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6HV2
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BU of 6hv2 by Molmil
MMP-13 in complex with the peptide IMISF
分子名称: CALCIUM ION, Collagenase 3, GLYCEROL, ...
著者Mittl, P, Riedl, R, Hohl, D.
登録日2018-10-10
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.709 Å)
主引用文献Drug Design Inspired by Nature: Crystallographic Detection of an Auto-Tailored Protease Inhibitor Template.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QZV
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BU of 6qzv by Molmil
DPP9 bound to a dipeptide (MP) from the N-terminus of BRCA2
分子名称: Dipeptidyl peptidase 9, MET-PRO
著者Ross, B, Geiss-Friedlander, R, Huber, R.
登録日2019-03-12
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Dipeptidyl peptidase 9 triggers BRCA2 degradation by the N-degron pathway to promote DNA-damage repair
Biorxiv, 2020
6QZW
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BU of 6qzw by Molmil
DPP8 bound to a dipeptide (MP) from the N-terminus of BRCA2
分子名称: Dipeptidyl peptidase 8, MET-PRO, SODIUM ION
著者Ross, B, Geiss-Friedlander, R, Huber, R.
登録日2019-03-12
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Dipeptidyl peptidase 9 triggers BRCA2 degradation by the N-degron pathway to promote DNA-damage repair
Biorxiv, 2020
4FN5
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BU of 4fn5 by Molmil
ELONGATION FACTOR G 1 (PSEUDOMONAS AERUGINOSA) IN COMPLEX WITH Argyrin B
分子名称: Argyrin B, Elongation factor G 1
著者Kirby, C.A, Palestrant, D.
登録日2012-06-19
公開日2012-09-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of elongation factor g as the conserved cellular target of argyrin B.
Plos One, 7, 2012
4WV7
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BU of 4wv7 by Molmil
HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN WITH COVALENTLY LINKED NOVOLACTONE
分子名称: (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid, Heat shock 70 kDa protein 1A/1B
著者Kirby, C.A, Baird, J, Stams, T.
登録日2014-11-04
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献The novolactone natural product disrupts the allosteric regulation of hsp70.
Chem.Biol., 22, 2015
4WV5
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BU of 4wv5 by Molmil
HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN
分子名称: GLYCEROL, Heat shock 70 kDa protein 1A/1B
著者Kirby, C, Stams, T, Baird, J.
登録日2014-11-04
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The novolactone natural product disrupts the allosteric regulation of hsp70.
Chem.Biol., 22, 2015
2HD5
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BU of 2hd5 by Molmil
USP2 in complex with ubiquitin
分子名称: Polyubiquitin, Ubiquitin carboxyl-terminal hydrolase 2, ZINC ION
著者Renatus, M, Kroemer, M.
登録日2006-06-20
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis of Ubiquitin Recognition by the Deubiquitinating Protease USP2.
Structure, 14, 2006
6F0E
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BU of 6f0e by Molmil
Structure of yeast Sec14p with a picolinamide compound
分子名称: SEC14 cytosolic factor, ~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide
著者Hong, Z, Johnen, P, Schaaf, G, Bono, F.
登録日2017-11-20
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Target Identification and Mechanism of Action of Picolinamide and Benzamide Chemotypes with Antifungal Properties.
Cell Chem Biol, 25, 2018
5HL7
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BU of 5hl7 by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with lefamulin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eyal, Z, Matzov, D, Krupkin, M, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
登録日2016-01-14
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献A novel pleuromutilin antibacterial compound, its binding mode and selectivity mechanism.
Sci Rep, 6, 2016
6XYE
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BU of 6xye by Molmil
Cryo-EM structure of the prefusion state of canine distemper virus fusion protein ectodomain
分子名称: Fusion glycoprotein F1, Fusion glycoprotein F2
著者Kalbermatter, D, Fotiadis, D.
登録日2020-01-30
公開日2020-07-22
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structure of the prefusion state of canine distemper virus fusion protein ectodomain.
J Struct Biol X, 4, 2020
6R0H
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BU of 6r0h by Molmil
Glycogen Phosphorylase b in complex with 3
分子名称: 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide, Glycogen phosphorylase, muscle form, ...
