6CIP
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6EQP
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![BU of 6eqp by Molmil](/molmil-images/mine/6eqp) | Human butyrylcholinesterase in complex with ethopropazine | Descriptor: | 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, ... | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S. | Deposit date: | 2017-10-14 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.349417 Å) | Cite: | 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
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![BU of 5vws by Molmil](/molmil-images/mine/5vws) | Ligand free structure of Cytochrome P450 TbtJ1 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gober, J.G, Ghodge, S.V, Brustad, E.M, Bowers, A.A. | Deposit date: | 2017-05-22 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides. ACS Chem. Biol., 12, 2017
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4NKD
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![BU of 4nkd by Molmil](/molmil-images/mine/4nkd) | Crystal structure of engineered anti-EE scFv antibody fragment | Descriptor: | Engineered scFv | Authors: | 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. | Deposit date: | 2013-11-12 | Release date: | 2014-03-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.303 Å) | Cite: | Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments. Proteins, 82, 2014
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6EQ4
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![BU of 6eq4 by Molmil](/molmil-images/mine/6eq4) | MTH1 in complex with fragment 8 | Descriptor: | 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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6I55
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![BU of 6i55 by Molmil](/molmil-images/mine/6i55) | Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) co-crystallized with N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide | Descriptor: | Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide, ... | Authors: | Goyal, P, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S. | Deposit date: | 2018-11-12 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | 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
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![BU of 6eq6 by Molmil](/molmil-images/mine/6eq6) | MTH1 in complex with fragment 1 | Descriptor: | 3-pyrrolidin-1-ylquinoxalin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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6CM4
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![BU of 6cm4 by Molmil](/molmil-images/mine/6cm4) | Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone | Descriptor: | 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, ... | Authors: | Wang, S, Che, T, Levit, A, Shoichet, B.K, Wacker, D, Roth, B.L. | Deposit date: | 2018-03-02 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.867 Å) | Cite: | 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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4NMA
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3GE3
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![BU of 3ge3 by Molmil](/molmil-images/mine/3ge3) | Crystal Structure of the reduced Toluene 4-Monooxygenase HD T201A mutant complex | Descriptor: | ACETATE ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Elsen, N.L, Bailey, L.J, Fox, B.G. | Deposit date: | 2009-02-24 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Role for threonine 201 in the catalytic cycle of the soluble diiron hydroxylase toluene 4-monooxygenase. Biochemistry, 48, 2009
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4R27
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![BU of 4r27 by Molmil](/molmil-images/mine/4r27) | Crystal structure of beta-glycosidase BGL167 | Descriptor: | Glycoside hydrolase | Authors: | Park, S.J, Choi, J.M, Kyeong, H.H, Kim, S.G, Kim, H.S. | Deposit date: | 2014-08-09 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Rational design of a beta-glycosidase with high regiospecificity for triterpenoid tailoring Chembiochem, 16, 2015
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6E5Z
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4R18
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![BU of 4r18 by Molmil](/molmil-images/mine/4r18) | Ligand-induced Lys33-Thr1 crosslinking at subunit beta5 of the yeast 20S proteasome | Descriptor: | ALPHA-AMINOBUTYRIC ACID, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ... | Authors: | Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M. | Deposit date: | 2014-08-04 | Release date: | 2014-10-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
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![BU of 4r4x by Molmil](/molmil-images/mine/4r4x) | Structure of PNGF-II in C2 space group | Descriptor: | PNGF-II, ZINC ION | Authors: | Sun, G, Yu, X, Celimuge, Wang, L, Li, M, Gan, J, Qu, D, Ma, J, Chen, L. | Deposit date: | 2014-08-20 | Release date: | 2015-01-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification and
Characterization of a Novel Prokaryotic Peptide: N-glycosidase from
Elizabethkingia meningoseptica J.Biol.Chem., 2015
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6I2R
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![BU of 6i2r by Molmil](/molmil-images/mine/6i2r) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), mutant R802A, in complex with GarA | Descriptor: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | Authors: | Wagner, T, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2018-11-01 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling. Sci.Signal., 12, 2019
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6COM
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![BU of 6com by Molmil](/molmil-images/mine/6com) | 2.3A crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Asp269Asn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Sokaribo, A.S, Cotelesage, J.H, Novakovski, B, Goldie, H, Sanders, D. | Deposit date: | 2018-03-12 | Release date: | 2018-04-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants. Biochim Biophys Acta Gen Subj, 1864, 2020
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3KG0
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![BU of 3kg0 by Molmil](/molmil-images/mine/3kg0) | Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, determined to 1.7 resolution | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SnoaB | Authors: | Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G. | Deposit date: | 2009-10-28 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism Biochemistry, 49, 2010
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3D9A
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![BU of 3d9a by Molmil](/molmil-images/mine/3d9a) | High Resolution Crystal Structure Structure of HyHel10 Fab Complexed to Hen Egg Lysozyme | Descriptor: | Heavy Chain of HyHel10 Antibody Fragment (Fab), Light Chain of HyHel10 Antibody Fragment (Fab), Lysozyme C | Authors: | DeSantis, M.E, Li, M, Shanmuganathan, A, Acchione, M, Walter, R, Wlodawer, A, Smith-Gill, S. | Deposit date: | 2008-05-27 | Release date: | 2008-06-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 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
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![BU of 4ngo by Molmil](/molmil-images/mine/4ngo) | Previously de-ionized HEW lysozyme batch crystallized in 1.0 M CoCl2 | Descriptor: | CHLORIDE ION, COBALT (II) ION, Lysozyme C | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | Deposit date: | 2013-11-02 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | 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
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![BU of 6cq8 by Molmil](/molmil-images/mine/6cq8) | K2P2.1(TREK-1):ML335 complex | Descriptor: | CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2018-03-14 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site. Nature, 547, 2017
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4NGW
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![BU of 4ngw by Molmil](/molmil-images/mine/4ngw) | Dialyzed HEW lysozyme batch crystallized in 0.5 M YbCl3 and collected at 100 K | Descriptor: | CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | Deposit date: | 2013-11-03 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | 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
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![BU of 2vqt by Molmil](/molmil-images/mine/2vqt) | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | Descriptor: | (2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | Authors: | 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. | Deposit date: | 2008-03-18 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol., 4, 2008
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3KEH
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![BU of 3keh by Molmil](/molmil-images/mine/3keh) | Crystal Structure of N370S Glucocerebrosidase mutant at pH 7.4 | Descriptor: | 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, ... | Authors: | Wei, R.R, Boucher, S, Pan, C.Q, Edmunds, T. | Deposit date: | 2009-10-26 | Release date: | 2010-10-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Glucocerebrosidase Containing the N370S mutation: Implication on Chaperon Therapy To be Published
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2K2P
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![BU of 2k2p by Molmil](/molmil-images/mine/2k2p) | Solution NMR structure of protein Atu1203 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium (NESG) target AtT10, Ontario Center for Structural Proteomics target ATC1183 | Descriptor: | Uncharacterized protein Atu1203 | Authors: | Lemak, A, Gutmanas, A, Yee, A, Semesi, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-04-08 | Release date: | 2008-04-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of protein Atu1203 from Agrobacterium tumefaciens. To be Published
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