8ER4
 
 | | Co-crystal structure of Chaetomium glucosidase with compound 23 | | Descriptor: | (2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2022-10-11 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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4FI4
 | | Crystal structure of mannonate dehydratase PRK15072 (TARGET EFI-502214) from Caulobacter sp. K31 | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-06-07 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Enolase Prk15072 (Target Efi-502214) from Caulobacter Sp. K31
To be Published
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3UQG
 | | c-SRC kinase domain in complex with bumpless BKI analog UW1243 | | Descriptor: | 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Merritt, E.A, Larson, E.T. | | Deposit date: | 2011-11-20 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
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8EPO
 | | Co-crystal structure of Chaetomium glucosidase with compound 18 | | Descriptor: | (3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2022-10-06 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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4FJM
 | | RB69 DNA polymerase ternary complex with dCTP/dA | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-06-11 | | Release date: | 2012-12-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
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8EUD
 | | Co-crystal structure of Chaetomium glucosidase with compound 22 | | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-methyl-5-(pyrimidin-2-yl)-1H-benzimidazol-1-yl]hexyl}piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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3UMJ
 | | Crystal Structure of D311E Lipase | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ruslan, R, Rahman, R.N.Z.R.A, Leow, T.C, Ali, M.S.M, Basri, M, Salleh, A.B. | | Deposit date: | 2011-11-13 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Improvement of Thermal Stability via Outer-Loop Ion Pair Interaction of Mutated T1 Lipase from Geobacillus zalihae Strain T1
Int J Mol Sci, 13, 2012
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4FK7
 | | Crystal structure of Certhrax catalytic domain | | Descriptor: | CHLORIDE ION, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Putative ADP-ribosyltransferase Certhrax, ... | | Authors: | Hong, B.S, Dimov, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-12 | | Release date: | 2012-09-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus.
J.Biol.Chem., 287, 2012
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3UQX
 | | Crystal structure of BACE1 with its inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, ... | | Authors: | Chen, T.T, Chen, W.Y, Xu, Y.C. | | Deposit date: | 2011-11-21 | | Release date: | 2012-11-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations
to be published
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4FKA
 | | High resolution structure of the manganese derivative of insulin | | Descriptor: | Insulin A chain, Insulin B chain, MANGANESE (II) ION, ... | | Authors: | Prugovecki, B, Pulic, I, Toth, M, Matkovic-Calogovic, D. | | Deposit date: | 2012-06-13 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | High Resolution Structure of the Manganese Derivative of Insulin
Croat.Chem.Acta, 85, 2012
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4FJP
 | | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Naproxen at 1.68 A Resolution | | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-06-12 | | Release date: | 2012-06-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Naproxen at 1.68 A Resolution
To be Published
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6X5Y
 | | IDO1 in complex with compound 4 | | Descriptor: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lesburg, C.A, Lammens, A. | | Deposit date: | 2020-05-27 | | Release date: | 2021-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors
To Be Published
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4FKE
 | | Crystal structure of porcine aminopeptidase-N | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, L, Lin, Y.L, Peng, G, Li, F. | | Deposit date: | 2012-06-13 | | Release date: | 2012-10-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for multifunctional roles of mammalian aminopeptidase N.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UNF
 | | Mouse 20S immunoproteasome in complex with PR-957 | | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, CHLORIDE ION, IODIDE ION, ... | | Authors: | Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. | | Deposit date: | 2011-11-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
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1IW9
 | | Crystal Structure of the M Intermediate of Bacteriorhodopsin | | Descriptor: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, RETINAL, ... | | Authors: | Takeda, K, Matsui, Y, Kamiya, N, Adachi, S, Okumura, H, Kouyama, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-04-25 | | Release date: | 2003-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the M intermediate of bacteriorhodopsin: allosteric structural changes mediated by sliding movement of a transmembrane helix
J.Mol.Biol., 341, 2004
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3UPZ
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4FKC
 | | Recombinant prolidase from Thermococcus sibiricus | | Descriptor: | CADMIUM ION, Xaa-Pro aminopeptidase | | Authors: | Trofimov, A.A, Slutskaya, E.S, Polyakov, K.M, Dorovatovskii, P.V, Gumerov, V.M, Popov, V.O. | | Deposit date: | 2012-06-13 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Influence of intermolecular contacts on the structure of recombinant prolidase from Thermococcus sibiricus.
Acta Crystallogr.,Sect.F, 68, 2012
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4FMM
 | | Dimeric Sec14 family homolog 3 from Saccharomyces cerevisiae presents some novel features of structure that lead to a surprising "dimer-monomer" state change induced by substrate binding | | Descriptor: | GLYCEROL, MAGNESIUM ION, Phosphatidylinositol transfer protein PDR16 | | Authors: | Yuan, Y, Zhao, W, Wang, X, Gao, Y, Niu, L, Teng, M. | | Deposit date: | 2012-06-18 | | Release date: | 2013-02-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Dimeric Sfh3 has structural changes in its binding pocket that are associated with a dimer-monomer state transformation induced by substrate binding.
Acta Crystallogr.,Sect.D, 69, 2013
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3US8
 | | Crystal Structure of an isocitrate dehydrogenase from Sinorhizobium meliloti 1021 | | Descriptor: | Isocitrate dehydrogenase [NADP], SULFATE ION | | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-11-23 | | Release date: | 2011-12-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure of an isocitrate dehydrogenase from Sinorhizobium meliloti 1021
To be Published
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3UQA
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4WIV
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Xu, X, Blacklow, S. | | Deposit date: | 2014-09-26 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Biased multicomponent reactions to develop novel bromodomain inhibitors.
J.Med.Chem., 57, 2014
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4FKO
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3USS
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4FMP
 | | Crystal structure of thermostable, organic-solvent tolerant lipase from Geobacillus sp. strain ARM | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Nisbar, N.D, Rahman, R.N.Z.R.A, Ali, M.S.M, Leow, A.T.C. | | Deposit date: | 2012-06-18 | | Release date: | 2013-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallization of novel ARM lipase and elucidation of its space-grown crystal structure
Thesis, 2013
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3UQF
 | | c-SRC kinase domain in complex with BKI RM-1-89 | | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Merritt, E.A, Larson, E.T. | | Deposit date: | 2011-11-20 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
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