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4CXJ
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BU of 4cxj by Molmil
BTB domain of KEAP1 C151W mutant
分子名称: KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G.
登録日2014-04-07
公開日2014-06-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
4D81
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BU of 4d81 by Molmil
Metallosphera sedula Vps4 crystal structure
分子名称: AAA ATPase, central domain protein, ADENOSINE-5'-DIPHOSPHATE
著者Caillat, C, Macheboeuf, P, Wu, Y, McCarthy, A.A, Boeri-Erba, E, Effantin, G, Gottlinger, H.G, Weissenhorn, W, Renesto, P.
登録日2014-12-02
公開日2015-11-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Asymmetric Ring Structure of Vps4 Required for Escrt-III Disassembly.
Nat.Commun., 6, 2015
8B7J
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BU of 8b7j by Molmil
Human HSP90 alpha ATP Binding Domain, ATP-lid closed conformation, R46A
分子名称: HSP90AA1 protein
著者Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brustcher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J.
登録日2022-09-30
公開日2022-11-16
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Visualizing the transiently populated closed-state of human HSP90 ATP binding domain.
Nat Commun, 13, 2022
4D5R
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BU of 4d5r by Molmil
Structure of N-terminally truncated A49 from Vaccinia Virus Western Reserve
分子名称: A49
著者Neidel, S, Maluquer de Motes, C, Mansur, D.S, Strnadova, P, Smith, G.L, Graham, S.C.
登録日2014-11-07
公開日2015-01-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Vaccinia Virus Protein A49 is an Unexpected Member of the B-Cell Lymphoma (Bcl)-2 Protein Family
J.Biol.Chem., 290, 2015
8B7I
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BU of 8b7i by Molmil
Human HSP90 alpha ATP Binding Domain, ATP-lid open conformation, R60A
分子名称: HSP90AA1 protein
著者Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brutscher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J.
登録日2022-09-30
公開日2022-11-16
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Visualizing the transiently populated closed-state of human HSP90 ATP binding domain.
Nat Commun, 13, 2022
4CXT
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BU of 4cxt by Molmil
BTB domain of KEAP1 in complex with CDDO
分子名称: (13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G.
登録日2014-04-08
公開日2014-06-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
4CVO
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BU of 4cvo by Molmil
Crystal structure of the N-terminal colied-coil domain of human DNA excision repair protein ERCC-6
分子名称: DNA EXCISION REPAIR PROTEIN ERCC-6, MAGNESIUM ION
著者Newman, J.A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2014-03-28
公開日2014-04-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the N-Terminal Colied-Coil Domain of Human DNA Excision Repair Protein Ercc-6
To be Published
4CNI
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BU of 4cni by Molmil
Crystal structure of the Fab portion of Olokizumab in complex with IL- 6
分子名称: INTERLEUKIN-6, OLOKIZUMAB HEAVY CHAIN, FAB PORTION, ...
著者Shaw, S, Bourne, T, Meier, C, Carrington, B, Gelinas, R, Henry, A, Popplewell, A, Adams, R, Baker, T, Rapecki, S, Marshall, D, Neale, H, Lawson, A.
登録日2014-01-22
公開日2014-04-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Characterization of Olokizumab: A Humanized Antibody Targeting Interleukin-6 and Neutralizing Gp130-Signaling.
Mabs, 6, 2014
4CRT
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BU of 4crt by Molmil
Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234
分子名称: (E)-N-methyl-N-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE
著者Esteban, G, Allan, J, Samadi, A, Mattevi, A, Unzeta, M, Marco-Contelles, J, Binda, C, Ramsay, R.R.
登録日2014-02-28
公開日2014-04-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Kinetic and Structural Analysis of the Irreversible Inhibition of Human Monoamine Oxidases by Ass234, a Multi-Target Compound Designed for Use in Alzheimer'S Disease.
Biochim.Biophys.Acta, 1844, 2014
4DAT
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BU of 4dat by Molmil
Structure of 14-3-3 sigma in complex with PADI6 14-3-3 binding motif II
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, Peptidylarginine Deiminase type VI
著者Rose, R, Rose, M, Ottmann, C.
登録日2012-01-13
公開日2012-06-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Identification and structural characterization of two 14-3-3 binding sites in the human peptidylarginine deiminase type VI.
J.Struct.Biol., 180, 2012
4DGH
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BU of 4dgh by Molmil
Structure of SulP Transporter STAS Domain from Vibrio Cholerae Refined to 1.9 Angstrom Resolution
分子名称: GLYCEROL, IODIDE ION, POTASSIUM ION, ...
