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6FI1
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BU of 6fi1 by Molmil
Crystal structure of human BAZ2B PHD zinc finger in complex with Fr23
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION, ~{N}-(4-aminophenyl)-2-azanyl-ethanamide
著者Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
登録日2018-01-16
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
7QCQ
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BU of 7qcq by Molmil
VHH Z70 in interaction with PHF6 Tau peptide
分子名称: GLYCEROL, Tau 301-312, VHH Z70
著者Danis, C, Dupre, E, Zejneli, O, Caillierez, R, Arrial, A, Begard, S, Loyens, A, Mortelecque, J, Cantrelle, F.-X, Hanoulle, X, Rain, J.-C, Colin, M, Buee, L, Landrieu, I.
登録日2021-11-25
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of Tau seeding by targeting Tau nucleation core within neurons with a single domain antibody fragment.
Mol.Ther., 30, 2022
1Q0H
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BU of 1q0h by Molmil
Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CITRIC ACID, ...
著者Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
登録日2003-07-16
公開日2004-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
1BWY
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BU of 1bwy by Molmil
NMR STUDY OF BOVINE HEART FATTY ACID BINDING PROTEIN
分子名称: PROTEIN (HEART FATTY ACID BINDING PROTEIN)
著者Lassen, D, Luecke, C, Kveder, M, Mesgarzadeh, A, Schmidt, J.M, Specht, B, Lezius, A, Spener, F, Rueterjans, H.
登録日1998-09-29
公開日1998-10-07
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of bovine heart fatty-acid-binding protein with bound palmitic acid, determined by multidimensional NMR spectroscopy.
Eur.J.Biochem., 230, 1995
3ZRY
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BU of 3zry by Molmil
Rotor architecture in the F(1)-c(10)-ring complex of the yeast F-ATP synthase
分子名称: ATP SYNTHASE CATALYTIC SECTOR F1 EPSILON SUBUNIT, ATP SYNTHASE SUBUNIT 9, MITOCHONDRIAL, ...
著者Giraud, M.-F, Dautant, A.
登録日2011-06-21
公開日2012-01-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (6.5 Å)
主引用文献Rotor Architecture in the Yeast and Bovine F(1)-C-Ring Complexes of F-ATP Synthase.
J.Struct.Biol., 177, 2012
7O33
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BU of 7o33 by Molmil
Crystal structure of the anti-PAS Fab 3.1 in complex with its epitope peptide
分子名称: APSA epitope peptide, anti-PAS Fab 3.1 chimeric heavy chain, anti-PAS Fab 3.1 chimeric light chain
著者Schilz, J, Skerra, A.
登録日2021-04-01
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
2VJ6
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BU of 2vj6 by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
7QE7
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BU of 7qe7 by Molmil
High-resolution structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D.
登録日2021-12-01
公開日2022-01-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献High-resolution structure of the Anaphase-promoting complex (APC/C) bound to co-activator Cdh1
To Be Published
6R7Y
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BU of 6r7y by Molmil
CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (low Ca2+, closed form)
分子名称: Anoctamin-10, CALCIUM ION
著者Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-03-29
公開日2019-05-01
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
2K54
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BU of 2k54 by Molmil
Solution NMR structure of protein Atu0742 from Agrobacterium Tumefaciens. Northeast Structural Genomics Consortium (NESG0) target AtT8. Ontario Center for Structural Proteomics target ATC0727 .
分子名称: Protein Atu0742
著者Lemak, A, Yee, A, Gutmanas, A, Fares, C, Semesi, A, Arrowsmith, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2008-06-24
公開日2008-08-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of protein ATC0727 from Agrobacterium Tumefaciens.
To be Published
2KDB
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BU of 2kdb by Molmil
Solution Structure of human ubiquitin-like domain of Herpud2_9_85, Northeast Structural Genomics Consortium (NESG) target HT53A
分子名称: Homocysteine-responsive endoplasmic reticulum-resident ubiquitin-like domain member 2 protein
著者Wu, B, Yee, A, Fares, C, Lemak, A, Gutmanas, A, Doherty, R, Semesi, A, Dhe-Paganon, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2009-01-06
公開日2009-02-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of human homocysteine-inducible, endoplasmic reticulum stress-inducible, ubiquitin-like domain member 2 (Herpud2 or Herp)
To be Published
2XAF
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BU of 2xaf by Molmil
Crystal structure of LSD1-CoREST in complex with para-bromo-(+)-cis-2- phenylcyclopropyl-1-amine
分子名称: 3-(4-BROMOPHENYL)PROPANAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
著者Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A.
