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5VZY
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BU of 5vzy by Molmil
Crystal structure of crenezumab Fab in complex with Abeta
Descriptor: Amyloid beta A4 protein, Crenezumab Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Crenezumab Fab light chain,Immunoblobulin light chain
Authors:Ultsch, M, Wang, W.
Deposit date:2017-05-29
Release date:2017-08-09
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
5VZX
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BU of 5vzx by Molmil
Crystal structure of crenezumab Fab
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Crenezumab Fab heavy chain, ...
Authors:Ultsch, M, Wang, W.
Deposit date:2017-05-29
Release date:2017-08-09
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
7LFB
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BU of 7lfb by Molmil
Fab 7D6 bound to ApoL1 NTD
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Apolipoprotein L1, Fab 7D6 heavy chain, ...
Authors:Ultsch, M, Kirchhofer, D.
Deposit date:2021-01-16
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.913 Å)
Cite:Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
7LFA
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BU of 7lfa by Molmil
Fab 3B6 bound to ApoL1 NTD
Descriptor: Apolipoprotein L1, CHLORIDE ION, Fab 3B6 heavy chain, ...
Authors:Ultsch, M, Kirchhofer, D.
Deposit date:2021-01-15
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.857 Å)
Cite:Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
7LF7
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BU of 7lf7 by Molmil
Fab 6D12 bound to ApoL1 NTD
Descriptor: Apolipoprotein L1, ETHANOL, Fab 6D12 heavy chain, ...
Authors:Ultsch, M, Kirchhofer, D.
Deposit date:2021-01-15
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.026 Å)
Cite:Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
7LF8
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BU of 7lf8 by Molmil
Fab 6D12 bound to ApoL2 NTD
Descriptor: Apolipoprotein L2, Fab 6D12 heavy chain, Fab 6D12 light chain, ...
Authors:Ultsch, M, Kirchhofer, D.
Deposit date:2021-01-15
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
7LFD
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BU of 7lfd by Molmil
Fab 7D6 bound to ApoL1 BH3 like peptide
Descriptor: AMMONIUM ION, Apolipoprotein L1 BH3 like peptide, CITRATE ANION, ...
Authors:Ultsch, M, Kirchhofer, D.
Deposit date:2021-01-16
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.157 Å)
Cite:Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
5IXS
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BU of 5ixs by Molmil
Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2016-03-23
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
5HEZ
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BU of 5hez by Molmil
JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209
Descriptor: CHLORIDE ION, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2016-01-06
Release date:2016-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Resolving TYK2 locus genotype-to-phenotype differences in autoimmunity.
Sci Transl Med, 8, 2016
7L6K
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BU of 7l6k by Molmil
ApoL1 N-terminal domain
Descriptor: Apolipoprotein L1
Authors:Holliday, M.J, Ultsch, M, Moran, P, Fairbrother, W.J, Kirchhofer, D.
Deposit date:2020-12-23
Release date:2021-08-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB1
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BU of 6bb1 by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB2
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BU of 6bb2 by Molmil
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAG
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BU of 6bag by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-12
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB0
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BU of 6bb0 by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAZ
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BU of 6baz by Molmil
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAD
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BU of 6bad by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-12
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
4I77
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BU of 4i77 by Molmil
Lebrikizumab Fab bound to IL-13
Descriptor: Interleukin-13, Lebrikizumab heavy chain, Lebrikizumab light chain
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2012-11-30
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Signaling Blockade by Anti-IL-13 Antibody Lebrikizumab.
J.Mol.Biol., 425, 2013
1A22
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BU of 1a22 by Molmil
HUMAN GROWTH HORMONE BOUND TO SINGLE RECEPTOR
Descriptor: GROWTH HORMONE, GROWTH HORMONE RECEPTOR
Authors:De Vos, A.M, Ultsch, M.
Deposit date:1998-01-15
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional analysis of the 1:1 growth hormone:receptor complex reveals the molecular basis for receptor affinity.
J.Mol.Biol., 277, 1998
1AXI
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BU of 1axi by Molmil
STRUCTURAL PLASTICITY AT THE HGH:HGHBP INTERFACE
Descriptor: GROWTH HORMONE, GROWTH HORMONE RECEPTOR, SULFATE ION
Authors:Atwell, S, Ultsch, M, De Vos, A.M, Wells, J.A.
Deposit date:1997-10-15
Release date:1998-01-28
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural plasticity in a remodeled protein-protein interface.
Science, 278, 1997
1BP3
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BU of 1bp3 by Molmil
THE XRAY STRUCTURE OF A GROWTH HORMONE-PROLACTIN RECEPTOR COMPLEX
Descriptor: PROTEIN (GROWTH HORMONE), PROTEIN (PROLACTIN RECEPTOR), ZINC ION
Authors:Somers, W, Ultsch, M, De Vos, A.M, Kossiakoff, A.A.
Deposit date:1998-08-12
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The X-ray structure of a growth hormone-prolactin receptor complex.
Nature, 372, 1994
3HHR
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BU of 3hhr by Molmil
HUMAN GROWTH HORMONE AND EXTRACELLULAR DOMAIN OF ITS RECEPTOR: CRYSTAL STRUCTURE OF THE COMPLEX
Descriptor: HUMAN GROWTH HORMONE, HUMAN GROWTH HORMONE RECEPTOR (hGHbp)
Authors:De Vos, A.M, Ultsch, M, Kossiakoff, A.A.
Deposit date:1993-12-30
Release date:1994-04-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human growth hormone and extracellular domain of its receptor: crystal structure of the complex.
Science, 255, 1992
8EXL
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BU of 8exl by Molmil
Crystal structure of PI3K-alpha in complex with taselisib
Descriptor: 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
Deposit date:2022-10-25
Release date:2022-11-30
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
8EXO
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BU of 8exo by Molmil
Crystal structure of PI3K-alpha in complex with compound 19
Descriptor: 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
Deposit date:2022-10-25
Release date:2022-11-30
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
8EXU
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BU of 8exu by Molmil
Crystal structure of PI3K-alpha in complex with compound 30
Descriptor: (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
Deposit date:2022-10-25
Release date:2022-11-30
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022

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