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4PMN
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BU of 4pmn by Molmil
Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c in complex with MES (monoclinic crystal form I)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, SULFATE ION, ...
著者Bellinzoni, M, Haouz, A, Shepard, W, Alzari, P.M.
登録日2014-05-22
公開日2014-10-08
最終更新日2014-12-10
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural studies suggest a peptidoglycan hydrolase function for the Mycobacterium tuberculosis Tat-secreted protein Rv2525c.
J.Struct.Biol., 188, 2014
4PCD
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BU of 4pcd by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS OCh 114 (RD1_1052, TARGET EFI-510238) WITH BOUND L-GALACTONATE
分子名称: C4-dicarboxylate transport system, substrate-binding protein, putative, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-04-15
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
6R7D
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BU of 6r7d by Molmil
Crystal structure of LTC4S in complex with AZ13690257
分子名称: (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ...
著者Kack, H, Ek, M.
登録日2019-03-28
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
6R7S
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BU of 6r7s by Molmil
Human Serum Albumin, complexed with Sulfasalazine
分子名称: 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Schreuder, H.A, Liesum, A.
登録日2019-03-29
公開日2020-04-08
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Resolving Binding Events on the Multifunctional Human Serum Albumin.
Chemmedchem, 15, 2020
6REG
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BU of 6reg by Molmil
Crystal structure of Pizza6-S with Zn2+
分子名称: GLYCEROL, Pizza6-S, ZINC ION
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
6REK
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BU of 6rek by Molmil
Crystal structure of Pizza6-SH with Cu2+
分子名称: COPPER (II) ION, GLYCEROL, Pizza6-SH
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
6R9H
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BU of 6r9h by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with fragment C58
分子名称: (2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid, ACETATE ION, PHOSPHATE ION, ...
著者Feracci, M, Barral, K.
登録日2019-04-03
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pharmacological inhibition of syntenin PDZ2 domain impairs breast cancer cell activities and exosome loadifing with syndecan and EpCAM cargo.
J Extracell Vesicles, 10, 2020
6R48
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BU of 6r48 by Molmil
Crystal structure of LPOR (Synechocystis) complexed with NADPH at 1.87A resolution.
分子名称: CHLORIDE ION, Light-dependent protochlorophyllide reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhou, A, Feng, L.
登録日2019-03-22
公開日2019-10-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6RAR
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BU of 6rar by Molmil
Pmar-Lig_PreS3-Mn
分子名称: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA (5'-D(*TP*TP*CP*CP*GP*AP*CP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ...
著者Leiros, H.K.S, Williamson, A.
登録日2019-04-07
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.785 Å)
主引用文献Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Nucleic Acids Res., 47, 2019
6R5J
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BU of 6r5j by Molmil
New MAX Effector from Magnaporthe oryzae
分子名称: HEXAETHYLENE GLYCOL, Uncharacterized protein
著者Hoh, F, Padilla, A, De Guillen, K.
登録日2019-03-25
公開日2020-05-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献New MAX Effector from Magnaporthe oryzae
To Be Published
6R5L
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BU of 6r5l by Molmil
Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-03-25
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.884 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RBW
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BU of 6rbw by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(4-azidobutyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC6
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BU of 6rc6 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6R6D
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BU of 6r6d by Molmil
[Ru(TAP)2(11,12-CN2-dppz)]2+ bound to d(TCGGCGCCGA)2
分子名称: BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), Ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine), ...
著者McQuaid, K.T, Hall, J.P, Cardin, C.J.
登録日2019-03-27
公開日2020-05-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.838 Å)
主引用文献X-ray Crystal Structures Show DNA Stacking Advantage of Terminal Nitrile Substitution in Ru-dppz Complexes.
Chemistry, 24, 2018
6REI
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BU of 6rei by Molmil
Crystal structure of Pizza6-S with Cd2+
分子名称: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Artificial beta-Propeller Protein-based Hydrolases
To Be Published
6REM
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BU of 6rem by Molmil
Crystal structure of Pizza6-SH with Sulphate ion
分子名称: Pizza6-SH, SULFATE ION
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Artificial beta-Propeller Protein-based Hydrolases
To Be Published
6R4D
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BU of 6r4d by Molmil
Aurora-A in complex with shape-diverse fragment 58
分子名称: (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者Bayliss, R, McIntyre, P.J.
登録日2019-03-22
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.009 Å)
主引用文献Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
6R5N
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BU of 6r5n by Molmil
The crystal structure of Glycoside Hydrolase BglX from P. aeruginosa in complex with 1-deoxynojirimycin
分子名称: 1-DEOXYNOJIRIMYCIN, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R6T
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BU of 6r6t by Molmil
Crystal structure of mouse cis-aconitate decarboxylase
分子名称: Cis-aconitate decarboxylase
著者Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W.
登録日2019-03-28
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.535 Å)
主引用文献Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6R7B
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BU of 6r7b by Molmil
Crystal structure of Csx1 in complex with cyclic oligoadenylate cOA4 conformation 1
分子名称: CRISPR-associated (Cas) DxTHG family, RNA (5'-R(P*AP*AP*AP*A)-3')
著者Molina, R, Montoya, G, Sofos, N, Stella, S.
登録日2019-03-28
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure of Csx1-cOA4complex reveals the basis of RNA decay in Type III-B CRISPR-Cas.
Nat Commun, 10, 2019
6R9W
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BU of 6r9w by Molmil
Crystal structure of InhA in complex with AP-124 inhibitor
分子名称: (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Takebayashi, Y, Hinchliffe, P, Spencer, J.
登録日2019-04-04
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.
J.Chem.Inf.Model., 60, 2020
6R8M
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BU of 6r8m by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikE with an engineered HMA domain of Pikp-1 from rice (Oryza sativa)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, AVR-Pik protein, CHLORIDE ION, ...
著者De la Concepcion, J.C, Franceschetti, M, Banfield, M.J.
登録日2019-04-02
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Protein engineering expands the effector recognition profile of a rice NLR immune receptor.
Elife, 8, 2019
6RB0
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BU of 6rb0 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE
分子名称: EH1AB1, GLYCEROL, methyl hydrogen (R)-hexylphosphonate
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2019-04-08
公開日2019-12-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
6RBS
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BU of 6rbs by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-bromanyl-9-pent-4-ynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.324 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBZ
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BU of 6rbz by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020

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