2LO0
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4C7I
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![BU of 4c7i by Molmil](/molmil-images/mine/4c7i) | Leismania major N-myristoyltransferase in complex with a peptidomimetic (-OH) molecule | Descriptor: | DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | Authors: | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | Deposit date: | 2013-09-20 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites. Org.Biomol.Chem., 12, 2014
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4Z9O
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![BU of 4z9o by Molmil](/molmil-images/mine/4z9o) | Crystal Structure of human GGT1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Terzyan, S.S, Hanigan, M.H. | Deposit date: | 2015-04-10 | Release date: | 2015-06-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS. J.Biol.Chem., 290, 2015
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4CB7
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![BU of 4cb7 by Molmil](/molmil-images/mine/4cb7) | Structure of Influenza A H5N1 PB2 cap-binding domain with bound cap analogue (compound 8e) | Descriptor: | 5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1H-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid, GLYCEROL, POLYMERASE BASIC SUBUNIT 2 | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | Deposit date: | 2013-10-10 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain J.Med.Chem., 56, 2013
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4CB5
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![BU of 4cb5 by Molmil](/molmil-images/mine/4cb5) | Structure of Influenza A H5N1 PB2 cap-binding domain with bound cap analogue (compound 8f) | Descriptor: | 9-N-(3-CARBOXY-4-HYDROXYPHENYL)KETOMETHYL-7-N-METHYLGUANINE, CHLORIDE ION, POLYMERASE BASIC SUBUNIT 2 | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | Deposit date: | 2013-10-10 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain J.Med.Chem., 56, 2013
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4CB6
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![BU of 4cb6 by Molmil](/molmil-images/mine/4cb6) | Structure of Influenza A H5N1 PB2 cap-binding domain with bound cap analogue (compound 11) | Descriptor: | 2,9-N,N-DI(4-CARBOXYBUTYL)-7-N-METHYLGUANINE, IODIDE ION, POLYMERASE BASIC SUBUNIT 2 | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | Deposit date: | 2013-10-10 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain J.Med.Chem., 56, 2013
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4CB4
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![BU of 4cb4 by Molmil](/molmil-images/mine/4cb4) | Structure of Influenza A H5N1 PB2 cap-binding domain with bound m7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, POLYMERASE BASIC SUBUNIT 2 | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | Deposit date: | 2013-10-10 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain J.Med.Chem., 56, 2013
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6A69
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![BU of 6a69 by Molmil](/molmil-images/mine/6a69) | Cryo-EM structure of a P-type ATPase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroplastin, Plasma membrane calcium-transporting ATPase 1 | Authors: | Gong, D.S, Chi, X.M, Ren, K, Huang, G.X.Y, Zhou, G.W, Yan, N, Lei, J.L, Zhou, Q. | Deposit date: | 2018-06-27 | Release date: | 2018-09-19 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.11 Å) | Cite: | Structure of the human plasma membrane Ca2+-ATPase 1 in complex with its obligatory subunit neuroplastin. Nat Commun, 9, 2018
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4KMI
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![BU of 4kmi by Molmil](/molmil-images/mine/4kmi) | Crystal structure of 4-O-beta-D-mannosyl-D-glucose phosphorylase MGP complexed with PO4 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-O-beta-D-mannosyl-D-glucose phosphorylase, PHOSPHATE ION | Authors: | Nakae, S, Ito, S, Higa, M, Senoura, T, Wasaki, J, Hijikata, A, Shionyu, M, Ito, S, Shirai, T. | Deposit date: | 2013-05-08 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of Novel Enzyme in Mannan Biodegradation Process 4-O-beta-d-Mannosyl-d-Glucose Phosphorylase MGP J.Mol.Biol., 425, 2013
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1IDP
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1TD5
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![BU of 1td5 by Molmil](/molmil-images/mine/1td5) | Crystal Structure of the Ligand Binding Domain of E. coli IclR. | Descriptor: | Acetate operon repressor | Authors: | Walker, J.R, Evdokimova, L, Zhang, R.-G, Bochkarev, A, Joachimiak, A, Arrowsmith, C, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-05-21 | Release date: | 2004-07-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analyses of the Ligand Binding Sites of the IclR family of transcriptional regulators To be Published
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3QMM
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1IK8
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![BU of 1ik8 by Molmil](/molmil-images/mine/1ik8) | NMR structure of Alpha-Bungarotoxin | Descriptor: | LONG NEUROTOXIN 1 | Authors: | Niccolai, N, Ciutti, A, Spiga, O. | Deposit date: | 2001-05-03 | Release date: | 2001-05-16 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR structure of alpha-bungarotoxin free and bound to a mimotope of the nicotinic acetylcholine receptor. Biochemistry, 41, 2002
