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7A71
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BU of 7a71 by Molmil
Structure of G132S BlaC from Mycobacterium tuberculosis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, GLYCEROL, ...
著者Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
登録日2020-08-27
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
7A5T
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BU of 7a5t by Molmil
Crystal structure of A55E mutant of BlaC from Mycobacterium tuberculosis
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION
著者Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
登録日2020-08-21
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
4XBG
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BU of 4xbg by Molmil
Crystal structure of human 4E10 Fab in complex with phosphatidic acid (06:0 PA): 2.73 A resolution
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 4E10 Fab heavy chain, 4E10 Fab light chain, ...
著者Irimia, A, Stanfield, R.L, Wilson, I.A.
登録日2014-12-16
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
5I4N
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BU of 5i4n by Molmil
Crystal Structure of the E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Shiau, A.K, Motamedi, A.
登録日2016-02-12
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Uncoupling JAK2 V617F activation from cytokine-induced signalling by modulation of JH2 alpha C helix.
Biochem.J., 473, 2016
3VXT
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BU of 3vxt by Molmil
T36-5 TCR specific for HLA-A24-Nef134-10
分子名称: T36-5 TCR alpha chain, T36-5 TCR beta chain
著者Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A.
登録日2012-09-20
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection
SCI REP, 3, 2013
7NAA
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BU of 7naa by Molmil
Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain
分子名称: (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, Non-specific serine/threonine protein kinase
著者Oliveira, A.A, Cabarca, S, dos Reis, C.V, Takarada, J.E, Counago, R.M, Balan, A, Structural Genomics Consortium (SGC)
登録日2021-06-21
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of the Mycobacterium tuberculosis c PknF and conformational changes induced in forkhead-associated regulatory domains.
Curr Res Struct Biol, 3, 2021
3N1E
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BU of 3n1e by Molmil
Vps54 C-terminal domain
分子名称: GLYCEROL, MAGNESIUM ION, Vacuolar protein sorting-associated protein 54
著者Perez-Victoria, F.J, Abascal-Palacios, G, Tascon, I, Kajava, A, Pioro, E.P, Bonifacino, J.S, Hierro, A.
登録日2010-05-15
公開日2010-07-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structural basis for the wobbler mouse neurodegenerative disorder caused by mutation in the Vps54 subunit of the GARP complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
6ZQ2
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BU of 6zq2 by Molmil
Cationic trypsin in complex with a derivative of benzamidine
分子名称: CALCIUM ION, Cationic trypsin, D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2020-07-09
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Cationic trypsin in complex with a derivative of benzamidine
To be published
8C7J
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BU of 8c7j by Molmil
Phage display derived serum albumin binding knob domain engineered within a novel VH framework 3 bispecific antibody format
分子名称: CHLORIDE ION, Fab heavy chain with knob domain, Fab light chain
著者Adams, R, Macpherson, A.
登録日2023-01-16
公開日2023-06-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Serum albumin binding knob domains engineered within a V H framework III bispecific antibody format and as chimeric peptides.
Front Immunol, 14, 2023
3IJW
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BU of 3ijw by Molmil
Crystal structure of BA2930 in complex with CoA
分子名称: ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION, ...
著者Klimecka, M.M, Chruszcz, M, Skarina, T, Onopryienko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-08-05
公開日2009-10-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis.
J.Mol.Biol., 410, 2011
8C7V
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BU of 8c7v by Molmil
Phage display derived serum albumin binding knob domain engineered within a novel VH framework 3 bispecific antibody format
分子名称: Fab heavy chain, Fab light chain
著者Adams, R, Macpherson, A.
登録日2023-01-17
公開日2023-06-07
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Serum albumin binding knob domains engineered within a V H framework III bispecific antibody format and as chimeric peptides.
Front Immunol, 14, 2023
5AP3
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BU of 5ap3 by Molmil
Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
分子名称: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE, ...
著者Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S.
