1MD7
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![BU of 1md7 by Molmil](/molmil-images/mine/1md7) | Monomeric structure of the zymogen of complement protease C1r | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C1R COMPLEMENT SERINE PROTEASE | Authors: | Budayova-Spano, M, Grabarse, W, Thielens, N.M, Hillen, H, Lacroix, M, Schmidt, M, Fontecilla-Camps, J, Arlaud, G.J, Gaboriaud, C. | Deposit date: | 2002-08-07 | Release date: | 2003-08-07 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Monomeric structures of the zymogen and active catalytic domain of complement protease c1r: further insights into the c1 activation mechanism Structure, 10, 2002
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2XD1
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![BU of 2xd1 by Molmil](/molmil-images/mine/2xd1) | ACTIVE SITE RESTRUCTURING REGULATES LIGAND RECOGNITION IN CLASS A PENICILLIN-BINDING PROTEINS | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Macheboeuf, P, Di Guilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A. | Deposit date: | 2010-04-28 | Release date: | 2010-05-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins. Proc.Natl.Acad.Sci.USA, 102, 2005
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3H20
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![BU of 3h20 by Molmil](/molmil-images/mine/3h20) | Crystal structure of primase RepB' | Descriptor: | DIPHOSPHATE, Replication protein B, SULFATE ION | Authors: | Geibel, S, Banchenko, S, Engel, M, Lanka, E, Saenger, W. | Deposit date: | 2009-04-14 | Release date: | 2009-04-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure and function of primase RepB' encoded by broad-host-range plasmid RSF1010 that replicates exclusively in leading-strand mode Proc.Natl.Acad.Sci.USA, 106, 2009
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7X2Z
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![BU of 7x2z by Molmil](/molmil-images/mine/7x2z) | NMR solution structure of the 1:1 complex of a pyridostatin derivative (PyPDS) bound to a G-quadruplex MYT1L | Descriptor: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide, G-quadruplex DNA MYT1L | Authors: | Liu, L.-Y, Mao, Z.-W, Liu, W. | Deposit date: | 2022-02-26 | Release date: | 2022-06-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of Pyridostatin and Its Derivatives Specifically Binding to G-Quadruplexes. J.Am.Chem.Soc., 144, 2022
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7QBR
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![BU of 7qbr by Molmil](/molmil-images/mine/7qbr) | Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2021-11-19 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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7QBQ
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![BU of 7qbq by Molmil](/molmil-images/mine/7qbq) | Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | Descriptor: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2021-11-19 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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1MPO
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![BU of 1mpo by Molmil](/molmil-images/mine/1mpo) | MALTOPORIN MALTOHEXAOSE COMPLEX | Descriptor: | MAGNESIUM ION, MALTOPORIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dutzler, R, Schirmer, T. | Deposit date: | 1996-01-11 | Release date: | 1997-03-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of various maltooligosaccharides bound to maltoporin reveal a specific sugar translocation pathway. Structure, 4, 1996
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2XXF
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![BU of 2xxf by Molmil](/molmil-images/mine/2xxf) | Cu metallated H254F mutant of nitrite reductase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hough, M.A, Eady, R.R, Hasnain, S.S. | Deposit date: | 2010-11-10 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase. Biochemistry, 50, 2011
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1M6P
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![BU of 1m6p by Molmil](/molmil-images/mine/1m6p) | EXTRACYTOPLASMIC DOMAIN OF BOVINE CATION-DEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR | Descriptor: | 6-O-phosphono-alpha-D-mannopyranose, CATION-DEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, MANGANESE (II) ION | Authors: | Roberts, D.L, Weix, D.J, Dahms, N.M, Kim, J.J.-P. | Deposit date: | 1998-04-19 | Release date: | 1999-04-27 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular basis of lysosomal enzyme recognition: three-dimensional structure of the cation-dependent mannose 6-phosphate receptor. Cell(Cambridge,Mass.), 93, 1998
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2XZW
