CRYSTAL STRUCTURE OF MYCOBACTERIUM AVIUM SERB2 AT PH 6.6
Descriptor:Phosphoserine phosphatase, MAGNESIUM ION
Authors:Shree, S., Ramachandran, R.
Deposit date:2016-03-15
Release date:2016-04-27
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Crystal Structure of Mycobacterium avium SerB2 (MAV_3907) at pH 6.6
To be published
5EJ2
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CRYSTAL STRUCTURE OF CARVEOL DEHYDROGENASE FROM MYCOBACTERIUM AVIUM IN COMPLEX WITH NAD
Descriptor:Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-10-31
Release date:2015-12-02
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
4RGB
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CRYSTAL STRUCTURE OF A PUTATIVE CARVEOL DEHYDROGENASE FROM MYCOBACTERIUM AVIUM BOUND TO NAD
Descriptor:Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-09-29
Release date:2014-10-15
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
4PJT
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STRUCTURE OF PARP1 CATALYTIC DOMAIN BOUND TO INHIBITOR BMN 673
Descriptor:Poly [ADP-ribose] polymerase 1, SULFATE ION, (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, ...
Authors:Aoyagi-Scharber, M., Gardberg, A.S., Arakaki, T.L.
Deposit date:2014-05-12
Release date:2014-09-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Acta Crystallogr.,Sect.F, 70, 2014
4PJV
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STRUCTURE OF PARP2 CATALYTIC DOMAIN BOUND TO INHIBITOR BMN 673
Descriptor:Poly [ADP-ribose] polymerase 2, (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, GLYCEROL
Authors:Aoyagi-Scharber, M., Gardberg, A.S., Edwards, T.L.
Deposit date:2014-05-12
Release date:2014-09-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Acta Crystallogr.,Sect.F, 70, 2014
4O2D
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CRYSTAL STRUCTURE OF ASPARTYL-TRNA SYNTHETASE FROM MYCOBACTERIUM SMEGMATIS WITH BOUND ASPARTIC ACID
Descriptor:Aspartate--tRNA ligase, ASPARTIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-17
Release date:2014-01-22
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4LGV
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X-RAY CRYSTAL STRUCTURE OF GLUCOSE-6-PHOSPHATE 1-DEHYDROGENASE FROM MYCOBACTERIUM AVIUM
Descriptor:Glucose-6-phosphate 1-dehydrogenase, GLYCEROL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-06-28
Release date:2013-07-24
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4KAM
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X-RAY CRYSTAL STRUCTURE OF O-ACETYLHOMOSERINE SULFHYDRYLASE METC FROM MYCOBACTERIUM MARINUM ATCC BAA-535 / M
Descriptor:O-acetylhomoserine sulfhydrylase MetC, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-04-22
Release date:2013-05-01
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4J5I
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CRYSTAL STRUCTURE OF AN ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE FROM MYCOBACTERIUM SMEGMATIS
Descriptor:Alpha-ketoglutarate-dependent taurine dioxygenase, FE (III) ION, 1,2-ETHANEDIOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-02-08
Release date:2013-02-20
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4IZ9
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CRYSTAL STRUCTURE OF AN ACETATE KINASE FROM MYCOBACTERIUM AVIUM BOUND TO AN UNKNOWN ACID-APCPP CONJUGATE AND MANGANESE
Descriptor:Acetate kinase, MANGANESE (II) ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-29
Release date:2013-02-20
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4IV6
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X-RAY CRYSTAL STRUCTURE OF AN ISOVALERYL-COA DEHYDROGENASE FROM MYCOBACTERIUM SMEGMATIS
Descriptor:Acyl-CoA dehydrogenase FadE3, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-22
Release date:2013-03-20
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015