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5MFH
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BU of 5mfh by Molmil
Designed armadillo repeat protein YIIIM5AII in complex with peptide (RR)5
分子名称: (RR)5, CALCIUM ION, YIIIM5AII
著者Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A.
登録日2016-11-18
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
4Y7D
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BU of 4y7d by Molmil
Alpha/beta hydrolase fold protein from Nakamurella multipartita
分子名称: Alpha/beta hydrolase fold protein, CHLORIDE ION, SODIUM ION
著者Cuff, M.E, OSIPIUK, J, Holowicki, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-02-14
公開日2015-02-25
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Alpha/beta hydrolase fold protein from Nakamurella multipartita.
to be published
6JWW
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BU of 6jww by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613T triple mutant with STZ-DHP
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ...
著者Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
登録日2019-04-21
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
4YCS
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BU of 4ycs by Molmil
Crystal structure of putative lipoprotein from Peptoclostridium difficile 630 (fragment)
分子名称: ACETATE ION, GLYCEROL, SODIUM ION, ...
著者Michalska, K, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-02-20
公開日2015-03-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of putative lipoprotein from Peptoclostridium difficile 630 (fragment)
To Be Published
6CJZ
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BU of 6cjz by Molmil
Solution Structure of Amebosin
分子名称: Amoebiasin-1
著者Mendoza, A, Flores-Solis, D, Del Rio Portilla, F, Brieba de Castro, L.
登録日2018-02-27
公開日2019-02-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the inhibitor of cysteine proteases 1 from Entamoeba histolytica reveals a possible auto regulatory mechanism.
Biochim Biophys Acta Proteins Proteom, 1868, 2020
6HG4
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BU of 6hg4 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F
分子名称: Interleukin-17 receptor C, Interleukin-17F
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-22
公開日2020-03-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
4YE5
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BU of 4ye5 by Molmil
The crystal structure of a peptidoglycan synthetase from Bifidobacterium adolescentis ATCC 15703
分子名称: ACETATE ION, GLYCEROL, Peptidoglycan synthetase penicillin-binding protein 3
著者Cuff, M, Tan, K, Joachimiak, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-02-23
公開日2015-03-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献The crystal structure of a peptidoglycan synthetase from Bifidobacterium adolescentis ATCC 15703
To Be Published
6CD1
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BU of 6cd1 by Molmil
Crystal structure of Medicago truncatula serine hydroxymethyltransferase 3 (MtSHMT3), complexes with reaction intermediates
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCINE, ...
著者Ruszkowski, M, Sekula, B, Ruszkowska, A, Dauter, Z.
登録日2018-02-07
公開日2018-05-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Chloroplastic Serine Hydroxymethyltransferase FromMedicago truncatula: A Structural Characterization.
Front Plant Sci, 9, 2018
6HES
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BU of 6hes by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT050
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-08-20
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.128 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
4YF1
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BU of 4yf1 by Molmil
1.85 angstrom crystal structure of lmo0812 from Listeria monocytogenes EGD-e
分子名称: CITRATE ANION, Lmo0812 protein, SODIUM ION
著者Krishna, S.N, Light, S.H, Filippova, E.V, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2015-02-24
公開日2015-03-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1.85 angstrom crystal structure of lmo0812 from Listeria monocytogenes EGD-e
To Be Published
6HEX
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BU of 6hex by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATMM006
分子名称: 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-08-20
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.413 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6HH5
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BU of 6hh5 by Molmil
ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with ADP-HPM
分子名称: ADP-ribosylhydrolase like 2, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, GLYCEROL, ...
著者Ariza, A.
登録日2018-08-24
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献(ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition.
Cell Chem Biol, 25, 2018
6CEH
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BU of 6ceh by Molmil
Design, Synthesis, X-ray and Biological Activities of Selenides Bearing the Benzenesulfonamide Moiety as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology
分子名称: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S, Angeli, A, di Cesare Mannelli, L, Trallori, E, Ghelardini, C, Carta, F, Supuran, C.T.
登録日2018-02-11
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Design, Synthesis, and X-ray of Selenides as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology.
