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5VLA
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BU of 5vla by Molmil
Short PCSK9 delta-P' complex with Fusion2 peptide
分子名称: CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-MET-PRO-TRP-ASN-LEU-VAL-ARG-ILE-GLY-LEU-LEU
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLK
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BU of 5vlk by Molmil
Short PCSK9 delta-P' complex with shrunken peptide bearing homo-Arginine
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2 peptide, ACE-TRP-ASN-LEU-VAL-HRG-ILE-GLY-LEU-LEU peptide, CALCIUM ION, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLP
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BU of 5vlp by Molmil
PCSK9 complex with LDLR antagonist peptide and Fab7G7
分子名称: Fab7G7 heavy chain, Fab7G7 light chain, LDLR antagonist peptide, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
6AUD
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BU of 6aud by Molmil
PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine
分子名称: 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Ultsch, M.
登録日2017-08-31
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles.
ACS Med Chem Lett, 8, 2017
4JNK
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BU of 4jnk by Molmil
Lactate Dehydrogenase A in complex with inhibitor compound 22
分子名称: (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2013-03-15
公開日2013-05-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
4M49
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BU of 4m49 by Molmil
Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2013-08-06
公開日2013-09-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
1KF9
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BU of 1kf9 by Molmil
PHAGE DISPLAY DERIVED VARIANT OF HUMAN GROWTH HORMONE COMPLEXED WITH TWO COPIES OF THE EXTRACELLULAR DOMAIN OF ITS RECEPTOR
分子名称: EXTRACELLULAR DOMAIN HUMAN GROWTH HORMONE RECEPTOR (1-238), PHAGE DISPLAY DERIVED VARIANT HUMAN GROWTH HORMONE
著者Schiffer, C.A, Ultsch, M, Walsh, S, Somers, W, De Vos, A.M, Kossiakoff, A.A.
登録日2001-11-19
公開日2002-11-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a Phage Display Derived Variant of Human Growth Hormone Complexed to Two Copies of the Extracellular Domain of its Receptor: Evidence for Strong Structural Coupling between Receptor Binding Sites
J.Mol.Biol., 316, 2002
1IMX
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BU of 1imx by Molmil
1.8 Angstrom crystal structure of IGF-1
分子名称: BROMIDE ION, Insulin-like Growth Factor 1A, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
著者Vajdos, F.F, Ultsch, M, Schaffer, M.L, Deshayes, K.D, Liu, J, Skelton, N.J, de Vos, A.M.
登録日2001-05-11
公開日2001-09-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of human insulin-like growth factor-1: detergent binding inhibits binding protein interactions.
Biochemistry, 40, 2001
1BP3
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BU of 1bp3 by Molmil
THE XRAY STRUCTURE OF A GROWTH HORMONE-PROLACTIN RECEPTOR COMPLEX
分子名称: PROTEIN (GROWTH HORMONE), PROTEIN (PROLACTIN RECEPTOR), ZINC ION
著者Somers, W, Ultsch, M, De Vos, A.M, Kossiakoff, A.A.
登録日1998-08-12
公開日1998-08-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The X-ray structure of a growth hormone-prolactin receptor complex.
Nature, 372, 1994
4OLI
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BU of 4oli by Molmil
The pseudokinase/kinase protein from JAK-family member TYK2
分子名称: 2-chloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Eigenbrot, C, Ultsch, M, Wallweber, H.
登録日2014-01-23
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the pseudokinase-kinase domains from protein kinase TYK2 reveals a mechanism for Janus kinase (JAK) autoinhibition.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NQU
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BU of 4nqu by Molmil
anti-parallel Fc-knob (T366W) homodimer
分子名称: Ig gamma-1 chain C region, SULFATE ION
著者Eigenbrot, C, Ultsch, M.
登録日2013-11-25
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antiparallel Conformation of Knob and Hole Aglycosylated Half-Antibody Homodimers Is Mediated by a CH2-CH3 Hydrophobic Interaction.
J.Mol.Biol., 426, 2014
4NQT
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anti-parallel Fc-hole(T366S/L368A/Y407V) homodimer
分子名称: Ig gamma-1 chain C region
著者Eigenbrot, C, Ultsch, M.
登録日2013-11-25
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Antiparallel Conformation of Knob and Hole Aglycosylated Half-Antibody Homodimers Is Mediated by a CH2-CH3 Hydrophobic Interaction.
J.Mol.Biol., 426, 2014
4R68
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BU of 4r68 by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 31
分子名称: (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-08-22
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
4R69
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BU of 4r69 by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 13
分子名称: (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-08-22
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
4QO7
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BU of 4qo7 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4NQS
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BU of 4nqs by Molmil
Knob-into-hole IgG Fc
分子名称: Ig gamma-1 chain C region, miniZ
著者Eigenbrot, C, Ultsch, M.
登録日2013-11-25
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Antiparallel Conformation of Knob and Hole Aglycosylated Half-Antibody Homodimers Is Mediated by a CH2-CH3 Hydrophobic Interaction.
J.Mol.Biol., 426, 2014
4QO8
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BU of 4qo8 by Molmil
Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104
分子名称: (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4EDX
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BU of 4edx by Molmil
Nerve Growth Factor in Complex with Fab from mouse mAb 911
分子名称: Beta-nerve growth factor, heavy chain of Fab of murine anti-NGF, light chain of FAB of murine anti-NGF
著者Eigenbrot, C, Ultsch, M.
登録日2012-03-27
公開日2014-04-02
最終更新日2014-08-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Generation of a high-fidelity antibody against nerve growth factor using library scanning mutagenesis and validation with structures of the initial and optimized Fab-antigen complexes.
MAbs, 6
4EDW
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BU of 4edw by Molmil
Nerve Growth Factor in Complex with Fab from humanized version of mouse mAb 911 (tanezumab)
分子名称: Beta-nerve growth factor, GLYCEROL, tanezumab Fab heavy chain, ...
著者Eigenbrot, C, Ultsch, M.
登録日2012-03-27
公開日2014-04-02
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Generation of a high-fidelity antibody against nerve growth factor using library scanning mutagenesis and validation with structures of the initial and optimized Fab-antigen complexes.
MAbs, 6
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
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
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
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2023-10-04
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
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2011-07-13
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
5U66
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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

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