1BP1
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![BU of 1bp1 by Molmil](/molmil-images/mine/1bp1) | CRYSTAL STRUCTURE OF BPI, THE HUMAN BACTERICIDAL PERMEABILITY-INCREASING PROTEIN | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERICIDAL/PERMEABILITY-INCREASING PROTEIN | Authors: | Beamer, L.J, Carroll, S.F, Eisenberg, D. | Deposit date: | 1997-04-08 | Release date: | 1997-09-04 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human BPI and two bound phospholipids at 2.4 angstrom resolution. Science, 276, 1997
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1WUY
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![BU of 1wuy by Molmil](/molmil-images/mine/1wuy) | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site | Descriptor: | 4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ... | Authors: | Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E. | Deposit date: | 2004-12-09 | Release date: | 2005-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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2IES
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7NWA
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![BU of 7nwa by Molmil](/molmil-images/mine/7nwa) | |
2YAT
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![BU of 2yat by Molmil](/molmil-images/mine/2yat) | Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex | Descriptor: | ESTRADIOL-PYRIDINIUM TETRAACETIC ACID, ESTROGEN RECEPTOR, EUROPIUM ION, ... | Authors: | Li, M.J, Greenblatt, H.M, Dym, O, Albeck, S, Degani, H, Sussman, J.L. | Deposit date: | 2011-02-24 | Release date: | 2011-06-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Structure of Estradiol Metal Chelate and Estrogen Receptor Complex: The Basis for Designing a New Class of Selective Estrogen Receptor Modulators. J.Med.Chem., 54, 2011
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2IER
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1TYP
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3ATK
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![BU of 3atk by Molmil](/molmil-images/mine/3atk) | Crystal structure of trypsin complexed with cycloheptanamine | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3ATI
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![BU of 3ati by Molmil](/molmil-images/mine/3ati) | Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3ATL
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![BU of 3atl by Molmil](/molmil-images/mine/3atl) | Crystal structure of trypsin complexed with benzamidine | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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2ERA
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![BU of 2era by Molmil](/molmil-images/mine/2era) | RECOMBINANT ERABUTOXIN A, S8G MUTANT | Descriptor: | ERABUTOXIN A | Authors: | Gaucher, J.F, Menez, R, Arnoux, B, Menez, A, Ducruix, A. | Deposit date: | 1997-06-25 | Release date: | 1997-12-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | High resolution x-ray analysis of two mutants of a curaremimetic snake toxin Eur.J.Biochem., 267, 2000
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8BRY
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![BU of 8bry by Molmil](/molmil-images/mine/8bry) | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at atmospheric pressure | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | Deposit date: | 2022-11-24 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins To Be Published
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8BS1
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![BU of 8bs1 by Molmil](/molmil-images/mine/8bs1) | Room-temperature structure of SARS-CoV-2 Main protease at atmospheric pressure | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A. | Deposit date: | 2022-11-24 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins To Be Published
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2GNT
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![BU of 2gnt by Molmil](/molmil-images/mine/2gnt) | EDTA treated P. angolensis lectin (PAL) remetallized with calcium (1 hour treatment) | Descriptor: | CALCIUM ION, lectin | Authors: | Garcia-Pino, A, Buts, L, Wyns, L, Loris, R. | Deposit date: | 2006-04-11 | Release date: | 2006-07-25 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin. J.Mol.Biol., 361, 2006
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2GO3
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![BU of 2go3 by Molmil](/molmil-images/mine/2go3) | Crystal structure of Aquifex aeolicus LpxC complexed with imidazole. | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | Authors: | Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W. | Deposit date: | 2006-04-12 | Release date: | 2006-07-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase Biochemistry, 45, 2006
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6GZF
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![BU of 6gzf by Molmil](/molmil-images/mine/6gzf) | Xi Class GST from Natrialba magadii | Descriptor: | Glutathione S-transferase, SULFATE ION | Authors: | Di Matteo, A, Federici, L, Masulli, M, Carletti, E, Cassidy, J, Paradisi, F, Di Ilio, C, Allocati, N. | Deposit date: | 2018-07-04 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.614 Å) | Cite: | Structural Characterization of the Xi Class Glutathione Transferase From the Haloalkaliphilic ArchaeonNatrialba magadii. Front Microbiol, 10, 2019
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3CE4
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2JDN
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![BU of 2jdn by Molmil](/molmil-images/mine/2jdn) | Mutant (S22A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-mannopyranoside | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ... | Authors: | Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M. | Deposit date: | 2007-01-11 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference. Bmc Struct.Biol., 7, 2007
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2JDY
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![BU of 2jdy by Molmil](/molmil-images/mine/2jdy) | Mutant (G24N) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-b-D-mannoyranoside | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, methyl alpha-D-mannopyranoside | Authors: | Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M. | Deposit date: | 2007-01-12 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference. Bmc Struct.Biol., 7, 2007
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2JDP
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![BU of 2jdp by Molmil](/molmil-images/mine/2jdp) | Mutant (S23A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, methyl alpha-L-fucopyranoside | Authors: | Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M. | Deposit date: | 2007-01-11 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference. Bmc Struct.Biol., 7, 2007
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1DQS
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![BU of 1dqs by Molmil](/molmil-images/mine/1dqs) | CRYSTAL STRUCTURE OF DEHYDROQUINATE SYNTHASE (DHQS) COMPLEXED WITH CARBAPHOSPHONATE, NAD+ AND ZN2+ | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (3-DEHYDROQUINATE SYNTHASE), ... | Authors: | Carpenter, E.P, Hawkins, A.R, Frost, J.W, Brown, K.A. | Deposit date: | 1998-04-09 | Release date: | 1999-07-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of dehydroquinate synthase reveals an active site capable of multistep catalysis. Nature, 394, 1998
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2F97
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![BU of 2f97 by Molmil](/molmil-images/mine/2f97) | Effector Binding Domain of BenM (crystals generated from high pH conditions) | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, HTH-type transcriptional regulator benM, ... | Authors: | Ezezika, O.C, Haddad, S, Neidle, E.L, Momany, C. | Deposit date: | 2005-12-05 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oligomerization of BenM, a LysR-type transcriptional regulator: structural basis for the aggregation of proteins in this family. Acta Crystallogr.,Sect.F, 63, 2007
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2GO4
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![BU of 2go4 by Molmil](/molmil-images/mine/2go4) | Crystal structure of Aquifex aeolicus LpxC complexed with TU-514 | Descriptor: | 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | Authors: | Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W. | Deposit date: | 2006-04-12 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase Biochemistry, 45, 2006
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1VOT
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![BU of 1vot by Molmil](/molmil-images/mine/1vot) | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A | Descriptor: | ACETYLCHOLINESTERASE, Huperzine A | Authors: | Raves, M.L, Harel, M, Silman, I, Sussman, J.L. | Deposit date: | 1996-06-23 | Release date: | 1997-06-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A. Nat.Struct.Biol., 4, 1997
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2FUB
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![BU of 2fub by Molmil](/molmil-images/mine/2fub) | Crystal structure of urate oxidase at 140 MPa | Descriptor: | 8-AZAXANTHINE, CYSTEINE, Uricase | Authors: | Colloc'h, N, Girard, E, Fourme, R. | Deposit date: | 2006-01-26 | Release date: | 2006-02-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High pressure macromolecular crystallography: The 140-MPa crystal structure at 2.3 A resolution of urate oxidase, a 135-kDa tetrameric assembly Biochim.Biophys.Acta, 1764, 2006
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