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![BU of 2xzw by Molmil](/molmil-images/mine/2xzw) | STRUCTURE OF PII FROM SYNECHOCOCCUS ELONGATUS IN COMPLEX WITH 2- OXOGLUTARATE AT LOW 2-OG CONCENTRATIONS | Descriptor: | 2-OXOGLUTARIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zeth, K, Chellamuthu, V.-R, Forchhammer, K, Fokina, O. | Deposit date: | 2010-11-29 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanism of 2-Oxoglutarate Signaling by the Synechococcus Elongatus Pii Signal Transduction Protein. Proc.Natl.Acad.Sci.USA, 107, 2010
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1MOR
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8SIT
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2XDR
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![BU of 2xdr by Molmil](/molmil-images/mine/2xdr) | CRYSTALLOGRAPHIC STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE MUTANT E252A FROM PSEUDOMONAS AERUGINOSA | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, BETAINE ALDEHYDE DEHYDROGENASE, GLYCEROL, ... | Authors: | Diaz-Sanchez, A.G, Gonzalez-Segura, L, Rudino-Pinera, E, Lira-Rocha, A, Munoz-Clares, R.A. | Deposit date: | 2010-05-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | A Novel Cysteine-Nadph Covalent Adduct in Pseudomonas Aeruginosa Betaine Aldehyde Dehydrogenase Suggests Important Roles for the Reduced Nucleotide in the Reaction Mechanism To be Published
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7Y37
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7QHD
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![BU of 7qhd by Molmil](/molmil-images/mine/7qhd) | Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | Descriptor: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | Deposit date: | 2021-12-12 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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7QHE
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![BU of 7qhe by Molmil](/molmil-images/mine/7qhe) | Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | Descriptor: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | Deposit date: | 2021-12-12 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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2XO5
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![BU of 2xo5 by Molmil](/molmil-images/mine/2xo5) | RIBONUCLEOTIDE REDUCTASE Y731NH2Y MODIFIED R1 SUBUNIT OF E. COLI | Descriptor: | RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 SUBUNIT ALPHA, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 SUBUNIT BETA | Authors: | Minnihan, E.C, Seyedsayamdost, M.R, Uhlin, U, Stubbe, J. | Deposit date: | 2010-08-09 | Release date: | 2010-08-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Kinetics of Radical Intermediate Formation and Deoxynucleotide Production in 3-Aminotyrosine- Substituted Escherichia Coli Ribonucleotide Reductases. J.Am.Chem.Soc., 133, 2011
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8SDG
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8SIS
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5DBF
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![BU of 5dbf by Molmil](/molmil-images/mine/5dbf) | Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NADPH | Descriptor: | Iridoid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2015-08-21 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms Angew.Chem.Int.Ed.Engl., 54, 2015
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4UU9
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![BU of 4uu9 by Molmil](/molmil-images/mine/4uu9) | Crystal structure of the human c5a in complex with MEDI7814 a neutralising antibody | Descriptor: | COMPLEMENT C5, MEDI7814, SULFATE ION | Authors: | Colley, C, Sridharan, S, Dobson, C, Popovic, B, Debreczeni, J.E, Hargreaves, D, Edwards, B, Brennan, J, England, L, Fung, S, An Eghobamien, L, Sivars, U, Woods, R, Flavell, L, Renshaw, G.J, Wickson, K, Wilkinson, T, Davies, R, Bonnell, J, Warrener, P, Howes, R, Vaughan, T. | Deposit date: | 2014-07-25 | Release date: | 2015-08-12 | Last modified: | 2019-02-27 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure and characterization of a high affinity C5a monoclonal antibody that blocks binding to C5aR1 and C5aR2 receptors. MAbs, 10, 2018
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5DCU
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![BU of 5dcu by Molmil](/molmil-images/mine/5dcu) | Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and triethylene glycol carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2015-08-24 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis. Nat.Chem.Biol., 12, 2016
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8SIR
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1M3G
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2XU2
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![BU of 2xu2 by Molmil](/molmil-images/mine/2xu2) | Crystal Structure of the hypothetical protein PA4511 from Pseudomonas aeruginosa | Descriptor: | CITRIC ACID, UPF0271 PROTEIN PA4511 | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-10-14 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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