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1DG1
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BU of 1dg1 by Molmil
WHOLE, UNMODIFIED, EF-TU(ELONGATION FACTOR TU).
Descriptor: ELONGATION FACTOR TU, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Abel, K, Yoder, M, Hilgenfeld, R, Jurnak, F.
Deposit date:1999-11-22
Release date:1999-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alpha to beta conformational switch in EF-Tu.
Structure, 4, 1996
2HCJ
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BU of 2hcj by Molmil
Trypsin-modified Elongation Factor Tu in complex with tetracycline
Descriptor: GLYOXYLIC ACID, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Mui, S, Heffron, S.E, Aorora, A, Abel, K, Bergmann, E, Jurnak, F.
Deposit date:2006-06-16
Release date:2006-10-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Molecular complementarity between tetracycline and the GTPase active site of elongation factor Tu.
Acta Crystallogr.,Sect.D, 62, 2006
2HDN
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BU of 2hdn by Molmil
Trypsin-modified Elongation Factor Tu in complex with tetracycline at 2.8 Angstrom resolution
Descriptor: Elongation factor EF-Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Mui, S, Heffron, S.E, Aorora, A, Abel, K, Bergmann, E, Jurnak, F.
Deposit date:2006-06-20
Release date:2006-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular complementarity between tetracycline and the GTPase active site of elongation factor Tu.
Acta Crystallogr.,Sect.D, 62, 2006
2XWT
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BU of 2xwt by Molmil
CRYSTAL STRUCTURE OF THE TSH RECEPTOR IN COMPLEX WITH A BLOCKING TYPE TSHR AUTOANTIBODY
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, THYROID BLOCKING HUMAN AUTOANTIBODY K1-70 HEAVY CHAIN, ...
Authors:Sanders, J, Sanders, P, Young, S, Kabelis, K, Baker, S, Sullivan, A, Evans, M, Clark, J, Wilmot, J, Hu, X, Roberts, E, Powell, M, Nunez Miguel, R, Furmaniak, J, Rees Smith, B.
Deposit date:2010-11-05
Release date:2011-03-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Tsh Receptor (Tshr) Bound to a Blocking-Type Tshr Autoantibody.
J.Mol.Endocrinol., 46, 2011
1HZE
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BU of 1hze by Molmil
SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF RIBOFLAVIN SYNTHASE FROM E. COLI
Descriptor: RIBOFLAVIN, RIBOFLAVIN SYNTHASE ALPHA CHAIN
Authors:Truffault, V, Coles, M, Diercks, T, Abelmann, K, Eberhardt, S, Luettgen, H, Bacher, A, Kessler, H.
Deposit date:2001-01-24
Release date:2001-09-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The solution structure of the N-terminal domain of riboflavin synthase.
J.Mol.Biol., 309, 2001
1I18
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BU of 1i18 by Molmil
SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF RIBOFLAVIN SYNTHASE FROM E. COLI
Descriptor: RIBOFLAVIN, RIBOFLAVIN SYNTHASE ALPHA CHAIN
Authors:Truffault, V, Coles, M, Diercks, T, Abelmann, K, Eberhardt, S, Luettgen, H, Bacher, A, Kessler, H.
Deposit date:2001-01-31
Release date:2001-09-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The solution structure of the N-terminal domain of riboflavin synthase.
J.Mol.Biol., 309, 2001
1EFC
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BU of 1efc by Molmil
INTACT ELONGATION FACTOR FROM E.COLI
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (ELONGATION FACTOR)
Authors:Song, H, Parsons, M.R, Rowsell, S, Leonard, G, Phillips, S.E.V.
Deposit date:1998-11-24
Release date:1999-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of intact elongation factor EF-Tu from Escherichia coli in GDP conformation at 2.05 A resolution.
J.Mol.Biol., 285, 1999
7OIL
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BU of 7oil by Molmil
mPI3Kd in complex with compound 58
Descriptor: 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
Authors:Petersen, J.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OI4
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BU of 7oi4 by Molmil
mPI3Kd in complex with compound 12
Descriptor: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OIJ
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BU of 7oij by Molmil
mPI3Kd in complex with an inhibitor
Descriptor: 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ...
Authors:Petersen, J.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OIS
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BU of 7ois by Molmil
mPI3Kd in complex with compound 7
Descriptor: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
Authors:Petersen, J.
Deposit date:2021-05-12
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
4Z16
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BU of 4z16 by Molmil
Crystal Structure of the Jak3 Kinase Domain Covalently Bound to N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide
Descriptor: N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide, Tyrosine-protein kinase JAK3
Authors:McNally, R, Tan, L, Gray, N.S, Eck, M.J.
Deposit date:2015-03-26
Release date:2016-02-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Development of Selective Covalent Janus Kinase 3 Inhibitors.
J.Med.Chem., 58, 2015
5NCZ
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BU of 5ncz by Molmil
mPI3Kd IN COMPLEX WITH inh1
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J.
Deposit date:2017-03-06
Release date:2017-06-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
5NCY
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BU of 5ncy by Molmil
mPI3Kd IN COMPLEX WITH inh1
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ...
Authors:Petersen, J.
Deposit date:2017-03-06
Release date:2017-06-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
6FTN
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BU of 6ftn by Molmil
mPI3Kd IN COMPLEX WITH AZ2
Descriptor: Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
Authors:Petersen, J.
Deposit date:2018-02-22
Release date:2018-06-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors.
J. Med. Chem., 61, 2018
6GY0
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BU of 6gy0 by Molmil
mPI3Kd IN COMPLEX WITH AZ3
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
Authors:Petersen, J.
Deposit date:2018-06-27
Release date:2019-02-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A class of highly selective inhibitors bind to an active state of PI3K gamma.
Nat.Chem.Biol., 15, 2019
2YIG
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BU of 2yig by Molmil
MMP13 in complex with a novel selective non zinc binding inhibitor
Descriptor: 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE, CALCIUM ION, COLLAGENASE 3, ...
Authors:Gerhardt, S, Hargreaves, D.
Deposit date:2011-05-13
Release date:2011-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective Non Zinc Binding Inhibitors of Mmp13.
Bioorg.Med.Chem.Lett., 21, 2011

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