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6SBA
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BU of 6sba by Molmil
Crystal Structure of mTEAD with a VGL4 Tertiary Structure Mimetic
分子名称: ACETYL GROUP, GLYCEROL, Transcriptional enhancer factor TEF-3, ...
著者Adihou, H, Grossmann, T.N, Waldmann, H, Gasper, R.
登録日2019-07-19
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A protein tertiary structure mimetic modulator of the Hippo signalling pathway.
Nat Commun, 11, 2020
6CFD
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BU of 6cfd by Molmil
ADEP4 bound to E. faecium ClpP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide
著者Lee, R.E, Griffith, E.C.
登録日2018-02-14
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
4WXP
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BU of 4wxp by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor at 2.08 A resolution
分子名称: (1-methyl-1H-indol-3-yl)acetic acid, CHLORIDE ION, NS3-4 protease, ...
著者Davies, D.R.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor
TO BE PUBLISHED
3C7X
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BU of 3c7x by Molmil
Hemopexin-like domain of matrix metalloproteinase 14
分子名称: CHLORIDE ION, Matrix metalloproteinase-14, SODIUM ION
著者Tochowicz, A, Itoh, Y, Maskos, K, Bode, W, Goettig, P.
登録日2008-02-08
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The dimer interface of the membrane type 1 matrix metalloproteinase hemopexin domain: crystal structure and biological functions
J.Biol.Chem., 286, 2011
5NZ9
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BU of 5nz9 by Molmil
NMR structure of an EphA2-Sam fragment
分子名称: Ephrin type-A receptor 2
著者Mercurio, F.A, Leone, M.
登録日2017-05-12
公開日2017-12-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Sam-Sam interaction between Ship2 and the EphA2 receptor: design and analysis of peptide inhibitors.
Sci Rep, 7, 2017
4OS5
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BU of 4os5 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 2)
分子名称: SULFATE ION, Urokinase-type plasminogen activator, bicyclic peptide UK603 (bicyclic 2)
著者Chen, S, Pojer, F, Heinis, C.
登録日2014-02-12
公開日2014-09-24
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
4OS1
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BU of 4os1 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK601 (bicyclic 1)
分子名称: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ...
著者Chen, S, Pojer, F, Heinis, C.
登録日2014-02-12
公開日2014-09-24
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
4OS6
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BU of 4os6 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK604 (bicyclic 2)
分子名称: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ...
著者Chen, S, Pojer, F, Heinis, C.
登録日2014-02-12
公開日2014-09-24
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
4OS4
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BU of 4os4 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 1)
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Chen, S, Pojer, F, Heinis, C.
登録日2014-02-12
公開日2014-09-24
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
6DUY
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BU of 6duy by Molmil
Crystal structure of the alpha-N-catenin actin-binding domain H1 mutant
分子名称: Catenin alpha-2
著者Ishiyama, N, Ikura, M.
登録日2018-06-22
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Force-dependent allostery of the alpha-catenin actin-binding domain controls adherens junction dynamics and functions.
Nat Commun, 9, 2018
6DUW
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BU of 6duw by Molmil
Crystal structure of the alpha-N-catenin actin-binding domain H1 mutant
分子名称: Catenin alpha-2
著者Ishiyama, N, Ikura, M.
登録日2018-06-22
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Force-dependent allostery of the alpha-catenin actin-binding domain controls adherens junction dynamics and functions.
Nat Commun, 9, 2018
6DV1
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BU of 6dv1 by Molmil
Crystal structure of the alpha-E-catenin actin-binding domain
分子名称: BROMIDE ION, Catenin alpha-1, SULFATE ION
著者Ishiyama, N, Ikura, M.
登録日2018-06-22
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Force-dependent allostery of the alpha-catenin actin-binding domain controls adherens junction dynamics and functions.
Nat Commun, 9, 2018
6E4F
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BU of 6e4f by Molmil
Crystal structure of ARQ 531 in complex with the kinase domain of BTK
分子名称: 1,2-ETHANEDIOL, 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol, IMIDAZOLE, ...
