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5MGK
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Crystal Structure of BAZ2A bromodomain in complex with 4-propionyl-pyrrole derivative 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGT
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Complex of human NKR-P1 and LLT1 in deglycosylated forms
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D, CHLORIDE ION, ...
著者Blaha, J, Skalova, T, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J.
登録日2016-11-22
公開日2018-06-06
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 the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
5MGR
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Human receptor NKR-P1 in glycosylated form, extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor subfamily B member 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Skalova, T, Blaha, J, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J.
登録日2016-11-22
公開日2018-06-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
6R3X
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BU of 6r3x by Molmil
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with piperacillin
分子名称: Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
著者Bellini, D, Dowson, C.G.
登録日2019-03-21
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
5MGX
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The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP8, yeast HSP90 C-terminus
著者Roe, S.M, Blundell, K.L, Prodromou, C.
登録日2016-11-22
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90.
PLoS ONE, 12, 2017
6R42
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Structure of R504C mutant of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with piperacillin
分子名称: Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
著者Bellini, D, Dowson, C.G.
登録日2019-03-21
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
5MHC
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Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, LYS-LEU-MET-PHE-LYS-TPO-GLU-GLY-PRO-ASP-SER-ASP, ...
著者Andrei, S, Ottmann, C, Leysen, S.
登録日2016-11-24
公開日2017-10-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
6R4A
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Aurora-A in complex with shape-diverse fragment 55
分子名称: 2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide, 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 (1.937 Å)
主引用文献Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
6R4K
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Structure of beta-glucosidase A from Paenibacillus polymyxa complexed with a monovalent inhibitor
分子名称: (2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol, Beta-glucosidase A
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2019-03-22
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis of the inhibition of GH1 beta-glucosidases by multivalent pyrrolidine iminosugars.
Bioorg.Chem., 89, 2019
5MI5
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BtGH84 mutant with covalent modification by MA3 in complex with PUGNAc
分子名称: CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ...
著者Darby, J.F, Davies, G.J, Hubbard, R.E.
登録日2016-11-27
公開日2017-11-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
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
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
5MKU
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BU of 5mku by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 4 and a fragment of the TIF2 co-activator.
分子名称: (~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha
著者Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C.
登録日2016-12-05
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
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
6R7S
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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
6RC9
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P1 Mycoplasma pneumoniae
分子名称: Adhesin P1
著者Vizarraga, D, Aparicio, D, Illanes, R, Fita, I.
登録日2019-04-11
公開日2020-11-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
5MMD
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BU of 5mmd by Molmil
TMB-1. Structural insights into TMB-1 and the role of residue 119 and 228 in substrate and inhibitor binding
分子名称: CHLORIDE ION, Metallo-beta-lactamase 1, ZINC ION
著者Skagseth, S, Christopeit, T, Akhter, S, Bayer, A, Samuelsen, O, Leiros, H.-K.S.
登録日2016-12-09
公開日2017-03-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Insights into TMB-1 and the Role of Residues 119 and 228 in Substrate and Inhibitor Binding.
Antimicrob. Agents Chemother., 61, 2017
5MQS
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BU of 5mqs by Molmil
Sialidase BT_1020
分子名称: Beta-L-arabinobiosidase, CALCIUM ION, SODIUM ION, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
6R9H
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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
5MR4
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Ligand-receptor complex.
分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, GDNF family receptor alpha-2, ...
著者Sandmark, J, Oster, L, Aagaard, A, Roth, R.G, Dahl, G.
登録日2016-12-21
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
5MO9
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Structure of human TrkB receptor ligand binding domain in complex with the Fab frgment of antibody AB20
分子名称: AB20 Fab heavy chain, AB20 Fab light chain, BDNF/NT-3 growth factors receptor
著者Hoerer, S.
登録日2016-12-14
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Pharmaceutical Characterization of Tropomyosin Receptor Kinase B-Agonistic Antibodies on Human Induced Pluripotent Stem (hiPS) Cell-Derived Neurons.
J. Pharmacol. Exp. Ther., 361, 2017
5MRL
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Crystal structure of human monoamine oxidase B (MAO B) in complex with N(Furan2ylmethyl)Nmethylprop2yn1amine (F2MPA)
分子名称: (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE
著者Binda, C, De Deurwaerdere, P, Corne, R, Leone, C, Valeri, A, Valoti, M, Ramsay, R.R, Fall, Y, Marco-Contelles, J.
登録日2016-12-23
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Comparative Analysis of the Neurochemical Profile and MAO Inhibition Properties of N-(Furan-2-ylmethyl)-N-methylprop-2-yn-1-amine.
ACS Chem Neurosci, 8, 2017
5MOI
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Crystal structure of human IgE-Fc epsilon 3-4
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ...
著者Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
登録日2016-12-14
公開日2018-01-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017

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