3V0E
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![BU of 3v0e by Molmil](/molmil-images/mine/3v0e) | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 256-576(C363S) | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | Deposit date: | 2011-12-07 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A glutamate switch controls voltage-sensitive phosphatase function. Nat.Struct.Mol.Biol., 19, 2012
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3V0H
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![BU of 3v0h by Molmil](/molmil-images/mine/3v0h) | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), complexed with D-MYO-inositol-1,4,5-triphosphate | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Voltage-sensor containing phosphatase | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | Deposit date: | 2011-12-08 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A glutamate switch controls voltage-sensitive phosphatase function. Nat.Struct.Mol.Biol., 19, 2012
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4IFD
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4NCY
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![BU of 4ncy by Molmil](/molmil-images/mine/4ncy) | In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | Deposit date: | 2013-10-25 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes. Acta Crystallogr.,Sect.D, 70, 2014
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3E7K
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4KT1
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![BU of 4kt1 by Molmil](/molmil-images/mine/4kt1) | Complex of R-spondin 1 with LGR4 extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing G-protein coupled receptor 4, ... | Authors: | Wang, X.Q, Wang, D.L. | Deposit date: | 2013-05-19 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structural basis for R-spondin recognition by LGR4/5/6 receptors Genes Dev., 27, 2013
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4AJY
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![BU of 4ajy by Molmil](/molmil-images/mine/4ajy) | von Hippel-Lindau protein-ElonginB-ElonginC complex, bound to Hif1- alpha peptide | Descriptor: | GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | Deposit date: | 2012-02-21 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface. Chem.Biol., 19, 2012
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4AWJ
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![BU of 4awj by Molmil](/molmil-images/mine/4awj) | pVHL:EloB:EloC complex, in complex with capped Hydroxyproline | Descriptor: | (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ... | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | Deposit date: | 2012-06-04 | Release date: | 2012-11-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface. Chem.Biol., 19, 2012
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4B55
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![BU of 4b55 by Molmil](/molmil-images/mine/4b55) | Crystal Structure of the Covalent Adduct Formed between Mycobacterium marinum Aryalamine N-acetyltransferase and Phenyl vinyl ketone a derivative of Piperidinols | Descriptor: | 3-hydroxy-1-phenylpropan-1-one, ARYLAMINE N-ACETYLTRANSFERASE NAT | Authors: | Abuhammad, A, Fullam, E, Lowe, E.D, Staunton, D, Kawamura, A, Westwood, I.M, Bhakta, S, Garner, A.C, Wilson, D.L, Seden, P.T, Davies, S.G, Russell, A.J, Garman, E.F, Sim, E. | Deposit date: | 2012-08-02 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Piperidinols that Show Anti-Tubercular Activity as Inhibitors of Arylamine N-Acetyltransferase: An Essential Enzyme for Mycobacterial Survival Inside Macrophages. Plos One, 7, 2012
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3A4J
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![BU of 3a4j by Molmil](/molmil-images/mine/3a4j) | arPTE (K185R/D208G/N265D/T274N) | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase | Authors: | Foo, J.L, Jackson, C.J, Carr, P.D, Ollis, D.L. | Deposit date: | 2009-07-07 | Release date: | 2010-01-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase Proc.Natl.Acad.Sci.USA, 2009
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3A61
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![BU of 3a61 by Molmil](/molmil-images/mine/3a61) | Crystal structure of unphosphorylated p70S6K1 (Form II) | Descriptor: | Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-18 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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4B95
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![BU of 4b95 by Molmil](/molmil-images/mine/4b95) | pVHL-EloB-EloB-EloC complex_(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound | Descriptor: | (2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | Authors: | Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M. | Deposit date: | 2012-08-31 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1Alpha Angew.Chem.Int.Ed.Engl., 51, 2012
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4MLN
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![BU of 4mln by Molmil](/molmil-images/mine/4mln) | Crystal of PhnZ bound to (R)-2-amino-1-hydroxyethylphosphonic acid | Descriptor: | FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid | Authors: | van Staalduinen, L.M, McSorley, F.R, Zechel, D.L, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2013-09-06 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates. Proc.Natl.Acad.Sci.USA, 111, 2014
