2O1T
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6G9Q
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2AL5
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![BU of 2al5 by Molmil](/molmil-images/mine/2al5) | Crystal structure of the GluR2 ligand binding core (S1S2J) in complex with fluoro-willardiine and aniracetam | Descriptor: | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE, 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2 | Authors: | Jin, R, Clark, S, Weeks, A.M, Dudman, J.T, Gouaux, E, Partin, K.M. | Deposit date: | 2005-08-04 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mechanism of positive allosteric modulators acting on AMPA receptors. J.Neurosci., 25, 2005
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2AV9
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![BU of 2av9 by Molmil](/molmil-images/mine/2av9) | Crystal Structure of the PA5185 protein from Pseudomonas Aeruginosa Strain PAO1. | Descriptor: | SULFATE ION, Thioesterase | Authors: | Chruszcz, M, Wang, S, Cymborowski, M, Kudritska, M, Evdokimova, E, Edwards, A, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-08-29 | Release date: | 2005-10-18 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1. Cryst.Growth Des., 8, 2008
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2O8H
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![BU of 2o8h by Molmil](/molmil-images/mine/2o8h) | Crystal structure of the catalytic domain of rat phosphodiesterase 10A | Descriptor: | 6,7-DIMETHOXY-4-{8-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-3,4-DIHYDROISOQUINOLIN-2(1H)-YL}QUINAZOLINE, MAGNESIUM ION, Phosphodiesterase-10A, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2006-12-12 | Release date: | 2007-01-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors J.Med.Chem., 50, 2007
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4KU7
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![BU of 4ku7 by Molmil](/molmil-images/mine/4ku7) | Structures of PKGI Reveal a cGMP-Selective Activation Mechanism | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1 | Authors: | Huang, G.Y, Kim, J.J, Reger, A.S, Lorenz, R, Moon, E.W, Casteel, D.E, Sankaran, B, Herberg, F.W, Kim, C. | Deposit date: | 2013-05-21 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for Cyclic-Nucleotide Selectivity and cGMP-Selective Activation of PKG I. Structure, 22, 2014
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3M4E
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7P0G
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3ZL5
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![BU of 3zl5 by Molmil](/molmil-images/mine/3zl5) | Crystal structure of Schistosoma mansoni Peroxiredoxin I C48S mutant with one decamer in the ASU | Descriptor: | DI(HYDROXYETHYL)ETHER, PEROXIREDOXIN I, SULFATE ION | Authors: | Saccoccia, F, Angelucci, F, Ardini, M, Boumis, G, Brunori, M, DiLeandro, L, Ippoliti, R, Miele, A.E, Natoli, G, Scotti, S, Bellelli, A. | Deposit date: | 2013-01-28 | Release date: | 2013-09-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis J.Mol.Biol., 425, 2013
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6GUD
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![BU of 6gud by Molmil](/molmil-images/mine/6gud) | Siderophore hydrolase EstB from Aspergillus fumigatus | Descriptor: | CARBONATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Ecker, F, Haas, H, Groll, M, Huber, E.M. | Deposit date: | 2018-06-19 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases. Angew. Chem. Int. Ed. Engl., 57, 2018
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2ZDP
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![BU of 2zdp by Molmil](/molmil-images/mine/2zdp) | Crystal structure of IsdI in complex with Cobalt protoporphyrin IX | Descriptor: | CHLORIDE ION, Heme-degrading monooxygenase isdI, PROTOPORPHYRIN IX CONTAINING CO | Authors: | Lee, W.C, Reniere, M.L, Skaar, E.P, Murphy, M.E.P. | Deposit date: | 2007-11-27 | Release date: | 2008-08-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ruffling of Metalloporphyrins Bound to IsdG and IsdI, Two Heme-degrading Enzymes in Staphylococcus aureus J.Biol.Chem., 283, 2008
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6GUN
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![BU of 6gun by Molmil](/molmil-images/mine/6gun) | Siderophore hydrolase EstB from Aspergillus nidulans | Descriptor: | EstB from Aspergillus nidulans, GLYCEROL | Authors: | Ecker, F, Haas, H, Groll, M, Huber, E.M. | Deposit date: | 2018-06-19 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases. Angew. Chem. Int. Ed. Engl., 57, 2018
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5QE0
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![BU of 5qe0 by Molmil](/molmil-images/mine/5qe0) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000648a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | Deposit date: | 2018-08-30 | Release date: | 2018-10-10 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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2F6T
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![BU of 2f6t by Molmil](/molmil-images/mine/2f6t) | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | Descriptor: | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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5QEG
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![BU of 5qeg by Molmil](/molmil-images/mine/5qeg) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000278a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | Deposit date: | 2018-08-30 | Release date: | 2018-10-10 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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6FLZ
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![BU of 6flz by Molmil](/molmil-images/mine/6flz) | Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with methyl-mannose. | Descriptor: | CITRIC ACID, Jacalin-like lectin, methyl alpha-D-mannopyranoside | Authors: | Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P. | Deposit date: | 2018-01-29 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem. Sci Rep, 8, 2018
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2VY1
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![BU of 2vy1 by Molmil](/molmil-images/mine/2vy1) | Structure of LEAFY transcription factor from Arabidopsis thaliana in complex with DNA from AP1 promoter | Descriptor: | 5'-D(*TP*TP*AP*CP*GP*GP*AP*CP*CP*AP *CP*TP*GP*GP*TP*CP*CP*TP*TP*CP)-3', PROTEIN LEAFY | Authors: | Hames, C, Ptchelkine, D, Grimm, C, Thevenon, E, Moyroud, E, Gerard, F, Martiel, J.L, Benlloch, R, Parcy, F, Muller, C.W. | Deposit date: | 2008-07-16 | Release date: | 2008-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Structural Basis for Leafy Floral Switch Function and Similarity with Helix-Turn-Helix Proteins. Embo J., 27, 2008
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5QF0
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![BU of 5qf0 by Molmil](/molmil-images/mine/5qf0) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000216b | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-phenylthiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | Deposit date: | 2018-08-30 | Release date: | 2018-10-10 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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4IXJ
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![BU of 4ixj by Molmil](/molmil-images/mine/4ixj) | The structure of PilJ, a Type IV pilin from Clostridium difficile | Descriptor: | Fimbrial protein (Pilin), GLYCEROL, ZINC ION | Authors: | Piepenbrink, K.H, Sundberg, E.J, Snyder, G.A. | Deposit date: | 2013-01-25 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | Structure of Clostridium difficile PilJ Exhibits Unprecedented Divergence from Known Type IV Pilins. J.Biol.Chem., 289, 2014
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5QFR
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![BU of 5qfr by Molmil](/molmil-images/mine/5qfr) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000497a | Descriptor: | (1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | Deposit date: | 2018-08-30 | Release date: | 2018-10-10 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.622 Å) | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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3HXX
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5QFZ
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![BU of 5qfz by Molmil](/molmil-images/mine/5qfz) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000711a | Descriptor: | (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | Deposit date: | 2018-08-30 | Release date: | 2018-10-10 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.723 Å) | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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4KVI
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![BU of 4kvi by Molmil](/molmil-images/mine/4kvi) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolin-1-ium | Descriptor: | (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium, Aristolochene synthase, MAGNESIUM ION, ... | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-22 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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6H34
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![BU of 6h34 by Molmil](/molmil-images/mine/6h34) | The crystal structure of human carbonic anhydrase II in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | Descriptor: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | Deposit date: | 2018-07-17 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
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6FWK
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