3VCA
 
 | | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman and UV-visible Spectroscopic Analysis of a Rieske-type Demethylase | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | | Authors: | Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N. | | Deposit date: | 2012-01-03 | | Release date: | 2012-02-08 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
J.Am.Chem.Soc., 134, 2012
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3VHO
 | | Y61-gg insertion mutant of Tm-Cellulase 12A | | Descriptor: | Endo-1,4-beta-glucanase | | Authors: | Cheng, Y.-S, Ko, T.-P, Guo, R.-T, Liu, J.-R. | | Deposit date: | 2011-08-30 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop
Appl.Microbiol.Biotechnol., 95, 2012
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3VRS
 | | Crystal structure of fluoride riboswitch, soaked in Mn2+ | | Descriptor: | FLUORIDE ION, Fluoride riboswitch, MANGANESE (II) ION, ... | | Authors: | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2012-04-13 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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3VJL
 | | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | | Deposit date: | 2011-10-24 | | Release date: | 2012-10-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
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3VKG
 | | X-ray structure of an MTBD truncation mutant of dynein motor domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dynein heavy chain, cytoplasmic, ... | | Authors: | Kon, T, Oyama, T, Shimo-Kon, R, Suto, K, Kurisu, G. | | Deposit date: | 2011-11-16 | | Release date: | 2012-03-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The 2.8 A crystal structure of the dynein motor domain
Nature, 484, 2012
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3VNZ
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with D-glucuronic acid | | Descriptor: | GLYCEROL, PHOSPHATE ION, beta-D-glucopyranuronic acid, ... | | Authors: | Momma, M, Fujimoto, Z, Michikawa, M, Ichinose, H, Yoshida, M, Kotake, Y, Biely, P, Tsumuraya, Y, Kaneko, S. | | Deposit date: | 2012-01-18 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and biochemical characterization of glycoside hydrolase family 79 beta-glucuronidase from Acidobacterium capsulatum
J.Biol.Chem., 287, 2012
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3U83
 | | Crystal structure of nectin-1 | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Poliovirus receptor-related protein 1 | | Authors: | Zhang, N, Yan, J, Lu, G, Guo, Z, Fan, Z, Wang, J, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2011-10-15 | | Release date: | 2012-03-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Binding of herpes simplex virus glycoprotein D to nectin-1 exploits host cell adhesion.
Nat Commun, 2, 2011
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3WF6
 | | Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine | | Descriptor: | 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION | | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-17 | | Release date: | 2014-08-06 | | Last modified: | 2014-10-29 | | Method: | X-RAY DIFFRACTION (2.031 Å) | | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
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3U8P
 | | Cytochrome b562 integral fusion with EGFP | | Descriptor: | Cytochrome b562 integral fusion with enhanced green fluorescent protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Arpino, J, Czapinska, H, Piasecka, A, Edwards, W.R, Barker, P, Gajda, M, Bochtler, M, Jones, D.D. | | Deposit date: | 2011-10-17 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis for efficient chromophore communication and energy transfer in a constructed didomain protein scaffold.
J.Am.Chem.Soc., 134, 2012
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3WDN
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3WX8
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3WXK
 | | Crystal structure of trypanosoma brucei gambiense glycerol kinase in complex with glycerol | | Descriptor: | GLYCEROL, Glycerol kinase, HEXANE-1,6-DIOL | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, C, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | | Deposit date: | 2014-08-01 | | Release date: | 2014-12-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase.
Mol.Microbiol., 94, 2014
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3W55
 | | The structure of ERK2 in complex with FR148083 | | Descriptor: | (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Mitogen-activated protein kinase 1 | | Authors: | Ohori, M, Kinoshita, T. | | Deposit date: | 2013-01-21 | | Release date: | 2013-02-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Role of a cysteine residue in the active site of ERK and the MAPKK family
Biochem.Biophys.Res.Commun., 353, 2007
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3UM5
 | | Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Kamchonwongpaisan, S, Chitnumsub, P, Yuthavong, Y. | | Deposit date: | 2011-11-12 | | Release date: | 2012-07-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil.
Antimicrob.Agents Chemother., 56, 2012
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3UDW
 | | Crystal structure of the immunoreceptor TIGIT in complex with Poliovirus receptor (PVR/CD155/necl-5) D1 domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor, T cell immunoreceptor with Ig and ITIM domains | | Authors: | Rouge, L, Stengel, K.F, Yin, J.P, Bazan, F.J, Wiesmann, C. | | Deposit date: | 2011-10-28 | | Release date: | 2012-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.903 Å) | | Cite: | Structure of TIGIT immunoreceptor bound to poliovirus receptor reveals a cell-cell adhesion and signaling mechanism that requires cis-trans receptor clustering.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3WE4
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3W2T
 | | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with vildagliptin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne, ... | | Authors: | Kishida, H, Nabeno, M, Miyaguchi, I, Tanaka, Y, Katou, R, Akahoshi, F. | | Deposit date: | 2012-12-04 | | Release date: | 2013-05-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | A comparative study of the binding modes of recently launched dipeptidyl peptidase IV inhibitors in the active site
Biochem.Biophys.Res.Commun., 434, 2013
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3W5K
 | | Crystal structure of Snail1 and importin beta complex | | Descriptor: | Importin subunit beta-1, ZINC ION, Zinc finger protein SNAI1 | | Authors: | Choi, S, Yamashita, E, Yasuhara, N, Song, J, Son, S.Y, Won, Y.H, Shin, Y.S, Sekimoto, T, Park, I.Y, Yoneda, Y, Lee, S.J. | | Deposit date: | 2013-01-30 | | Release date: | 2014-03-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the selective nuclear import of the C2H2 zinc-finger protein Snail by importin beta.
Acta Crystallogr.,Sect.D, 70, 2014
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3WF7
 | | Crystal structure of S6K1 kinase domain in complex with a purine derivative 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide | | Descriptor: | 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... | | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-17 | | Release date: | 2014-08-06 | | Last modified: | 2014-10-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
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3WXI
 | | Crystal structure of trypanosoma brucei gambiense glycerol kinase (ligand-free form) | | Descriptor: | Glycerol kinase | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, T, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | | Deposit date: | 2014-08-01 | | Release date: | 2014-12-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase.
Mol.Microbiol., 94, 2014
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3WF5
 | | Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine | | Descriptor: | 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION | | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-17 | | Release date: | 2014-08-06 | | Last modified: | 2014-10-29 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
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3WXL
 | | Crystal structure of trypanosoma brucei gambiense glycerol kinase complex with adp, mg2+, and glycerol | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Glycerol kinase, ... | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, C, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | | Deposit date: | 2014-08-01 | | Release date: | 2014-12-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase.
Mol.Microbiol., 94, 2014
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3WXJ
 | | Crystal structure of trypanosoma brucei gambiense glycerol kinase in complex with glycerol 3-phosphate | | Descriptor: | GLYCEROL, Glycerol kinase, SN-GLYCEROL-3-PHOSPHATE | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, C, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | | Deposit date: | 2014-08-01 | | Release date: | 2014-12-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase.
Mol.Microbiol., 94, 2014
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3VHP
 | | The insertion mutant Y61GG of Tm Cel12A | | Descriptor: | Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Cheng, Y.-S, Ko, T.-P, Guo, R.-T, Liu, J.-R. | | Deposit date: | 2011-08-30 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop
Appl.Microbiol.Biotechnol., 95, 2012
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3WF8
 | | Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate | | Descriptor: | 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... | | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-17 | | Release date: | 2014-08-06 | | Last modified: | 2014-10-29 | | Method: | X-RAY DIFFRACTION (1.975 Å) | | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
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