登録日2015-09-14
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
5ARB
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BU of 5arb by Molmil
Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase
分子名称: 5-methyl-2-(5-methylpyridin-2-yl)pyridine, CALCIUM ION, CHLORIDE ION, ...
著者Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G.
登録日2015-09-24
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Cooperative Bio-Metallic Selectivity in a Tailored Protease Enables Creation of a C-C Cross-Coupling Heckase
To be Published
6ZUS
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BU of 6zus by Molmil
Crystal structure of the effector Ecp11-1 from Fulvia fulva
分子名称: DI(HYDROXYETHYL)ETHER, Extracellular protein 11-1, GLYCEROL, ...
著者Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I.
登録日2020-07-23
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
5ID9
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BU of 5id9 by Molmil
Crystal structure of equine serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
分子名称: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, FORMIC ACID, MALONATE ION, ...
著者Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
登録日2016-02-24
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
6ZUQ
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BU of 6zuq by Molmil
Crystal structure of the effector Ecp11-1 from Fulvia fulva
分子名称: Extracellular protein 11-1, GLYCEROL, ZINC ION
著者Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I.
登録日2020-07-23
公開日2021-08-04
最終更新日2022-07-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
3VXR
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BU of 3vxr by Molmil
The complex between H27-14 TCR and HLA-A24 bound to HIV-1 Nef134-10(wt) peptide
分子名称: 10-mer peptide from Protein Nef, Beta-2-microglobulin, H27-14 TCR alpha chain, ...
著者Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A.
登録日2012-09-20
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection
SCI REP, 3, 2013
5IFS
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BU of 5ifs by Molmil
Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL that disrupts functional p97 hexamers and induces cell death
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Roske, Y, Arumughan, A, Heinemann, U, Wanker, E.
登録日2016-02-26
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Nat Commun, 7, 2016
7ZE0
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BU of 7ze0 by Molmil
Solution structure of the PulM C-terminal domain from Klebsiella oxytoca
分子名称: Type II secretion system protein M
著者Lopez-Castilla, A, Bardiaux, B, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
登録日2022-03-30
公開日2023-01-18
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
8CP5
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BU of 8cp5 by Molmil
Structure of Aspartate-N-hydroxylase (FzmM)from Streptomyces sp. V2: complex with NADPH and Sulphate
分子名称: DI(HYDROXYETHYL)ETHER, FAD-binding protein, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rotilio, L, Mattevi, A.
登録日2023-03-01
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献A biosynthetic aspartate N-hydroxylase performs successive oxidations by holding intermediates at a site away from the catalytic center.
J.Biol.Chem., 299, 2023
4XAW
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BU of 4xaw by Molmil
Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 gp41: Crystals cryoprotected with phosphatidic acid (08:0 PA)
分子名称: 4E10 Fab heavy chain, 4E10 Fab light chain, FRAGMENT OF HIV GLYCOPROTEIN (GP41) including the MPER region 671-683, ...
著者Irimia, A, Stanfield, R.L, Wilson, I.A.
登録日2014-12-15
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
5MNG
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BU of 5mng by Molmil
Cationic trypsin in complex with benzamidine (deuterated sample at 100 K)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
3NI5
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BU of 3ni5 by Molmil
Carbonic anhydrase inhibitor: C1 family
分子名称: 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T.
登録日2010-06-15
公開日2011-06-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action
Bioorg.Med.Chem.Lett., 21, 2011
8CP2
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BU of 8cp2 by Molmil
Structure of Aspartate-N-hydroxylase (FzmM)from Streptomyces sp. V2: complex with NADPH and L-aspartate
分子名称: 3-NITROPROPANOIC ACID, ASPARTIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Rotilio, L, Mattevi, A.
登録日2023-03-01
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A biosynthetic aspartate N-hydroxylase performs successive oxidations by holding intermediates at a site away from the catalytic center.
J.Biol.Chem., 299, 2023
8CPH
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BU of 8cph by Molmil
Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 (inactive form)
分子名称: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-03-02
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023

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