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3RHG
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BU of 3rhg by Molmil
Crystal structure of amidohydrolase pmi1525 (target efi-500319) from proteus mirabilis hi4320
分子名称: BENZOIC ACID, CACODYLATE ION, Putative phophotriesterase, ...
著者Patskovsky, Y, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2011-04-11
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal Structure of Amidohydrolase Pmi1525 from Proteus Mirabilis Hi4320
To be Published
3PMI
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PWWP Domain of Human Mutated Melanoma-Associated Antigen 1
分子名称: DI(HYDROXYETHYL)ETHER, PWWP domain-containing protein MUM1, SULFATE ION, ...
著者Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-11-17
公開日2010-12-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
3PFS
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PWWP Domain of Human Bromodomain and PHD finger-containing protein 3
分子名称: Bromodomain and PHD finger-containing protein 3, SULFATE ION, ZINC ION
著者Lam, R, Zeng, H, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-10-29
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
3RR1
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BU of 3rr1 by Molmil
Crystal structure of enolase PRK14017 (target EFI-500653) from Ralstonia pickettii 12J
分子名称: CHLORIDE ION, D-MALATE, Putative D-galactonate dehydratase
著者Patskovsky, Y, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2011-04-28
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of enolase PRK14017 from Ralstonia pickettii
To be Published
3RTP
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BU of 3rtp by Molmil
Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration
分子名称: Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide
著者Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I.
登録日2011-05-03
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
3O9L
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BU of 3o9l by Molmil
Design and optimisation of new piperidines as renin inhibitors
分子名称: (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Corminboeuf, O, Bezencon, O, Grisostomi, C, Remen, L, Richard-Bildstein, S, Bur, D, Prade, L, Hess, P, Strickner, P, Treiber, A.
登録日2010-08-04
公開日2011-03-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3L9M
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BU of 3l9m by Molmil
Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18
分子名称: (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Huang, X.
登録日2010-01-05
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3L9N
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BU of 3l9n by Molmil
crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27
分子名称: (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Huang, X.
登録日2010-01-05
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
5HIY
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BU of 5hiy by Molmil
Crystal structure of PEDV NSP9 Mutant-C59A
分子名称: Non-structural protein 9
著者Deng, F, Peng, G.
登録日2016-01-12
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity.
J.Virol., 92, 2018
7DQL
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BU of 7dql by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol
分子名称: 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
5HIZ
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BU of 5hiz by Molmil
The structure of PEDV NSP9
分子名称: Non-structural protein 9
著者Deng, F, Peng, G.
登録日2016-01-12
公開日2017-01-25
最終更新日2019-07-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity.
J.Virol., 92, 2018
5HIS
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BU of 5his by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophene-2-carboxylic acid
分子名称: 3-methylthiophene-2-carboxylic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
5HIP
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BU of 5hip by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(pyridin-3-yl)benzoic acid
分子名称: 2-(pyridin-3-yl)benzoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
5HIO
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BU of 5hio by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
分子名称: 3-(2-aminophenyl)-3-oxopropanoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
5HIQ
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BU of 5hiq by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(1H-pyrrol-1-yl)benzoic acid
分子名称: 2-pyrrol-1-ylbenzoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
3L9L
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BU of 3l9l by Molmil
Crystal structure of pka with compound 36
分子名称: 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Huang, X.
登録日2010-01-05
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
5JXC
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BU of 5jxc by Molmil
SynGAP Coiled-coil trimer
分子名称: Ras/Rap GTPase-activating protein SynGAP
著者Shang, Y, Zhang, M.
登録日2016-05-13
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phase Transition in Postsynaptic Densities Underlies Formation of Synaptic Complexes and Synaptic Plasticity.
Cell, 166, 2016
7PL9
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BU of 7pl9 by Molmil
Cryo-EM structure of Bestrhodopsin (rhodopsin-rhodopsin-bestrophin) complex
分子名称: RETINAL, Rhodopsin
著者Matzov, D, Kaczmarczyk, I, Shalev-Benami, M.
登録日2021-08-29
公開日2022-07-06
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Rhodopsin-bestrophin fusion proteins from unicellular algae form gigantic pentameric ion channels.
Nat.Struct.Mol.Biol., 29, 2022
8OEP
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BU of 8oep by Molmil
Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide
分子名称: Protein E6, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3
著者Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C.
登録日2023-03-11
公開日2023-05-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity.
Front Mol Biosci, 10, 2023
5JXB
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BU of 5jxb by Molmil
PSD-95 extended PDZ3 in complex with SynGAP PBM
分子名称: Disks large homolog 4,SynGAP
著者Shang, Y, Zhang, M.
登録日2016-05-13
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Phase Transition in Postsynaptic Densities Underlies Formation of Synaptic Complexes and Synaptic Plasticity.
Cell, 166, 2016
1J5S
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BU of 1j5s by Molmil
Crystal structure of uronate isomerase (TM0064) from Thermotoga maritima at 2.85 A resolution
分子名称: URONATE ISOMERASE
著者Joint Center for Structural Genomics (JCSG)
登録日2002-07-02
公開日2002-07-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of uronate isomerase (TM0064) from Thermotoga maritima at 2.85 A resolution.
Proteins, 53, 2003
7BFA
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BU of 7bfa by Molmil
4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-02
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BG5
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4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-05
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.428 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BHH
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BU of 7bhh by Molmil
4-(2-(3-(4-iodophenyl)selenoureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-11
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
6Q7U
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BU of 6q7u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with HHQ
分子名称: 2-heptyl-1~{H}-quinolin-4-one, Transcriptional regulator MvfR
著者Witzgall, F, Xu, N, Blankenfeldt, W.
登録日2018-12-13
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020

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件を2024-08-07に公開中

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