著者Eathiraj, S.
登録日2018-07-17
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献The BTK Inhibitor ARQ 531 Targets Ibrutinib-Resistant CLL and Richter Transformation.
Cancer Discov, 8, 2018
4OS7
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BU of 4os7 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK607 (bicyclic)
分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ...
著者Chen, S, Pojer, F, Heinis, C.
登録日2014-02-12
公開日2014-09-24
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
4OS2
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BU of 4os2 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1)
分子名称: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ...
著者Chen, S, Pojer, F, Heinis, C.
登録日2014-02-12
公開日2014-09-24
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
6O2W
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BU of 6o2w by Molmil
Crystal structure of the SARAF luminal domain Cys-lock mutant dimer
分子名称: GLYCEROL, Store-operated calcium entry-associated regulatory factor
著者Kimberlin, C.R, Minor, D.L.
登録日2019-02-24
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献SARAF Luminal Domain Structure Reveals a Novel Domain-Swapped beta-Sandwich Fold Important for SOCE Modulation.
J.Mol.Biol., 431, 2019
6O2U
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BU of 6o2u by Molmil
Crystal structure of the SARAF luminal domain
分子名称: Store-operated calcium entry-associated regulatory factor
著者Kimberlin, C.R, Minor, D.L.
登録日2019-02-24
公開日2019-05-29
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SARAF Luminal Domain Structure Reveals a Novel Domain-Swapped beta-Sandwich Fold Important for SOCE Modulation.
J.Mol.Biol., 431, 2019
6O2V
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BU of 6o2v by Molmil
Crystal structure of the SARAF luminal domain Cys-lock mutant monomer
分子名称: FORMIC ACID, GLYCEROL, Store-operated calcium entry-associated regulatory factor
著者Kimberlin, C.R, Minor, D.L.
登録日2019-02-24
公開日2019-05-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献SARAF Luminal Domain Structure Reveals a Novel Domain-Swapped beta-Sandwich Fold Important for SOCE Modulation.
J.Mol.Biol., 431, 2019
6PE6
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BU of 6pe6 by Molmil
PANK3 complex structure with compound PZ-3022
分子名称: 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者White, S.W, Yun, M.
登録日2019-06-20
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pantothenate kinase activation relieves coenzyme A sequestration and improves mitochondrial function in mice with propionic acidemia.
Sci Transl Med, 13, 2021
6PKA
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BU of 6pka by Molmil
Structure of ClpP from Staphylococcus aureus in complex with ureadepsipeptide
分子名称: ATP-dependent Clp protease proteolytic subunit, OO1-WFP-SER-PRO-YCP-ALA-MP8 ureadepsipeptide
著者Griffith, E.C, Lee, R.E.
登録日2019-06-28
公開日2019-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 5, 2019
6PMD
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BU of 6pmd by Molmil
Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, SHV-WFP-SER-PRO-YCP-ALA-MP8 Acyldepsipeptide
著者Griffith, E.C, Lee, R.E.
登録日2019-07-01
公開日2019-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 5, 2019
3UDL
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BU of 3udl by Molmil
3-heterocyclyl quinolone bound to HCV NS5B
分子名称: 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one, HCV NS5B polymerase
著者Somoza, J.R.
登録日2011-10-28
公開日2011-12-21
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3PHE
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BU of 3phe by Molmil
HCV NS5B with a bound quinolone inhibitor
分子名称: 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate, HCV encoded nonstructural 5B protein
著者Somoza, J.R, To, N, Lehoux, I.
登録日2010-11-03
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
6X2U
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BU of 6x2u by Molmil
Crystal Structure of PKINES peptide bound to CRM1
分子名称: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
著者Baumhardt, J.M.
登録日2020-05-21
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6X2S
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BU of 6x2s by Molmil
Crystal Structure of Mek1(NQ)NES peptide bound to CRM
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ...
著者Baumhardt, J.M.
登録日2020-05-20
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020

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