著者Keller, J.P, Chang, C, Marshall, N, Bearden, J, Dallos, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-01-25
公開日2012-02-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of SulP Transporter STAS Domain from Vibrio Cholerae Refined to 1.9 Angstrom Resolution
To be Published
4DJ5
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BU of 4dj5 by Molmil
Proteinase K by Langmuir-Blodgett Hanging Drop Method at 1.8A resolution for Unique Water Distribution
分子名称: Proteinase K
著者Pechkova, E, Sivozhelezov, V, Belmonte, L, Nicolini, C.
登録日2012-02-01
公開日2012-07-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unique water distribution of Langmuir-Blodgett versus classical crystals.
J.Struct.Biol., 180, 2012
8GY0
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BU of 8gy0 by Molmil
Agrocybe pediades linalool sunthase (Ap.LS)
分子名称: Terpene synthase
著者Rehka, T, Sharma, D, Lin, F, Lim, C, Choong, Y.K, Chacko, J, Zhang, C.
登録日2022-09-21
公開日2023-04-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献Structural Understanding of Fungal Terpene Synthases for the Formation of Linear or Cyclic Terpene Products.
Acs Catalysis, 13, 2023
4J7D
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BU of 4j7d by Molmil
The 1.25A crystal structure of humanized Xenopus MDM2 with a nutlin fragment, RO5045331
分子名称: (4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Janson, C, Lukacs, C, Graves, B.
登録日2013-02-13
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor.
ACS Med Chem Lett, 4, 2013
8S7J
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BU of 8s7j by Molmil
Coxsackievirus A9 bound with compound 20 (CL300)
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C.
登録日2024-03-01
公開日2024-10-02
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.26 Å)
主引用文献SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 67, 2024
5WP3
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BU of 5wp3 by Molmil
Crystal Structure of EED in complex with EB22
分子名称: EB22, Polycomb protein EED, UNKNOWN ATOM OR ION
著者Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-08-03
公開日2017-09-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8TJF
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BU of 8tjf by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
分子名称: Fab Lambda light chain, IgG1 Fab heavy chain
著者Oganesyan, V.Y, van Dyk, N, Mazor, Y, Chiang, C.
登録日2023-07-21
公開日2023-11-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
7TUM
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BU of 7tum by Molmil
Multi-Hit SFX using MHz XFEL sources- first hit
分子名称: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION
著者Darmanin, C, Holmes, S, Abbey, B.
登録日2022-02-03
公開日2022-07-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6FIB
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BU of 6fib by Molmil
Structure of human 4-1BB ligand
分子名称: Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein
著者Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J.
登録日2018-01-17
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy.
Sci Transl Med, 11, 2019
5J7A
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BU of 5j7a by Molmil
Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
著者Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J.
登録日2016-04-06
公開日2016-08-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
7B4R
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BU of 7b4r by Molmil
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
分子名称: COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ...
著者Maveyraud, L, Carivenc, C, Blanger, C, Mourey, L.
登録日2020-12-02
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
7B4S
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Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and compound 153786 from the NCI Open Database
分子名称: 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione, COENZYME A, MANGANESE (II) ION, ...
著者Maveyraud, L, Carivenc, C, Mourey, L.
登録日2020-12-02
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
8PFE
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BU of 8pfe by Molmil
Crystal Structure of an Hexavariant of the b1 Domain of Human Neuropilin-1 in Complex with the KDKPPR Peptide
分子名称: ACETATE ION, LYS-ASP-LYS-PRO-PRO-ARG, Neuropilin-1
著者Jelsch, C, Favier, F, Didierjean, C.
登録日2023-06-15
公開日2023-08-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献New Crystal Form of Human Neuropilin-1 b1 Fragment with Six Electrostatic Mutations Complexed with KDKPPR Peptide Ligand.
Molecules, 28, 2023
4J74
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The 1.2A crystal structure of humanized Xenopus MDM2 with RO0503918 - a nutlin fragment
分子名称: (4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Janson, C, Lukacs, C, Kammlott, U, Graves, B.
登録日2013-02-12
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor.
ACS Med Chem Lett, 4, 2013
4J7E
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BU of 4j7e by Molmil
The 1.63A crystal structure of humanized Xenopus MDM2 with a nutlin fragment, RO5524529
分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(4S,5R)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone
著者Janson, C, Lukacs, C, Graves, B.
登録日2013-02-13
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor.
ACS Med Chem Lett, 4, 2013

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