4DAJ
 
 | | Structure of the M3 Muscarinic Acetylcholine Receptor | | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ... | | Authors: | Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B. | | Deposit date: | 2012-01-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure and dynamics of the M3 muscarinic acetylcholine receptor.
Nature, 482, 2012
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5UT1
 | | JAK2 JH2 in complex with BI-D1870 | | Descriptor: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Puleo, D.E, Schlessinger, J. | | Deposit date: | 2017-02-14 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
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5UT6
 | | JAK2 JH2 in complex with a diaminopyrimidine | | Descriptor: | 4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Puleo, D.E, Schlessinger, J. | | Deposit date: | 2017-02-14 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.645 Å) | | Cite: | JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules.
ACS Med Chem Lett, 8, 2017
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5UT3
 | | JAK2 JH2 in complex with IKK-2 Inhibitor VI | | Descriptor: | 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, ACETATE ION, GLYCEROL, ... | | Authors: | Puleo, D.E, Schlessinger, J. | | Deposit date: | 2017-02-14 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
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5T4D
 | | Cryo-EM structure of Polycystic Kidney Disease protein 2 (PKD2), residues 198-703 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, hPKD:198-703, Polycystin-2 | | Authors: | Shen, P.S, Yang, X, DeCaen, P.G, Liu, X, Bulkley, D, Clapham, D.E, Cao, E. | | Deposit date: | 2016-08-29 | | Release date: | 2016-11-02 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The Structure of the Polycystic Kidney Disease Channel PKD2 in Lipid Nanodiscs.
Cell, 167, 2016
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5D84
 | | Staphyloferrin B precursor biosynthetic enzyme SbnA bound to PLP | | Descriptor: | MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, Probable siderophore biosynthesis protein SbnA | | Authors: | Grigg, J.C, Kobylarz, M.J, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | | Deposit date: | 2015-08-15 | | Release date: | 2016-02-03 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Biochemistry, 55, 2016
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5CRO
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4F1N
 | | Crystal structure of Kluyveromyces polysporus Argonaute with a guide RNA | | Descriptor: | KpAGO, RNA 5'-R(P*UP*AP*AP*AP*AP*AP*AP*AP*A)-3' | | Authors: | Nakanishi, K, Weinberg, D.E, Bartel, D.P, Patel, D.J. | | Deposit date: | 2012-05-07 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.187 Å) | | Cite: | Structure of yeast Argonaute with guide RNA.
Nature, 486, 2012
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4FIL
 | | Structure of FhuD2 from Staphylococcus Aureus with Bound Ferrioxamine B | | Descriptor: | 1,2-ETHANEDIOL, Ferric hydroxamate receptor 2, Ferrioxamine B, ... | | Authors: | Briere, L.K, Heinrichs, D.E, Shilton, B.H. | | Deposit date: | 2012-06-08 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal and solution structure analysis of FhuD2 from Staphylococcus aureus in multiple unliganded conformations and bound to ferrioxamine-B.
Biochemistry, 53, 2014
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4FXI
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5USY
 | | JAK2 JH1 in complex with JNJ-7706621 | | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, SULFATE ION, ... | | Authors: | Puleo, D.E, Schlessinger, J. | | Deposit date: | 2017-02-14 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
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5UT0
 | | JAK2 JH2 in complex with AT9283 | | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Puleo, D.E, Schlessinger, J. | | Deposit date: | 2017-02-14 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
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5UT5
 | | JAK2 JH2 in complex with GLPG0634 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Puleo, D.E, Schlessinger, J. | | Deposit date: | 2017-02-14 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules.