ACS Med Chem Lett, 9, 2018
4YEN
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BU of 4yen by Molmil
Room temperature X-ray diffraction studies of cisplatin binding to HEWL in DMSO media after 14 months of crystal storage - new refinement
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2015-02-24
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 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
4YHH
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BU of 4yhh by Molmil
Crystal structure of the 30S ribosomal subunit from Thermus thermophilus in complex with tigecycline
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Schedlbauer, A, Kaminishi, T, Ochoa-Lizarralde, B, Dhimole, N, Zhou, S, Lopez-Alonso, J.P, Connell, S.R, Fucini, P.
登録日2015-02-27
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.417 Å)
主引用文献Structural characterization of an alternative mode of tigecycline binding to the bacterial ribosome.
Antimicrob.Agents Chemother., 59, 2015
6HGA
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BU of 6hga by Molmil
Crystal Structure of the human IL-17RC D2-D3-D4 domains in complex with an anti-APP tag Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor C, anti-APP-tag Fab heavy-chain, ...
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2020-03-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6HGZ
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BU of 6hgz by Molmil
ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with ADP-ribose
分子名称: ADP-ribosylhydrolase like 2, GLYCEROL, MAGNESIUM ION, ...
著者Ariza, A.
登録日2018-08-23
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献(ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition.
Cell Chem Biol, 25, 2018
6HPR
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BU of 6hpr by Molmil
Crystal structure of cIAP1 RING domain bound to UbcH5B-Ub and a non-covalent Ub
分子名称: Baculoviral IAP repeat-containing protein 2, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D2, ...
著者Patel, A, Huang, D.T.
登録日2018-09-21
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into non-covalent ubiquitin activation of the cIAP1-UbcH5B∼ubiquitin complex.
J. Biol. Chem., 294, 2019
6HPX
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BU of 6hpx by Molmil
Crystal structure of ENL (MLLT1) in complex with compound 19
分子名称: 1,2-ETHANEDIOL, Protein ENL, ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
著者Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-09-22
公開日2018-11-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
6HR3
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BU of 6hr3 by Molmil
Human Carbonic Anhydrase II in complex with 4-Propylbenzenesulfonamide
分子名称: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-09-26
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
5MPW
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BU of 5mpw by Molmil
Crystal structure of Arabidopsis thaliana RNA editing factor MORF1
分子名称: BROMIDE ION, Multiple organellar RNA editing factor 1, mitochondrial, ...
著者Haag, S, Schindler, M, Berndt, L, Brennicke, A, Takenaka, M, Weber, G.
登録日2016-12-19
公開日2017-02-22
最終更新日2017-12-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9.
Nucleic Acids Res., 45, 2017
6HRJ
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BU of 6hrj by Molmil
Apo - YndL
分子名称: CITRATE ANION, SULFATE ION, YndL, ...
著者Ramaswamy, S, Rasheed, M, Morelli, C, Calvio, C, Sutton, B, Pastore, A.
登録日2018-09-27
公開日2018-10-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of PghL hydrolase bound to its substrate poly-gamma-glutamate.
FEBS J., 285, 2018
4YNV
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BU of 4ynv by Molmil
Assembly Chaperone of RpL4 (Acl4) (Residues 28-338)
分子名称: ACL4
著者Huber, F.M, Hoelz, A.
登録日2015-03-11
公開日2015-05-13
最終更新日2020-04-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Coordinated Ribosomal L4 Protein Assembly into the Pre-Ribosome Is Regulated by Its Eukaryote-Specific Extension.
Mol.Cell, 58, 2015
6HRP
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BU of 6hrp by Molmil
CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-3,4-dihydroisoquinolin-1-one
分子名称: 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one, Tyrosine-protein kinase BTK
著者Janson, C, Kuglstatter, A.
登録日2018-09-28
公開日2019-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation.
Bioorg.Med.Chem.Lett., 29, 2019
4YO3
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BU of 4yo3 by Molmil
Enteroaggregative Escherichia Coli TssA N-terminal fragment
分子名称: TssA
著者Durand, E, Zoued, A, Spinelli, S, Douzi, B, Brunet, Y.R, Bebeacua, C, Legrand, P, Journet, L, Mignot, T, Cambillau, C, Cascales, E.
登録日2015-03-11
公開日2016-02-17
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Priming and polymerization of a bacterial contractile tail structure.
Nature, 531, 2016

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