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4P1M
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![BU of 4p1m by Molmil](/molmil-images/mine/4p1m) | The structure of Escherichia coli ZapA | Descriptor: | CHLORIDE ION, Cell division protein ZapA | Authors: | Kimber, M.S, Roach, E.J, Khursigara, C.M. | Deposit date: | 2014-02-26 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure and Site-directed Mutational Analysis Reveals Key Residues Involved in Escherichia coli ZapA Function. J.Biol.Chem., 289, 2014
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4KPW
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6AHT
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![BU of 6aht by Molmil](/molmil-images/mine/6aht) | Plasmid partitioning protein TubR from Bacillus cereus | Descriptor: | Conserved hypothetical plasmid protein | Authors: | Hayashi, I. | Deposit date: | 2018-08-20 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cooperative DNA Binding of the Plasmid Partitioning Protein TubR from the Bacillus cereus pXO1 Plasmid. J.Mol.Biol., 430, 2018
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3HHX
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![BU of 3hhx by Molmil](/molmil-images/mine/3hhx) | Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, BENZENE-1,2,3-TRIOL, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Briganti, F. | Deposit date: | 2009-05-18 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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1IKC
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![BU of 1ikc by Molmil](/molmil-images/mine/1ikc) | NMR Structure of alpha-Bungarotoxin | Descriptor: | long neurotoxin 1 | Authors: | Niccolai, N, Spiga, O, Ciutti, A. | Deposit date: | 2001-05-03 | Release date: | 2001-05-16 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR structure of alpha-bungarotoxin free and bound to a mimotope of the nicotinic acetylcholine receptor. Biochemistry, 41, 2002
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5ZYX
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![BU of 5zyx by Molmil](/molmil-images/mine/5zyx) | Solution NMR structure of K30 peptide in 10 mM dioctanoyl phosphatidylglycerol (D8PG) | Descriptor: | ARG-TRP-LYS-ARG-HIS-ILE-SER-GLU-GLN-LEU-ARG-ARG-ARG-ASP-ARG-LEU-GLN-ARG-GLN-ALA | Authors: | Bhunia, A, Mohid, A, Stella, L, Calligari, P. | Deposit date: | 2018-05-28 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design, Synthesis, Antibacterial Potential, and Structural Characterization of N-Acylated Derivatives of the Human Autophagy 16 Polypeptide. Bioconjug.Chem., 30, 2019
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4PU2
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![BU of 4pu2 by Molmil](/molmil-images/mine/4pu2) | Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine L-(R)-LeuP | Descriptor: | Aminopeptidase N, GLYCEROL, LEUCINE PHOSPHONIC ACID, ... | Authors: | Nocek, B, Vassiliou, S, Berlicki, L, Mulligan, R, Mucha, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-03-11 | Release date: | 2014-06-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine To be Published
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4PEL
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![BU of 4pel by Molmil](/molmil-images/mine/4pel) | S1C mutant of Penicillin G acylase from Kluyvera citrophila | Descriptor: | CALCIUM ION, Penicillin G acylase subunit alpha, Penicillin G acylase subunit beta | Authors: | Ramasamy, S, Chand, D, Varshney, N.K, Brannigan, J.A, Wilkinson, A.J, Suresh, C.G. | Deposit date: | 2014-04-24 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Penicillin G acylase To Be Published
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4KZ3
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![BU of 4kz3 by Molmil](/molmil-images/mine/4kz3) | Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) | Descriptor: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | Deposit date: | 2013-05-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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3HHY
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![BU of 3hhy by Molmil](/molmil-images/mine/3hhy) | Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with catechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CATECHOL, CHLORIDE ION, ... | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-05-18 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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4PVB
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![BU of 4pvb by Molmil](/molmil-images/mine/4pvb) | Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine (D-(S)-LeuP) | Descriptor: | Aminopeptidase N, PHOSPHATE ION, SULFATE ION, ... | Authors: | Nocek, B, Vassiliou, S, Berlicki, L, Mulligan, R, Mucha, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-03-16 | Release date: | 2014-06-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine (D-(S)-LeuP) To be Published
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3HGI
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![BU of 3hgi by Molmil](/molmil-images/mine/3hgi) | Crystal structure of Catechol 1,2-Dioxygenase from the gram-positive Rhodococcus opacus 1CP | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, BENZOIC ACID, CARBONATE ION, ... | Authors: | Ferraroni, M, Matera, I, Briganti, F, Scozzafava, A. | Deposit date: | 2009-05-14 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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