6CIP
 
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6EQP
 | | Human butyrylcholinesterase in complex with ethopropazine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S. | | 登録日 | 2017-10-14 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.349417 Å) | | 主引用文献 | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
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5VWS
 | | Ligand free structure of Cytochrome P450 TbtJ1 | | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Gober, J.G, Ghodge, S.V, Brustad, E.M, Bowers, A.A. | | 登録日 | 2017-05-22 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.411 Å) | | 主引用文献 | P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides.
ACS Chem. Biol., 12, 2017
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4NKD
 | | Crystal structure of engineered anti-EE scFv antibody fragment | | 分子名称: | Engineered scFv | | 著者 | Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L. | | 登録日 | 2013-11-12 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (3.303 Å) | | 主引用文献 | Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments.
Proteins, 82, 2014
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6EQ4
 | | MTH1 in complex with fragment 8 | | 分子名称: | 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 著者 | Wiedmer, L, Sledz, P, Caflisch, A. | | 登録日 | 2017-10-12 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
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6I55
 | | Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) co-crystallized with N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide | | 分子名称: | Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide, ... | | 著者 | Goyal, P, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S. | | 登録日 | 2018-11-12 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies.
Eur J Med Chem, 163, 2018
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6EQ6
 | | MTH1 in complex with fragment 1 | | 分子名称: | 3-pyrrolidin-1-ylquinoxalin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | 著者 | Wiedmer, L, Sledz, P, Caflisch, A. | | 登録日 | 2017-10-12 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | | 主引用文献 | Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
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6CM4
 | | Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone | | 分子名称: | 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, D(2) dopamine receptor, endolysin chimera, ... | | 著者 | Wang, S, Che, T, Levit, A, Shoichet, B.K, Wacker, D, Roth, B.L. | | 登録日 | 2018-03-02 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.867 Å) | | 主引用文献 | Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone.
Nature, 555, 2018
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6ERA
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4R27
 | | Crystal structure of beta-glycosidase BGL167 | | 分子名称: | Glycoside hydrolase | | 著者 | Park, S.J, Choi, J.M, Kyeong, H.H, Kim, S.G, Kim, H.S. | | 登録日 | 2014-08-09 | | 公開日 | 2015-05-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Rational design of a beta-glycosidase with high regiospecificity for triterpenoid tailoring
Chembiochem, 16, 2015
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4NMA
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3GE3
 | | Crystal Structure of the reduced Toluene 4-Monooxygenase HD T201A mutant complex | | 分子名称: | ACETATE ION, CHLORIDE ION, FE (III) ION, ... | | 著者 | Elsen, N.L, Bailey, L.J, Fox, B.G. | | 登録日 | 2009-02-24 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Role for threonine 201 in the catalytic cycle of the soluble diiron hydroxylase toluene 4-monooxygenase.
Biochemistry, 48, 2009
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6E5Z
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4R18
 | | Ligand-induced Lys33-Thr1 crosslinking at subunit beta5 of the yeast 20S proteasome | | 分子名称: | ALPHA-AMINOBUTYRIC ACID, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ... | | 著者 | Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M. | | 登録日 | 2014-08-04 | | 公開日 | 2014-10-15 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4R4X
 | | Structure of PNGF-II in C2 space group | | 分子名称: | PNGF-II, ZINC ION | | 著者 | Sun, G, Yu, X, Celimuge, Wang, L, Li, M, Gan, J, Qu, D, Ma, J, Chen, L. | | 登録日 | 2014-08-20 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification and
Characterization of a Novel Prokaryotic Peptide: N-glycosidase from
Elizabethkingia meningoseptica
J.Biol.Chem., 2015
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6I2R
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), mutant R802A, in complex with GarA | | 分子名称: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | | 著者 | Wagner, T, Bellinzoni, M, Alzari, P.M. | | 登録日 | 2018-11-01 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
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6COM
 | | 2.3A crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Asp269Asn | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Sokaribo, A.S, Cotelesage, J.H, Novakovski, B, Goldie, H, Sanders, D. | | 登録日 | 2018-03-12 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants.
Biochim Biophys Acta Gen Subj, 1864, 2020
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3KG0
 | | Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, determined to 1.7 resolution | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SnoaB | | 著者 | Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G. | | 登録日 | 2009-10-28 | | 公開日 | 2010-01-26 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism
Biochemistry, 49, 2010
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3D9A
 | | High Resolution Crystal Structure Structure of HyHel10 Fab Complexed to Hen Egg Lysozyme | | 分子名称: | Heavy Chain of HyHel10 Antibody Fragment (Fab), Light Chain of HyHel10 Antibody Fragment (Fab), Lysozyme C | | 著者 | DeSantis, M.E, Li, M, Shanmuganathan, A, Acchione, M, Walter, R, Wlodawer, A, Smith-Gill, S. | | 登録日 | 2008-05-27 | | 公開日 | 2008-06-10 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Light chain somatic mutations change thermodynamics of binding and water coordination in the HyHEL-10 family of antibodies.
Mol.Immunol., 47, 2009
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4NGO
 | | Previously de-ionized HEW lysozyme batch crystallized in 1.0 M CoCl2 | | 分子名称: | CHLORIDE ION, COBALT (II) ION, Lysozyme C | | 著者 | Benas, P, Legrand, L, Ries-Kautt, M. | | 登録日 | 2013-11-02 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
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6CQ8
 | | K2P2.1(TREK-1):ML335 complex | | 分子名称: | CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | | 著者 | Lolicato, M, Minor, D.L. | | 登録日 | 2018-03-14 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site.
Nature, 547, 2017
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4NGW
 | | Dialyzed HEW lysozyme batch crystallized in 0.5 M YbCl3 and collected at 100 K | | 分子名称: | CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION | | 著者 | Benas, P, Legrand, L, Ries-Kautt, M. | | 登録日 | 2013-11-03 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
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2VQT
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | 分子名称: | (2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | 著者 | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | 登録日 | 2008-03-18 | | 公開日 | 2008-04-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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3KEH
 | | Crystal Structure of N370S Glucocerebrosidase mutant at pH 7.4 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wei, R.R, Boucher, S, Pan, C.Q, Edmunds, T. | | 登録日 | 2009-10-26 | | 公開日 | 2010-10-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of Glucocerebrosidase Containing the N370S mutation: Implication on Chaperon Therapy
To be Published
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2VZ7
 | | Crystal structure of the YC-17-bound PikC D50N mutant | | 分子名称: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Li, S, Sherman, D.H, Podust, L.M. | | 登録日 | 2008-07-30 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Analysis of Transient and Catalytic Desosamine Binding Pockets in Cytochrome P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 284, 2009
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