3GS7
 
 | | Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13) | | Descriptor: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin | | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | | Deposit date: | 2009-03-26 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
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6FTP
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5KU6
 | | Crystal structure for the complex of human carbonic anhydrase IV and methazolamide | | Descriptor: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | Deposit date: | 2016-07-12 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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4UHR
 | | Thermostabilised HUMAN A2a Receptor with CGS21680 bound | | Descriptor: | 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR | | Authors: | Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G. | | Deposit date: | 2015-03-25 | | Release date: | 2015-04-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor.
Mol.Pharmacol., 87, 2015
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6GS2
 | | Crystal Structure of the GatD/MurT Enzyme Complex from Staphylococcus aureus | | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SA1707 protein, ... | | Authors: | Muckenfuss, L.M, Noeldeke, E.R, Niemann, V, Zocher, G, Stehle, T. | | Deposit date: | 2018-06-13 | | Release date: | 2018-09-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural basis of cell wall peptidoglycan amidation by the GatD/MurT complex of Staphylococcus aureus.
Sci Rep, 8, 2018
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3R5I
 | | Crystal structure of liganded Hemoglobin complexed with a potent Antisickling agent, INN-312 | | Descriptor: | 5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Safo, M.K, Musayev, F.N, Safo, R.P, Daniels, D, Eseonu, D.N, Parra, J. | | Deposit date: | 2011-03-18 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and in Vitro Chracterization of Pyridyl Derivatives of Benzaldehydes : Highly Potent Antisickling Agents
To be Published
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5KZ7
 | | Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one | | Descriptor: | 7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2 | | Authors: | Su, H.P, Munshi, S.K. | | Deposit date: | 2016-07-23 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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3AP4
 | | Crystal structure of the galectin-8 N-terminal carbohydrate recognition domain in complex with lactose | | Descriptor: | Galectin-8, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Matsuzaka, T, Ideo, H, Yamashita, K, Nonaka, T. | | Deposit date: | 2010-10-11 | | Release date: | 2011-01-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Galectin-8-N-domain recognition mechanism for sialylated and sulfated glycans
J.Biol.Chem., 286, 2011
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7F1P
 | | Crystal structure of Pseudomonas putida methionine gamma-lyase Q349S mutant ligand-free form. | | Descriptor: | L-methionine gamma-lyase | | Authors: | Okawa, A, Handa, H, Yasuda, E, Murota, M, Kudo, D, Tamura, T, Shiba, T, Inagaki, K. | | Deposit date: | 2021-06-09 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterization and application of l-methionine gamma-lyase Q349S mutant enzyme with an enhanced activity toward l-homocysteine.
J.Biosci.Bioeng., 133, 2022
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1T7T
 | | Crystal structure of the androgen receptor ligand binding domain in complex with 5-alpha dihydrotestosterone | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-10 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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6ERN
 | | HIV Hexamer with ligand | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Gag polyprotein | | Authors: | James, L.C. | | Deposit date: | 2017-10-18 | | Release date: | 2018-11-07 | | Last modified: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | HIV hexamer
To Be Published
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1T76
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a WxxVW motif | | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-08 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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1T7R
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxLF motif | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, FxxLF motif peptide | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-10 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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3V4T
 | | E. cloacae C115D MURA liganded with UNAG | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | | Authors: | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | | Deposit date: | 2011-12-15 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
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3M1S
 | | Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3 | | Descriptor: | Glycogen synthase kinase-3 beta, Ruthenium pyridocarbazole | | Authors: | Atilla-Gokcumen, G.E, Di Costanzo, L, Zimmermann, G, Meggers, E. | | Deposit date: | 2010-03-05 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.134 Å) | | Cite: | Structure of anticancer ruthenium half-sandwich complex bound to glycogen synthase kinase 3beta
J.Biol.Inorg.Chem., 16, 2011
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6JZA
 | | Structure of Fstl1 | | Descriptor: | Follistatin-related protein 1 | | Authors: | Liu, X, Ning, W. | | Deposit date: | 2019-04-30 | | Release date: | 2019-08-21 | | Last modified: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional study of FK domain of Fstl1.
Protein Sci., 28, 2019
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1T73
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxFF motif | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, FxxFF motif peptide, ... | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-07 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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2RIY
 | | B-specific-1,3-galactosyltransferase (GTB)+H-antigen acceptor | | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | Authors: | Evans, S.V, Alfaro, J.A. | | Deposit date: | 2007-10-13 | | Release date: | 2008-02-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
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7EIP
 | | Crystal structure of ligand-free chondroitin ABC lyase I | | Descriptor: | ACETATE ION, Chondroitin sulfate ABC endolyase, MAGNESIUM ION | | Authors: | Takashima, M, Miyanaga, A, Eguchi, T. | | Deposit date: | 2021-03-31 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Substrate specificity of Chondroitinase ABC I based on analyses of biochemical reactions and crystal structures in complex with disaccharides.
Glycobiology, 31, 2021
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2V5E
 | | The structure of the GDNF:Coreceptor complex: Insights into RET signalling and heparin binding. | | Descriptor: | 1,2-ETHANEDIOL, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Parkash, V, Leppanen, V.-M, Virtanen, H, Jurvansuu, J.-M, Bespalov, M.M, Sidorova, Y.A, Runeberg-Roos, P, Saarma, M, Goldman, A. | | Deposit date: | 2008-10-03 | | Release date: | 2008-10-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Structure of the Glial Cell Line-Derived Neurotrophic Factor-Coreceptor Complex: Insights Into Ret Signaling and Heparin Binding.
J.Biol.Chem., 283, 2008
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3R0Y
 | | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | | Deposit date: | 2011-03-09 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
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1ARL
 | | CARBOXYPEPTIDASE A WITH ZN REMOVED | | Descriptor: | APO-CARBOXYPEPTIDASE A=ALPHA= (COX) | | Authors: | Greenblatt, H.M, Feinberg, H, Tucker, P.A, Shoham, G. | | Deposit date: | 1994-11-22 | | Release date: | 1996-08-01 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Carboxypeptidase A: native, zinc-removed and mercury-replaced forms.
Acta Crystallogr.,Sect.D, 54, 1998
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2RJ4
 | | B-specific alpha-1,3-galactosyltransferase G176R +UDP+ADA | | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Evans, S.V, Alfaro, J.A. | | Deposit date: | 2007-10-14 | | Release date: | 2008-02-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
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2VQY
 | | Structure of AAC(6')-Ib in complex with Parmomycin and AcetylCoA. | | Descriptor: | AAC(6')-IB, ACETYL COENZYME *A, CALCIUM ION, ... | | Authors: | Vetting, M.W, Park, C.H, Hedge, S.S, Hooper, D.C, Blanchard, J.S. | | Deposit date: | 2008-03-20 | | Release date: | 2008-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanistic and Structural Analysis of Aminoglycoside N-Acetyltransferase Aac(6')-Ib and its Bifunctional, Fluoroquinolone-Active Aac(6')-Ib-Cr Variant.
Biochemistry, 47, 2008
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2RIX
 | | B-specific-1,3-galactosyltransferase)(GTB) + UDP | | Descriptor: | GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, ... | | Authors: | Evans, S.V, Alfaro, J.A. | | Deposit date: | 2007-10-13 | | Release date: | 2008-02-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
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