3PBJ
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![BU of 3pbj by Molmil](/molmil-images/mine/3pbj) | Hydrolytic catalysis and structural stabilization in a designed metalloprotein | Descriptor: | CHLORIDE ION, COIL SER L9L-Pen L23H, MERCURY (II) ION, ... | Authors: | Zastrow, M.L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2010-10-20 | Release date: | 2011-11-30 | Last modified: | 2022-05-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Hydrolytic catalysis and structural stabilization in a designed metalloprotein. Nat Chem, 4, 2012
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4EW7
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![BU of 4ew7 by Molmil](/molmil-images/mine/4ew7) | The crystal structure of conjugative transfer PAS_like domain from Salmonella enterica subsp. enterica serovar Typhimurium | Descriptor: | ACETIC ACID, CHLORIDE ION, Conjugative transfer: regulation, ... | Authors: | Wu, R, Jedrzejczak, R.P, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Adkins, J.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | Deposit date: | 2012-04-26 | Release date: | 2012-09-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The crystal structure of conjugative transfer PAS_like domain from Salmonella enterica subsp. enterica serovar Typhimurium To be Published
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4NHS
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![BU of 4nhs by Molmil](/molmil-images/mine/4nhs) | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (9 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-05 | Release date: | 2014-09-17 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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2VWM
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![BU of 2vwm by Molmil](/molmil-images/mine/2vwm) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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4NHX
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![BU of 4nhx by Molmil](/molmil-images/mine/4nhx) | Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with N-oxalylglycine (NOG) | Descriptor: | 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Horita, S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-11-05 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases. Structure, 23, 2015
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4NIJ
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![BU of 4nij by Molmil](/molmil-images/mine/4nij) | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (30 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-06 | Release date: | 2014-09-17 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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3PDV
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![BU of 3pdv by Molmil](/molmil-images/mine/3pdv) | |
3PC4
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![BU of 3pc4 by Molmil](/molmil-images/mine/3pc4) | |
2VVC
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![BU of 2vvc by Molmil](/molmil-images/mine/2vvc) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-05 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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4MUA
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![BU of 4mua by Molmil](/molmil-images/mine/4mua) | Schistosoma mansoni (Blood Fluke) Sulfotransferase | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, Sulfotransferase | Authors: | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | Deposit date: | 2013-09-21 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites. Science, 342, 2013
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3PBX
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![BU of 3pbx by Molmil](/molmil-images/mine/3pbx) | |
4MZX
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![BU of 4mzx by Molmil](/molmil-images/mine/4mzx) | Crystal Structure of Benzoylformate Decarboxylase Mutant T377L/A460Y | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxlyase, CALCIUM ION, ... | Authors: | Andrews, F.H, McLeish, M.J. | Deposit date: | 2013-09-30 | Release date: | 2015-04-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.558 Å) | Cite: | Mechanistic and structural insight to an evolved benzoylformate decarboxylase with enhanced
activity towards pyruvate To be Published
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2X7R
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![BU of 2x7r by Molmil](/molmil-images/mine/2x7r) | |
3PK8
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![BU of 3pk8 by Molmil](/molmil-images/mine/3pk8) | Urate oxidase under 0.5 MPa / 5 bars pressure of nitrous oxide | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase | Authors: | Marassio, G, Colloc'h, N, Prange, T, Abraini, J.H. | Deposit date: | 2010-11-11 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Pressure-response analysis of anesthetic gases xenon and nitrous oxide on urate oxidase: a crystallographic study. Faseb J., 25, 2011
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3PLG
