6R0H
 
 | | Glycogen Phosphorylase b in complex with 3 | | Descriptor: | 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide, Glycogen phosphorylase, muscle form, ... | | Authors: | Tsagkarakou, S.A, Koulas, M.S, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-03-13 | | Release date: | 2019-04-10 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors.
Molecules, 24, 2019
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8OJM
 | | Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-D-galacto-heptonamide | | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
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8OJI
 | | Galectin-3 in complex with Methyl 2,6-anhydro-3-deoxy-3-S-(b-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonate | | Descriptor: | 1-thio-beta-D-galactopyranose, CHLORIDE ION, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
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8OJK
 | | Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonamide | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
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8OJO
 | | Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol | | Descriptor: | 1-deoxy-alpha-D-mannopyranose, 1-thio-beta-D-galactopyranose, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
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8PPN
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3MPY
 | | Structure of EUTM in 2-D protein membrane | | Descriptor: | Ethanolamine utilization protein eutM, SULFATE ION | | Authors: | Sagermann, M, Takenoya, M, Nikolakakis, K. | | Deposit date: | 2010-04-27 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic insights into the pore structures and mechanisms of the EutL and EutM shell proteins of the ethanolamine-utilizing microcompartment of Escherichia coli.
J.Bacteriol., 192, 2010
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3MPV
 | | Structure of EUTL in the zinc-induced open form | | Descriptor: | BETA-MERCAPTOETHANOL, Ethanolamine utilization protein eutL, ZINC ION | | Authors: | Sagermann, M, Takenoya, M, Nikolakakis, K. | | Deposit date: | 2010-04-27 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystallographic insights into the pore structures and mechanisms of the EutL and EutM shell proteins of the ethanolamine-utilizing microcompartment of Escherichia coli.
J.Bacteriol., 192, 2010
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1P7L
 | | S-Adenosylmethionine synthetase complexed with AMPPNP and Met. | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, METHIONINE, ... | | Authors: | Takusagawa, F, Komoto, J. | | Deposit date: | 2003-05-02 | | Release date: | 2004-03-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the s-adenosylmethionine synthetase ternary complex: a novel catalytic mechanism of s-adenosylmethionine synthesis from ATP and MET.
Biochemistry, 43, 2004
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1K0U
 | | Inhibition of S-adenosylhomocysteine Hydrolase by "acyclic sugar" Adenosine Analogue D-eritadenine | | Descriptor: | D-ERITADENINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE | | Authors: | Takusagawa, F, Huang, Y, Komoto, J, Takata, Y, Gomi, T, Ogawa, H, Fujioka, M, Powell, D. | | Deposit date: | 2001-09-20 | | Release date: | 2001-10-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Inhibition of S-adenosylhomocysteine hydrolase by acyclic sugar adenosine analogue D-eritadenine. Crystal structure of S-adenosylhomocysteine hydrolase complexed with D-eritadenine.
J.Biol.Chem., 277, 2002
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1KHH
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2PBJ
 | | GSH-heme bound microsomal prostaglandin E synthase | | Descriptor: | CHLORIDE ION, GLUTATHIONE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Takusagawa, F, Yamada, T. | | Deposit date: | 2007-03-28 | | Release date: | 2008-02-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | PGH2 degradation pathway catalyzed by GSH-heme complex bound microsomal prostaglandin E2 synthase type 2: the first example of a dual-function enzyme.
Biochemistry, 46, 2007
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2OKY
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5WA2
 | | Crystal structure of Toxoplasma gondii SAG3 (SRS57) | | Descriptor: | GLYCEROL, Surface antigen | | Authors: | Parker, M.L, Boulanger, M.J. | | Deposit date: | 2017-06-24 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | A Toxoplasma lectin-specific activity for sulfated proteoglycans thought to promote infection competency is not dependent on TgSRS57 (TgSAG3)
To be published
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5ZUI
 | | Crystal Structure of HSP104 from Chaetomium thermophilum | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat Shock Protein 104, SULFATE ION | | Authors: | Hanazono, Y, Inoue, Y, Noguchi, K, Yohda, M, Shinohara, K, Takeda, K, Miki, K. | | Deposit date: | 2018-05-07 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Split conformation of Chaetomium thermophilum Hsp104 disaggregase.
