1WMF
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![BU of 1wmf by Molmil](/molmil-images/mine/1wmf) | Crystal Structure of alkaline serine protease KP-43 from Bacillus sp. KSM-KP43 (oxidized form, 1.73 angstrom) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CALCIUM ION, GLYCEROL, ... | Authors: | Nonaka, T, Fujihashi, M, Kita, A, Saeki, K, Ito, S, Horikoshi, K, Miki, K. | Deposit date: | 2004-07-08 | Release date: | 2004-09-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The Crystal Structure of an Oxidatively Stable Subtilisin-like Alkaline Serine Protease, KP-43, with a C-terminal {beta}-Barrel Domain J.Biol.Chem., 279, 2004
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1WMO
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![BU of 1wmo by Molmil](/molmil-images/mine/1wmo) | Crystal structure of topaquinone-containing amine oxidase activated by nickel ion | Descriptor: | NICKEL (II) ION, Phenylethylamine oxidase | Authors: | Okajima, T, Kishishita, S, Chiu, Y.C, Murakawa, T, Kim, M, Yamaguchi, H, Hirota, S, Kuroda, S, Tanizawa, K. | Deposit date: | 2004-07-13 | Release date: | 2005-08-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reinvestigation of metal ion specificity for quinone cofactor biogenesis in bacterial copper amine oxidase Biochemistry, 44, 2005
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6Z3I
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![BU of 6z3i by Molmil](/molmil-images/mine/6z3i) | Structure of recombinant beta-glucocerebrosidase in complex with bifunctional cyclophellitol aziridine activity based probe | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2020-05-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents. Chemistry, 27, 2021
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7YJJ
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![BU of 7yjj by Molmil](/molmil-images/mine/7yjj) | Human Cytosolic 10-formyltetrahydrofolate dehydrogenase and Gossypol complex | Descriptor: | Cytosolic 10-formyltetrahydrofolate dehydrogenase, Gossypol | Authors: | Han, C.W, Lee, H.N, Jeong, M.S, Jang, S.B. | Deposit date: | 2022-07-20 | Release date: | 2023-07-26 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (6.31 Å) | Cite: | Structural identification and comprehension of human ALDH1L1-Gossypol complex. Biochem.Biophys.Res.Commun., 726, 2024
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8BJY
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![BU of 8bjy by Molmil](/molmil-images/mine/8bjy) | Engineered Fructosyl Peptide Oxidase - X02B mutant | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02B), GLYCEROL | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | Deposit date: | 2022-11-08 | Release date: | 2023-11-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.475 Å) | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition. Sci Rep, 13, 2023
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6ZLG
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![BU of 6zlg by Molmil](/molmil-images/mine/6zlg) | Folding of an iron binding peptide in response to sedimentation is resolved using ferritin as a nano-reactor | Descriptor: | Ferritin | Authors: | Davidov, G, Abelya, G, Zalk, R, Izbicki, B, Shaibi, S, Spektor, L, Meyron Holtz, E.G, Zarivach, R, Frank, G.A. | Deposit date: | 2020-06-30 | Release date: | 2021-07-07 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Folding of an Intrinsically Disordered Iron-Binding Peptide in Response to Sedimentation Revealed by Cryo-EM. J.Am.Chem.Soc., 142, 2020
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8BLX
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![BU of 8blx by Molmil](/molmil-images/mine/8blx) | Engineered Fructosyl Peptide Oxidase - X02A mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02A), ... | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | Deposit date: | 2022-11-10 | Release date: | 2023-11-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition. Sci Rep, 13, 2023
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2J7G
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![BU of 2j7g by Molmil](/molmil-images/mine/2j7g) | Beta-glucosidase from Thermotoga maritima in complex with methyl acetic acid-substituted glucoimidazole | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | Deposit date: | 2006-10-07 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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5WFP
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![BU of 5wfp by Molmil](/molmil-images/mine/5wfp) | Ligand-bound Ras:SOS:Ras complex | Descriptor: | 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... | Authors: | Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. | Deposit date: | 2017-07-12 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling. Anal. Biochem., 548, 2018
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8BMU
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![BU of 8bmu by Molmil](/molmil-images/mine/8bmu) | Engineered Fructosyl Peptide Oxidase - X04 mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X04), ... | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | Deposit date: | 2022-11-11 | Release date: | 2023-11-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition. Sci Rep, 13, 2023
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8BLZ
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![BU of 8blz by Molmil](/molmil-images/mine/8blz) | Engineered Fructosyl Peptide Oxidase - D02 mutant | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (D02), GLYCEROL, ... | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | Deposit date: | 2022-11-10 | Release date: | 2023-11-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition. Sci Rep, 13, 2023