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![BU of 3plg by Molmil](/molmil-images/mine/3plg) | urate oxidase under 1.0 MPa / 10 bars pressure of equimolar mixture xenon : nitrous oxide | Descriptor: | 8-AZAXANTHINE, NITROUS OXIDE, SODIUM ION, ... | Authors: | Marassio, G, Colloc'h, N, Prange, T, Abraini, J.H. | Deposit date: | 2010-11-15 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Pressure-response analysis of anesthetic gases xenon and nitrous oxide on urate oxidase: a crystallographic study. Faseb J., 25, 2011
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4DRT
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![BU of 4drt by Molmil](/molmil-images/mine/4drt) | Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89 | Descriptor: | CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ... | Authors: | Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-02-17 | Release date: | 2012-04-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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1SV5
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![BU of 1sv5 by Molmil](/molmil-images/mine/1sv5) | CRYSTAL STRUCTURE OF K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R165335 | Descriptor: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse Transcriptase | Authors: | Das, K, Arnold, E. | Deposit date: | 2004-03-27 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants J.Med.Chem., 47, 2004
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4N9M
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![BU of 4n9m by Molmil](/molmil-images/mine/4n9m) | Joint neutron/x-ray structure of urate oxidase in complex with 8-hydroxyxanthine | Descriptor: | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, CHLORIDE ION, SODIUM ION, ... | Authors: | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | Deposit date: | 2013-10-21 | Release date: | 2014-02-05 | Last modified: | 2018-06-13 | Method: | NEUTRON DIFFRACTION (2.023 Å), X-RAY DIFFRACTION | Cite: | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation. Plos One, 9, 2014
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4DWB
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![BU of 4dwb by Molmil](/molmil-images/mine/4dwb) | Crystal structure of Trypanosoma cruzi farnesyl diphosphate synthase in complex with [2-(n-pentylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, Farnesyl pyrophosphate synthase, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-02-24 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
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3GWU
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![BU of 3gwu by Molmil](/molmil-images/mine/3gwu) | Leucine transporter LeuT in complex with sertraline | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, LEUCINE, SODIUM ION, ... | Authors: | Zhou, Z, Zhen, J, Karpowich, N.K, Law, C.J, Reith, M.E.A, Wang, D.N. | Deposit date: | 2009-04-01 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures. Nat.Struct.Mol.Biol., 16, 2009
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3GTD
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![BU of 3gtd by Molmil](/molmil-images/mine/3gtd) | |
4NLU
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![BU of 4nlu by Molmil](/molmil-images/mine/4nlu) | Poliovirus Polymerase - G289A Loop Mutant | Descriptor: | ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ... | Authors: | Sholders, A.J, Peersen, O.B. | Deposit date: | 2013-11-14 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Distinct conformations of a putative translocation element in poliovirus polymerase. J.Mol.Biol., 426, 2014
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4DJA
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![BU of 4dja by Molmil](/molmil-images/mine/4dja) | Crystal structure of a prokaryotic (6-4) photolyase PhrB from Agrobacterium Tumefaciens with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore at 1.45A resolution | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Scheerer, P, Zhang, F, Oberpichler, I, Lamparter, T, Krauss, N. | Deposit date: | 2012-02-01 | Release date: | 2013-04-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of a prokaryotic (6-4) photolyase with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore. Proc.Natl.Acad.Sci.USA, 110, 2013
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4NLS
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![BU of 4nls by Molmil](/molmil-images/mine/4nls) | Poliovirus Polymerase - S288A Loop Mutant | Descriptor: | ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ... | Authors: | Sholders, A.J, Peersen, O.B. | Deposit date: | 2013-11-14 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Distinct conformations of a putative translocation element in poliovirus polymerase. J.Mol.Biol., 426, 2014
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3NJO
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![BU of 3njo by Molmil](/molmil-images/mine/3njo) | X-ray crystal structure of the Pyr1-pyrabactin A complex | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYR1, CHLORIDE ION, ... | Authors: | Burgie, E.S, Bingman, C.A, Phillips Jr, G.N, Peterson, F.C, Volkman, B.F, Cutler, S.R, Jensen, D.R, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2010-06-17 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.473 Å) | Cite: | Structural basis for selective activation of ABA receptors. Nat.Struct.Mol.Biol., 17, 2010
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