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PDB: 50 件

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
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-07-10
公開日2017-09-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献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
6U3I
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BU of 6u3i by Molmil
Design of organo-peptides as bipartite PCSK9 antagonists
分子名称: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
著者Ultsch, M.H, Kirchhofer, D.
登録日2019-08-21
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
著者Ultsch, M.H, Kirchhofer, D.
登録日2019-08-19
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
6E4Y
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BU of 6e4y by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9, unmodified
分子名称: 6E2 heavy chain, 6E2 light chain, CHLORIDE ION, ...
著者Ultsch, M.H, Kirchhofer, D.K.
登録日2018-07-18
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献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
分子名称: 6E2 heavy chain, 6E2 light chain, Proprotein convertase subtilisin/kexin type 9, ...
著者Ultsch, M.H, Kirchhofer, D.K.
登録日2018-07-18
公開日2019-04-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
1HUW
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BU of 1huw by Molmil
THE CRYSTAL STRUCTURE OF AFFINITY-MATURED HUMAN GROWTH HORMONE AT 2 ANGSTROMS RESOLUTION
分子名称: HUMAN GROWTH HORMONE
著者Ultsch, M.H, Somers, W.S, Kossiakoff, A.A, De Vos, A.M.
登録日1993-09-22
公開日1994-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of affinity-matured human growth hormone at 2 A resolution.
J.Mol.Biol., 236, 1994
6OKN
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BU of 6okn by Molmil
OX40R (TNFRSF4) bound to Fab 1A7
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab 1A7 heavy chain, Fab 1A7 light chain, ...
著者Ultsch, M.H, Boenig, G, Harris, S.F.
登録日2019-04-14
公開日2019-07-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
6OGX
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BU of 6ogx by Molmil
Ternary complex of OX40R (TNFRSF4) bound to Fab1 and Fab2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 1 Heavy Chain, Fab1 Light Chain, ...
著者Ultsch, M.H, Boenig, G, Harris, S.F.
登録日2019-04-03
公開日2019-07-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
4U80
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BU of 4u80 by Molmil
MEK 1 kinase bound to G799
分子名称: 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, ...
著者Ultsch, M.H, Robarge, K.D, Weismann, C.
登録日2014-07-31
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
7SJM
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BU of 7sjm by Molmil
anti-HtrA1 Fab15H6.v4
分子名称: GLYCEROL, Heavy Chain, Light Chain, ...
著者Ultsch, M.H, Gerhardy, S.
登録日2021-10-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
7SJP
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BU of 7sjp by Molmil
anti-HtrA1 Fab15H6.v4 bound to HtrA1-LoopA peptide
分子名称: GLYCEROL, Heavy Chain, HtrA1-LoopA peptide, ...
著者Ultsch, M.H, Gerhardy, S.
登録日2021-10-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
1BHT
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BU of 1bht by Molmil
NK1 FRAGMENT OF HUMAN HEPATOCYTE GROWTH FACTOR
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR, SULFATE ION
著者Ultsch, M.H, Lokker, N.A, Godowski, P.J, De Vos, A.M.
登録日1998-06-10
公開日1998-11-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the NK1 fragment of human hepatocyte growth factor at 2.0 A resolution.
Structure, 6, 1998
6MV5
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BU of 6mv5 by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9 (E32K)
分子名称: Anti-PCSK9 fab 6E2 heavy chain, Anti-PCSK9 fab 6E2 light chain, CHLORIDE ION, ...
著者Ultsch, M.H, Kirchhofer, D.K.
登録日2018-10-24
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
8SE7
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BU of 8se7 by Molmil
HTRA-1 PDSA bound to CKP 1A8
分子名称: Cysteine knot peptide, Serine protease HTRA1
著者Ultsch, M.H, Kirchhofer, D, Wei, Y.
登録日2023-04-08
公開日2024-07-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献HTRA-1 PDSA bound to CKP 1A8
To Be Published
8SDM
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BU of 8sdm by Molmil
HTRA-1 PDSA bound to CKP 3B3
分子名称: Cysteine-containing peptide 3B3, Serine protease HTRA1
著者Ultsch, M.H, Kirchhofer, D, Wei, Y.
登録日2023-04-07
公開日2024-07-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献HTRA-1 PDSA bound to CKP 3B3
To Be Published
8SDP
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BU of 8sdp by Molmil
HTRA-1 PDSA bound to CKP 3A7
分子名称: Cysteine knot peptide 3A7, SULFATE ION, Serine protease HTRA1
著者Ultsch, M.H, Kirchhofer, D, Wei, Y.
登録日2023-04-07
公開日2024-07-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献HTRA-1 PDSA bound to CKP 3A7
To Be Published
8SE8
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BU of 8se8 by Molmil
HTRA-1 PD/SA bound to CKP 1G10
分子名称: Cysteine knot peptide, GLYCEROL, SULFATE ION, ...
著者Ultsch, M.H.
登録日2023-04-08
公開日2024-07-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献HTRA-1 PD/SA bound to CKP 1G10
To Be Published
5U52
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BU of 5u52 by Molmil
2 helix minimized version of the B-domain from Protein A (Z34C0 bound to IgG1 Fc (monoclinic form)
分子名称: IGG1 FC, Mini Z domain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Ultsch, M.H, Eigenbrot, C.
登録日2016-12-06
公開日2017-05-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献3-2-1: Structural insights from stepwise shrinkage of a three-helix Fc-binding domain to a single helix.
Protein Eng. Des. Sel., 30, 2017
5U66
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BU of 5u66 by Molmil
Modified single helix from the B-domain of protein A bound to IgG1 Fc
分子名称: IgG1 fc derived from CD4-fc fusion, STAPLED PEPTIDE FROM DOMAIN B OF PROTEIN A, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Ultsch, M.H, Eigenbrot, C.
登録日2016-12-07
公開日2017-05-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献3-2-1: Structural insights from stepwise shrinkage of a three-helix Fc-binding domain to a single helix.
Protein Eng. Des. Sel., 30, 2017
1WWC
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BU of 1wwc by Molmil
NT3 BINDING DOMAIN OF HUMAN TRKC RECEPTOR
分子名称: PROTEIN (NT-3 GROWTH FACTOR RECEPTOR TRKC)
著者Ultsch, M.H, Wiesmann, C, Simmons, L.C, Henrich, J, Yang, M, Reilly, D, Bass, S.H, De Vos, A.M.
登録日1999-04-30
公開日1999-07-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of the neurotrophin-binding domain of TrkA, TrkB and TrkC.
J.Mol.Biol., 290, 1999
5U4Y
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BU of 5u4y by Molmil
IgG Fc bound to 3 helix of the B-domain from Protein A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG1 fc, Immunoglobulin G-binding protein A, ...
著者Ultsch, M.H, Eigenbrot, C.
登録日2016-12-06
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4994 Å)
主引用文献3-2-1: Structural insights from stepwise shrinkage of a three-helix Fc-binding domain to a single helix.
Protein Eng. Des. Sel., 30, 2017
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
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-06-26
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献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
8UN5
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BU of 8un5 by Molmil
KRAS-G13D-GDP in complex with Cpd38 ((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-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one)
分子名称: (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-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one, GLYCEROL, GTPase KRas, ...
著者Ultsch, M.H.
登録日2023-10-18
公開日2023-12-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
8UN3
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BU of 8un3 by Molmil
KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one)
分子名称: 1,2-ETHANEDIOL, 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Ultsch, M.H.
登録日2023-10-18
公開日2023-12-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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)
分子名称: (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, ...
著者Ultsch, M.H.
登録日2023-10-18
公開日2023-12-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024

 

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