2A3C
 
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline | | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase | | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | | Deposit date: | 2005-06-24 | | Release date: | 2005-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
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2Q4R
 | | Ensemble refinement of the protein crystal structure of human phosphomannomutase 2 (PMM2) | | Descriptor: | 1,2-ETHANEDIOL, GLYCINE, Phosphomannomutase 2 | | Authors: | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2007-05-31 | | Release date: | 2007-06-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
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4F2Q
 | | Quisqualate bound to the D655A mutant of the ligand binding domain of GluA3 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 3, ZINC ION | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2012-05-08 | | Release date: | 2012-05-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
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7FUM
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-benzylpiperazin-1-yl)methyl]-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid | | Descriptor: | (5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Galley, G, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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5TEO
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7GAL
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z291279160 | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(trifluoromethyloxy)phenyl]thiourea, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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2XR5
 | | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo dimannoside mimic. | | Descriptor: | CALCIUM ION, CD209 ANTIGEN, CHLORIDE ION, ... | | Authors: | Thepaut, M, Suitkeviciute, I, Sattin, S, Reina, J, Bernardi, A, Fieschi, F. | | Deposit date: | 2010-09-10 | | Release date: | 2011-10-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure of a Glycomimetic Ligand in the Carbohydrate Recognition Domain of C-Type Lectin Dc-Sign. Structural Requirements for Selectivity and Ligand Design.
J.Am.Chem.Soc., 135, 2013
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7GAR
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z820676436 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GAB
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z1255402624 | | Descriptor: | 1,2-ETHANEDIOL, 2-tert-butylbenzene-1,4-diol, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GAM
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z373768900 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GAQ
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z755044716 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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3SDN
 | | Structure of G65I sperm whale myoglobin mutant | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Myoglobin, ... | | Authors: | Lebioda, L, Huang, X. | | Deposit date: | 2011-06-09 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Amphitrite ornata Dehaloperoxidase (DHP): Investigations of Structural Factors That Influence the Mechanism of Halophenol Dehalogenation Using "Peroxidase-like" Myoglobin Mutants and "Myoglobin-like" DHP Mutants.
Biochemistry, 50, 2011
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5TGZ
 | | Crystal Structure of the Human Cannabinoid Receptor CB1 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ... | | Authors: | Hua, T, Vemuri, K, Pu, M, Qu, L, Han, G.W, Wu, Y, Zhao, S, Shui, W, Li, S, Korde, A, Laprairie, R.B, Stahl, E.L, Ho, J.H, Zvonok, N, Zhou, H, Kufareva, I, Wu, B, Zhao, Q, Hanson, M.A, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | | Deposit date: | 2016-09-28 | | Release date: | 2016-11-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Human Cannabinoid Receptor CB1.
Cell, 167, 2016
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7GAD
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z1667545918 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GAE
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z1688504114 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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2XZI
 | | THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS | | Descriptor: | EXTRACELLULAR SIALIDASE/NEURAMINIDASE, PUTATIVE, GLYCEROL, ... | | Authors: | Telford, J.C, Yeung, J.H.F, Kiefel, M.J, Watts, A.G, Hader, S, Chan, J, Bennet, A.J, Moore, M.M, Taylor, G.L. | | Deposit date: | 2010-11-26 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Aspergillus Fumigatus Sialidase is a Kdnase: Structural and Mechanistic Insights.
J.Biol.Chem., 286, 2011
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4OW1
 | | Crystal Structure of Resuscitation Promoting Factor C | | Descriptor: | 1,2-ETHANEDIOL, Resuscitation-promoting factor RpfC | | Authors: | Chauviac, F.X, Quay, D.H.X, Cohen-Gonsaud, M, Keep, N.H. | | Deposit date: | 2014-01-29 | | Release date: | 2014-06-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The RpfC (Rv1884) atomic structure shows high structural conservation within the resuscitation-promoting factor catalytic domain.
Acta Crystallogr.,Sect.F, 70, 2014
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4CJE
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 5-[(2S)-2-[[2-(1H-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-19 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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1J83
 | | STRUCTURE OF FAM17 CARBOHYDRATE BINDING MODULE FROM CLOSTRIDIUM CELLULOVORANS | | Descriptor: | CALCIUM ION, ENDO-1,4-BETA GLUCANASE ENGF | | Authors: | Notenboom, V, Boraston, A.B, Chiu, P, Freelove, A.C.J, Kilburn, D.G, Rose, D.R. | | Deposit date: | 2001-05-20 | | Release date: | 2001-12-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Recognition of cello-oligosaccharides by a family 17 carbohydrate-binding module: an X-ray crystallographic, thermodynamic and mutagenic study.
J.Mol.Biol., 314, 2001
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2PS8
 | | Y295F Trichodiene Synthase: Complex With Mg and Pyrophosphate | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | | Deposit date: | 2007-05-04 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif.
Arch.Biochem.Biophys., 469, 2008
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4CJS
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-23 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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1IUZ
 | | PLASTOCYANIN | | Descriptor: | COPPER (II) ION, PLASTOCYANIN, SULFATE ION | | Authors: | Shibata, N. | | Deposit date: | 1996-10-06 | | Release date: | 1997-08-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Novel insight into the copper-ligand geometry in the crystal structure of Ulva pertusa plastocyanin at 1.6-A resolution. Structural basis for regulation of the copper site by residue 88.
J.Biol.Chem., 274, 1999
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3O8P
 | | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | | Descriptor: | 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, ... | | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | | Deposit date: | 2010-08-03 | | Release date: | 2010-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
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2G39
 | | Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Acetyl-CoA hydrolase | | Authors: | Chang, C, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-02-17 | | Release date: | 2006-04-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa
To be Published
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1UCA
 | | Crystal structure of the Ribonuclease MC1 from bitter gourd seeds complexed with 2'-UMP | | Descriptor: | PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER, Ribonuclease MC | | Authors: | Suzuki, A, Yao, M, Tanaka, I, Numata, T, Kikukawa, S, Yamasaki, N, Kimura, M. | | Deposit date: | 2003-04-10 | | Release date: | 2003-04-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structures of the ribonuclease MC1 from bitter gourd seeds, complexed with 2'-UMP or 3'-UMP, reveal structural basis for uridine specificity
Biochem.Biophys.Res.Commun., 275, 2000
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