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2ZO9
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![BU of 2zo9 by Molmil](/molmil-images/mine/2zo9) | Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal ion preference | Descriptor: | FE (II) ION, MALONATE ION, Phosphohydrolase | Authors: | Jackson, C.J, Carr, P.D, Ollis, D.L. | Deposit date: | 2008-05-07 | Release date: | 2008-10-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal-ion preference. Acta Crystallogr.,Sect.F, 64, 2008
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3A3X
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![BU of 3a3x by Molmil](/molmil-images/mine/3a3x) | Structure of OpdA mutant (G60A/A80V/R118Q/K185R/Q206P/D208G/I260T/G273S) | Descriptor: | COBALT (II) ION, Phosphotriesterase | Authors: | Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K. | Deposit date: | 2009-06-23 | Release date: | 2010-01-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase Proc.Natl.Acad.Sci.USA, 2009
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3A60
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![BU of 3a60 by Molmil](/molmil-images/mine/3a60) | Crystal structure of unphosphorylated p70S6K1 (Form I) | Descriptor: | Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-17 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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3C86
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![BU of 3c86 by Molmil](/molmil-images/mine/3c86) | OpdA from agrobacterium radiobacter with bound product diethyl thiophosphate from crystal soaking with tetraethyl dithiopyrophosphate- 1.8 A | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ... | Authors: | Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G. | Deposit date: | 2008-02-10 | Release date: | 2008-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase J.Mol.Biol., 375, 2008
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3BX7
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3LCR
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![BU of 3lcr by Molmil](/molmil-images/mine/3lcr) | Thioesterase from Tautomycetin Biosynthhetic Pathway | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, Tautomycetin biosynthetic PKS | Authors: | Akey, D.L, Scaglione, J.B, Smith, J.L, Sherman, D.H. | Deposit date: | 2010-01-11 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical and structural characterization of the tautomycetin thioesterase: analysis of a stereoselective polyketide hydrolase. Angew.Chem.Int.Ed.Engl., 49, 2010
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6DFK
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![BU of 6dfk by Molmil](/molmil-images/mine/6dfk) | Crystal structure of the 11S subunit of the Plasmodium falciparum proteasome, PA28 | Descriptor: | SULFATE ION, Subunit of proteaseome activator complex,putative | Authors: | Xie, S.C, Metcalfe, R.D, Gillett, D.L, Tilley, L, Griffin, M.D.W. | Deposit date: | 2018-05-15 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis. Nat Microbiol, 4, 2019
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2BSW
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![BU of 2bsw by Molmil](/molmil-images/mine/2bsw) | Crystal structure of a glyphosate-N-acetyltransferase obtained by DNA shuffling. | Descriptor: | GLYCEROL, GLYPHOSATE N-ACETYLTRANSFERASE, OXIDIZED COENZYME A, ... | Authors: | Keenan, R.J, Siehl, D.L, Gorton, R, Castle, L.A. | Deposit date: | 2005-05-24 | Release date: | 2005-06-08 | Last modified: | 2015-10-14 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | DNA Shuffling as a Tool for Protein Crystallization. Proc.Natl.Acad.Sci.USA, 102, 2005
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8S99
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![BU of 8s99 by Molmil](/molmil-images/mine/8s99) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | Descriptor: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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2BPN
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![BU of 2bpn by Molmil](/molmil-images/mine/2bpn) | SOLUTION STRUCTURE OF DESULFOVIBRIO VULGARIS (HILDENBOROUGH) FERRICYTOCHROME C3, NMR, 20 STRUCTURES | Descriptor: | CYTOCHROME C3, HEME C | Authors: | Messias, A.C, Aguiar, A.P, Brennan, L, Xavier, A.V, Turner, D.L. | Deposit date: | 2005-04-21 | Release date: | 2006-03-15 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Solution Structures of Tetrahaem Ferricytochrome C(3) from Desulfovibrio Vulgaris (Hildenborough) and its K45Q Mutant: The Molecular Basis of Cooperativity. Biochim.Biophys.Acta, 1757, 2006
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8S9A
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![BU of 8s9a by Molmil](/molmil-images/mine/8s9a) | Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279 | Descriptor: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8S98
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![BU of 8s98 by Molmil](/molmil-images/mine/8s98) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | Descriptor: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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