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6XKR
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![BU of 6xkr by Molmil](/molmil-images/mine/6xkr) | Structure of Sasanlimab Fab in complex with PD-1 | Descriptor: | GLYCEROL, Programmed cell death protein 1, Sasanlimab Fab Heavy chain, ... | Authors: | Kimberlin, C.R, Chin, S.M. | Deposit date: | 2020-06-27 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Pharmacologic Properties and Preclinical Activity of Sasanlimab, A High-affinity Engineered Anti-Human PD-1 Antibody. Mol.Cancer Ther., 19, 2020
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2J2I
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![BU of 2j2i by Molmil](/molmil-images/mine/2j2i) | Crystal Structure of the humab PIM1 in complex with LY333531 | Descriptor: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION | Authors: | Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S. | Deposit date: | 2006-08-16 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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2J7C
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![BU of 2j7c by Molmil](/molmil-images/mine/2j7c) | Beta-glucosidase from Thermotoga maritima in complex with phenylaminomethyl-derived glucoimidazole | Descriptor: | (5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | Deposit date: | 2006-10-06 | Release date: | 2006-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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6XB1
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6XE4
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![BU of 6xe4 by Molmil](/molmil-images/mine/6xe4) | BTK Fluorocyclopropyl amide inhibitor, Compound 25 | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | Deposit date: | 2020-06-11 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Acs Med.Chem.Lett., 11, 2020
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2MH5
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![BU of 2mh5 by Molmil](/molmil-images/mine/2mh5) | Structure and NMR assignments of lantibiotic NAI-107 in DPC micelles | Descriptor: | Lantibiotic 107891, dodecyl 2-(trimethylammonio)ethyl phosphate | Authors: | Munch, D, Muller, A, Schneider, T, Kohl, B, Wenzel, M, Bandow, J, Maffioli, S, Sosio, M, Donadio, S, Wimmer, R, Sahl, H. | Deposit date: | 2013-11-18 | Release date: | 2014-03-05 | Last modified: | 2024-07-10 | Method: | SOLUTION NMR | Cite: | The Lantibiotic NAI-107 Binds to Bactoprenol-bound Cell Wall Precursors and Impairs Membrane Functions. J.Biol.Chem., 289, 2014
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2LZ5
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![BU of 2lz5 by Molmil](/molmil-images/mine/2lz5) | Solution structure of a Novel Alpha-Conotoxin TxIB | Descriptor: | Conotoxin_TxIB | Authors: | Luo, S, Zhangsun, D, Wu, Y, Zhu, X, Hu, Y, McIntyre, M, Christensen, S, Akcan, M, Craik, D, McIntosh, J. | Deposit date: | 2012-09-23 | Release date: | 2012-12-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Characterization of a novel alpha-conotoxin from conus textile that selectively targets alpha6/alpha3beta2beta3 nicotinic acetylcholine receptors. J.Biol.Chem., 288, 2013
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7ACD
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![BU of 7acd by Molmil](/molmil-images/mine/7acd) | Crystal structure of the human METTL3-METTL14 complex with compound T30 (UZH1a) | Descriptor: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2020-09-10 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes. Chemmedchem, 16, 2021
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2J77
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![BU of 2j77 by Molmil](/molmil-images/mine/2j77) | Beta-glucosidase from Thermotoga maritima in complex with deoxynojirimycin | Descriptor: | 1-DEOXYNOJIRIMYCIN, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Gloster, T.M, Zechel, D, Davies, G.J. | Deposit date: | 2006-10-06 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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7ADR
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![BU of 7adr by Molmil](/molmil-images/mine/7adr) | CO bound as bridging ligand at the active site of vanadium nitrogenase VFe protein | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | Authors: | Rohde, M, Grunau, K, Einsle, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution. Angew.Chem.Int.Ed.Engl., 59, 2020
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7A8Z
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7AA3
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2J7B
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![BU of 2j7b by Molmil](/molmil-images/mine/2j7b) | Beta-glucosidase from Thermotoga maritima in complex with gluco- tetrazole | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | Deposit date: | 2006-10-06 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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5WGM
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![BU of 5wgm by Molmil](/molmil-images/mine/5wgm) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ACY-1083 | Descriptor: | 1,2-ETHANEDIOL, 2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Porter, N.J, Christianson, D.W. | Deposit date: | 2017-07-14 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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