ACS Med Chem Lett, 8, 2017
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1SPA
 | | ROLE OF ASP222 IN THE CATALYTIC MECHANISM OF ESCHERICHIA COLI ASPARTATE AMINOTRANSFERASE: THE AMINO ACID RESIDUE WHICH ENHANCES THE FUNCTION OF THE ENZYME-BOUND COENZYME PYRIDOXAL 5'-PHOSPHATE | | Descriptor: | ASPARTATE AMINOTRANSFERASE, N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5-PHOSPHATE | | Authors: | Hinoue, Y, Yano, T, Metzler, D.E, Miyahara, I, Hirotsu, K, Kagamiyama, H. | | Deposit date: | 1993-01-26 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Role of Asp222 in the catalytic mechanism of Escherichia coli aspartate aminotransferase: the amino acid residue which enhances the function of the enzyme-bound coenzyme pyridoxal 5'-phosphate.
Biochemistry, 31, 1992
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5B4P
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4G3K
 | | Crystal structure of a. aeolicus nlh1 gaf domain in an inactive state | | Descriptor: | Transcriptional regulator nlh1 | | Authors: | Wemmer, D.E, Batchelor, J.D, Wang, A, Lee, P, Doucleff, M. | | Deposit date: | 2012-07-14 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus
J.Mol.Biol., 425, 2013
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5DSF
 | | Crystal structure of the mercury-bound form of MerB mutant D99S | | Descriptor: | Alkylmercury lyase, BROMIDE ION, MERCURY (II) ION | | Authors: | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | Deposit date: | 2015-09-17 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
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4FXH
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5DW7
 | | Crystal structure of the unliganded geosmin synthase N-terminal domain from Streptomyces coelicolor | | Descriptor: | Germacradienol/geosmin synthase | | Authors: | Lombardi, P.M, Harris, G.G, Pemberton, T.A, Matsui, T, Weiss, T.M, Cole, K.E, Koksal, M, Murphy, F.V, Vedula, L.S, Chou, W.K, Cane, D.E, Christianson, D.W. | | Deposit date: | 2015-09-22 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Structural Studies of Geosmin Synthase, a Bifunctional Sesquiterpene Synthase with alpha alpha Domain Architecture That Catalyzes a Unique Cyclization-Fragmentation Reaction Sequence.
Biochemistry, 54, 2015
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5TMN
 | | Slow-and fast-binding inhibitors of thermolysin display different modes of binding. crystallographic analysis of extended phosphonamidate transition-state analogues | | Descriptor: | CALCIUM ION, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine, THERMOLYSIN, ... | | Authors: | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
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5BNW
 | | The active site of O-GlcNAc transferase imposes constraints on substrate sequence | | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, laminB1 residues 179-191 | | Authors: | Pathak, S, Alonso, J, Schimpl, M, Rafie, K, Blair, D.E, Borodkin, V.S, Albarbarawi, O, van Aalten, D.M.F. | | Deposit date: | 2015-05-26 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
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5BV7
 | | Crystal structure of human LCAT (L4F, N5D) in complex with Fab of an agonistic antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 27C3 heavy chain, 27C3 light chain, ... | | Authors: | Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C. | | Deposit date: | 2015-06-04 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Agonistic Human Antibodies Binding to Lecithin-Cholesterol Acyltransferase Modulate High Density Lipoprotein Metabolism.
J.Biol.Chem., 291, 2016
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4FID
 | | Crystal structure of a heterotrimeric G-Protein subunit from entamoeba histolytica, EHG-ALPHA-1 | | Descriptor: | G protein alpha subunit, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Bosch, D.E, Kimple, A.J, Muller, R.E, Gigure, P.M, Willard, F.S, Machius, M, Temple, B.R, Siderovski, D.P. | | Deposit date: | 2012-06-08 | | Release date: | 2012-11-28 | | Last modified: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Heterotrimeric G-protein Signaling Is Critical to Pathogenic Processes in Entamoeba histolytica.
Plos Pathog., 8, 2012
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5C17
 | | Crystal structure of the mercury-bound form of MerB2 | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, MERCURY (II) ION, ... | | Authors: | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | Deposit date: | 2015-06-13 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
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4GPR
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