Structure, 2021
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6Q6Z
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4B7Y
 | | Crystal structure of the MSL1-MSL2 complex | | Descriptor: | MALE-SPECIFIC LETHAL 1 HOMOLOG, MALE-SPECIFIC LETHAL 2 HOMOLOG, ZINC ION | | Authors: | Hallacli, E, Lipp, M, Georgiev, P, Spielman, C, Cusack, S, Akhtar, A, Kadlec, J. | | Deposit date: | 2012-08-24 | | Release date: | 2013-02-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Msl1-Mediated Dimerization of the Dosage Compensation Complex is Essential for Male X-Chromosome Regulation in Drosophila.
Mol.Cell, 48, 2012
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4B86
 | | Crystal structure of the MSL1-MSL2 complex (3.5A) | | Descriptor: | MALE-SPECIFIC LETHAL 1 HOMOLOG, MALE-SPECIFIC LETHAL 2 HOMOLOG, ZINC ION | | Authors: | Hallacli, E, Lipp, M, Georgiev, P, Spielman, C, Cusack, S, Akhtar, A, Kadlec, J. | | Deposit date: | 2012-08-24 | | Release date: | 2013-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Msl1-Mediated Dimerization of the Dosage Compensation Complex is Essential for Male X-Chromosome Regulation in Drosophila.
Mol.Cell, 48, 2012
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7NF9
 | | N-terminal C2H2 Zn-finger domain of Clamp | | Descriptor: | Chromatin-linked adaptor for MSL proteins, isoform A, ZINC ION | | Authors: | Mariasina, S.S, Bonchuk, A.N, Tikhonova, E.A, Efimov, S.V, Maksimenko, O.G, Georgiev, P.G, Polshakov, V.I. | | Deposit date: | 2021-02-05 | | Release date: | 2021-12-29 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural basis for interaction between CLAMP and MSL2 proteins involved in the specific recruitment of the dosage compensation complex in Drosophila.
Nucleic Acids Res., 50, 2022
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1S2Q
 | | Crystal structure of MAOB in complex with N-propargyl-1(R)-aminoindan (Rasagiline) | | Descriptor: | (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2004-01-09 | | Release date: | 2004-03-30 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class.
J.Med.Chem., 47, 2004
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4C16
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic antagonist | | Descriptor: | (1R,2R,3S)-3-methylcyclohexane-1,2-diol, (S)-CYCLOHEXYL LACTIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T. | | Deposit date: | 2013-08-09 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
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8HGA
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8HIA
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8H7G
 | | Cryo-EM structure of the human SAGA complex | | Descriptor: | Ataxin-7, STAGA complex 65 subunit gamma, Splicing factor 3B subunit 3, ... | | Authors: | Huang, J, Zhang, Y. | | Deposit date: | 2022-10-20 | | Release date: | 2022-12-14 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structure of human SAGA transcriptional coactivator complex.
Cell Discov, 8, 2022
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1RZ8
 | | CRYSTAL STRUCTURE OF HUMAN ANTI-HIV-1 GP120-REACTIVE ANTIBODY 17B | | Descriptor: | Fab 17b heavy chain, Fab 17b light chain | | Authors: | Huang, C.C, Venturi, M, Majeed, S, Moore, M.J, Phogat, S, Zhang, M.-Y, Dimitrov, D.S, Hendrickson, W.A, Robinson, J, Sodroski, J, Wyatt, R, Choe, H, Farzan, M, Kwong, P.D. | | Deposit date: | 2003-12-24 | | Release date: | 2004-02-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of tyrosine sulfation and VH-gene usage in antibodies that recognize the HIV type 1 coreceptor-binding site on gp120
Proc.Natl.Acad.Sci.USA, 101, 2004
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