著者Tsagkarakou, S.A, Koulas, M.S, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
登録日2019-03-13
公開日2019-04-10
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors.
Molecules, 24, 2019
6R0I
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BU of 6r0i by Molmil
Glycogen Phosphorylase b in complex with 4
分子名称: Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ...
著者Koulas, M.S, Tsagkarakou, S.A, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
登録日2019-03-13
公開日2019-04-17
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors.
Molecules, 24, 2019
8A1A
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BU of 8a1a by Molmil
Structure of a leucinostatin derivative determined by host lattice display : L1F11V1 construct
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, ...
著者Mittl, P.R.E.
登録日2022-06-01
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of a hydrophobic leucinostatin derivative determined by host lattice display.
Acta Crystallogr D Struct Biol, 78, 2022
8A19
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BU of 8a19 by Molmil
Structure of a leucinostatin derivative determined by host lattice display : L1E4V1 construct
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, ...
著者Mittl, P.R.E.
登録日2022-06-01
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.358 Å)
主引用文献Structure of a hydrophobic leucinostatin derivative determined by host lattice display.
Acta Crystallogr D Struct Biol, 78, 2022
7ZNY
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BU of 7zny by Molmil
Cryo-EM structure of the canine distemper virus tetrameric attachment glycoprotein
分子名称: Hemagglutinin glycoprotein
著者Kalbermatter, D, Jeckelmann, J.-M, Wyss, M, Plattet, P, Fotiadis, D.
登録日2022-04-23
公開日2023-02-08
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structure and supramolecular organization of the canine distemper virus attachment glycoprotein.
Proc.Natl.Acad.Sci.USA, 120, 2023
7OZ7
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BU of 7oz7 by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, L84
分子名称: Dipeptidyl peptidase 8, trimethylamine oxide, ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
著者Ross, B, Huber, R.
登録日2021-06-26
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
7OR4
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BU of 7or4 by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B142
分子名称: Dipeptidyl peptidase 8, methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate, trimethylamine oxide
著者Ross, B, Huber, R.
登録日2021-06-04
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
6TRX
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BU of 6trx by Molmil
Crystal structure of DPP8 in complex with 1G244
分子名称: (2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione, Dipeptidyl peptidase 8, PHOSPHATE ION, ...
著者Ross, B.H, Huber, R.
登録日2019-12-19
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Aerosol-based ligand soaking of reservoir-free protein crystals.
J.Appl.Crystallogr., 54, 2021
7NVQ
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BU of 7nvq by Molmil
Aerosol-soaked human cdk2 crystals with Staurosporine
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE
著者Ross, B, Huber, R.
登録日2021-03-15
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Aerosol-based ligand soaking of reservoir-free protein crystals.
J.Appl.Crystallogr., 54, 2021
7A3G
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BU of 7a3g by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, 91
分子名称: 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione, CHLORIDE ION, Dipeptidyl peptidase 8, ...
著者Ross, B.H, Huber, R.
登録日2020-08-18
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
7A3L
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BU of 7a3l by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A241
分子名称: 2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide, CHLORIDE ION, Dipeptidyl peptidase 8, ...
著者Ross, B.H, Huber, R.
登録日2020-08-18
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
7A3J
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BU of 7a3j by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272
分子名称: 2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, CHLORIDE ION, Dipeptidyl peptidase 8, ...
著者Ross, B.H, Huber, R.
登録日2020-08-18
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
7ZXS
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BU of 7zxs by Molmil
Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295
分子名称: 1,2-ETHANEDIOL, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, DI(HYDROXYETHYL)ETHER, ...
著者Ross, B, Huber, R.
登録日2022-05-22
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
7AYR
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BU of 7ayr by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B115
分子名称: Dipeptidyl peptidase 8, PHOSPHATE ION, trimethylamine oxide, ...
著者Ross, B.H, Huber, R.
登録日2020-11-13
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
7AYQ
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BU of 7ayq by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B114
分子名称: Dipeptidyl peptidase 8, GLYCEROL, PHOSPHATE ION, ...
著者Ross, B, Huber, R.
登録日2020-11-13
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022

 

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