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PDB: 122 results
6E4Y
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BU of 6e4y by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9, unmodified
Descriptor: 6E2 heavy chain, 6E2 light chain, CHLORIDE ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.K.
Deposit date:2018-07-18
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
6E4Z
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BU of 6e4z by Molmil
Anti-PCSK9 fab 6E2 bound to the modified N-terminal peptide from PCSK9
Descriptor: 6E2 heavy chain, 6E2 light chain, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Ultsch, M.H, Kirchhofer, D.K.
Deposit date:2018-07-18
Release date:2019-04-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
5WAL
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BU of 5wal by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
Descriptor: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H, Magnuson, S.
Deposit date:2017-06-26
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
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
4GIH
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BU of 4gih by Molmil
Tyk2 (JH1) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
Descriptor: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-08
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
5WEV
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BU of 5wev by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
Descriptor: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
Authors:Ultsch, M.H, Magnuson, S.
Deposit date:2017-07-10
Release date:2017-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
4GII
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BU of 4gii by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
Descriptor: 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-08
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
7SJP
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BU of 7sjp by Molmil
anti-HtrA1 Fab15H6.v4 bound to HtrA1-LoopA peptide
Descriptor: GLYCEROL, Heavy Chain, HtrA1-LoopA peptide, ...
Authors:Ultsch, M.H, Gerhardy, S.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
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
7SJM
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BU of 7sjm by Molmil
anti-HtrA1 Fab15H6.v4
Descriptor: GLYCEROL, Heavy Chain, Light Chain, ...
Authors:Ultsch, M.H, Gerhardy, S.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
6U3I
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BU of 6u3i by Molmil
Design of organo-peptides as bipartite PCSK9 antagonists
Descriptor: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.
Deposit date:2019-08-21
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
6U2F
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BU of 6u2f by Molmil
PCSK9-Fab 7G7 complex bound to cis-1-amino-4-phenylcyclohexaneacyl-WNLK(hR)IGLLR - NH2
Descriptor: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.
Deposit date:2019-08-19
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
6OKN
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BU of 6okn by Molmil
OX40R (TNFRSF4) bound to Fab 1A7
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab 1A7 heavy chain, Fab 1A7 light chain, ...
Authors:Ultsch, M.H, Boenig, G, Harris, S.F.
Deposit date:2019-04-14
Release date:2019-07-10
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
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
4PRJ
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BU of 4prj by Molmil
Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide)
Descriptor: Aurora kinase A, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2014-03-05
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
1HUW
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BU of 1huw by Molmil
THE CRYSTAL STRUCTURE OF AFFINITY-MATURED HUMAN GROWTH HORMONE AT 2 ANGSTROMS RESOLUTION
Descriptor: HUMAN GROWTH HORMONE
Authors:Ultsch, M.H, Somers, W.S, Kossiakoff, A.A, De Vos, A.M.
Deposit date:1993-09-22
Release date:1994-01-31
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of affinity-matured human growth hormone at 2 A resolution.
J.Mol.Biol., 236, 1994
6MV5
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BU of 6mv5 by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9 (E32K)
Descriptor: Anti-PCSK9 fab 6E2 heavy chain, Anti-PCSK9 fab 6E2 light chain, CHLORIDE ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.K.
Deposit date:2018-10-24
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
6OGX
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BU of 6ogx by Molmil
Ternary complex of OX40R (TNFRSF4) bound to Fab1 and Fab2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 1 Heavy Chain, Fab1 Light Chain, ...
Authors:Ultsch, M.H, Boenig, G, Harris, S.F.
Deposit date:2019-04-03
Release date:2019-07-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
6VVU
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BU of 6vvu by Molmil
Anti-Tryptase fab E104.v1 bound to tryptase
Descriptor: CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ...
Authors:Ultsch, M, Koerber, J.T.
Deposit date:2020-02-18
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge.
Nat Commun, 11, 2020
1WWC
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BU of 1wwc by Molmil
NT3 BINDING DOMAIN OF HUMAN TRKC RECEPTOR
Descriptor: PROTEIN (NT-3 GROWTH FACTOR RECEPTOR TRKC)
Authors:Ultsch, M.H, Wiesmann, C, Simmons, L.C, Henrich, J, Yang, M, Reilly, D, Bass, S.H, De Vos, A.M.
Deposit date:1999-04-30
Release date:1999-07-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the neurotrophin-binding domain of TrkA, TrkB and TrkC.
J.Mol.Biol., 290, 1999
4LMN
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BU of 4lmn by Molmil
Crystal Structure of MEK1 kinase bound to GDC0973
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ultsch, M.H.
Deposit date:2013-07-10
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers.
Nature, 501, 2013
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
4U80
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BU of 4u80 by Molmil
MEK 1 kinase bound to G799
Descriptor: 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Ultsch, M.H, Robarge, K.D, Weismann, C.
Deposit date:2014-07-31
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
8UN4
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BU of 8un4 by Molmil
KRAS-G13D-GDP in complex with Cpd36 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(4-((dimethylamino)methyl)-5-methylpyridin-2-yl)prop-2-en-1-one)
Descriptor: (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-{4-[(dimethylamino)methyl]-5-methylpyridin-2-yl}prop-2-en-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ultsch, M.H.
Deposit date:2023-10-18
Release date:2023-12-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
8SE8
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BU of 8se8 by Molmil
HTRA-1 PD/SA bound to CKP 1G10
Descriptor: Cysteine knot peptide, GLYCEROL, SULFATE ION, ...
Authors:Ultsch, M.H.
Deposit date:2023-04-08
Release date:2024-07-03
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:HTRA-1 PD/SA bound to CKP 1G10
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