登録日2010-03-31
公開日2010-05-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
2XAQ
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BU of 2xaq by Molmil
Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2584, 13b)
分子名称: 3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
著者Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A.
登録日2010-03-31
公開日2010-05-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
4J70
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BU of 4j70 by Molmil
Yeast 20S proteasome in complex with the belactosin derivative 3e
分子名称: Proteasome component C1, Proteasome component C11, Proteasome component C5, ...
著者Kawamura, S, Unno, Y, List, A, Tanaka, M, Sasaki, T, Arisawa, M, Asai, A, Groll, M, Shuto, S.
登録日2013-02-12
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potent Proteasome Inhibitors Derived from the Unnatural cis-Cyclopropane Isomer of Belactosin A: Synthesis, Biological Activity, and Mode of Action.
J.Med.Chem., 56, 2013
4J9I
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BU of 4j9i by Molmil
Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P17
分子名称: GLYCEROL, P17, Tyrosine-protein kinase ABL1
著者Camara-Artigas, A.
登録日2013-02-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P17
To be Published
6SPX
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BU of 6spx by Molmil
Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502
分子名称: 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid, ARC1502, Casein kinase II subunit alpha
著者Niefind, K, Schnitzler, A.
登録日2019-09-03
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2.
Bioorg.Chem., 96, 2020
4YDX
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BU of 4ydx by Molmil
Crystal structure of cisplatin bound to a human copper chaperone (monomer) - new refinement
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, Copper transport protein ATOX1, PLATINUM (II) ION, ...
著者Shabalin, I.G, Boal, A.K, Dauter, Z, Jaskolski, M, Minor, W, Rosenzweig, A.C, Wlodawer, A.
登録日2015-02-23
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
4H02
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BU of 4h02 by Molmil
Crystal structure of P. falciparum Lysyl-tRNA synthetase
分子名称: Lysyl-tRNA synthetase
著者Khan, S, Garg, A, Sharma, A.
登録日2012-09-07
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.905 Å)
主引用文献Structural analysis of malaria-parasite lysyl-tRNA synthetase provides a platform for drug development.
Acta Crystallogr.,Sect.D, 69, 2013
4YEA
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BU of 4yea by Molmil
Crystal structure of cisplatin bound to a human copper chaperone (dimer) - new refinement
分子名称: COPPER (II) ION, Copper transport protein ATOX1, SULFATE ION
著者Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2015-02-23
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
7MWQ
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BU of 7mwq by Molmil
Structure of De Novo designed beta sheet heterodimer LHD29A53/B53
分子名称: LHD29A53, LHD29B53
著者Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D.
登録日2021-05-17
公開日2022-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
7MWR
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BU of 7mwr by Molmil
Structure of De Novo designed beta sheet heterodimer LHD101A53/B4
分子名称: LHD101A54, LHD101B4, MALONATE ION
著者Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D.
登録日2021-05-17
公開日2022-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
4J9F
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BU of 4j9f by Molmil
Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0
分子名称: GLYCEROL, P0, SULFATE ION, ...
著者Camara-Artigas, A.
登録日2013-02-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.094 Å)
主引用文献Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0
To be Published
2VGF
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BU of 2vgf by Molmil
HUMAN ERYTHROCYTE PYRUVATE KINASE: T384M mutant
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, ...
著者Valentini, G, Chiarelli, L.R, Fortin, R, Dolzan, M, Galizzi, A, Abraham, D.J, Wang, C, Bianchi, P, Zanella, A, Mattevi, A.
登録日2007-11-12
公開日2007-11-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure and Function of Human Erythrocyte Pyruvate Kinase. Molecular Basis of Nonspherocytic Hemolytic Anemia.
J.Biol.Chem., 277, 2002
3ZF3
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BU of 3zf3 by Molmil
Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase Y84I mutant).
分子名称: DUTPASE, NICKEL (II) ION
著者Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
登録日2012-12-10
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
1JVT
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CRYSTAL STRUCTURE OF RIBONUCLEASE A (LIGAND-FREE FORM)
分子名称: RIBONUCLEASE A
著者Vitagliano, L, Merlino, A, Zagari, A, Mazzarella, L.
登録日2001-08-31
公開日2002-06-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Reversible Substrate-Induced Domain Motions in Ribonuclease A
Proteins, 46, 2002

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