4MOG
 
 | | Pyranose 2-oxidase V546C mutant with 3-fluorinated glucose | | Descriptor: | 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase | | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | | Deposit date: | 2013-09-12 | | Release date: | 2014-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
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4MQ2
 | | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | | Deposit date: | 2013-09-15 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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6MCK
 | | p97 D1D2 with CB5083 bound | | Descriptor: | 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, Transitional endoplasmic reticulum ATPase | | Authors: | Xia, D, Tang, W.K. | | Deposit date: | 2018-08-31 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.77 Å) | | Cite: | Structural Basis of p97 Inhibition by the Site-Selective Anticancer Compound CB-5083.
Mol. Pharmacol., 95, 2019
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1X92
 | | CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE ISOMERASE IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE | | Descriptor: | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, PHOSPHOHEPTOSE ISOMERASE | | Authors: | Walker, J.R, Evdokimova, E, Kudritska, M, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-08-19 | | Release date: | 2004-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of sedoheptulose-7-phosphate isomerase, a critical enzyme for lipopolysaccharide biosynthesis and a target for antibiotic adjuvants.
J.Biol.Chem., 283, 2008
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1S19
 | | Crystal structure of VDR ligand binding domain complexed to calcipotriol. | | Descriptor: | CALCIPOTRIOL, Vitamin D3 receptor | | Authors: | Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Moras, D. | | Deposit date: | 2004-01-06 | | Release date: | 2004-04-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modification.
J.Med.Chem., 47, 2004
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4K0X
 | | X-ray Crystal Structure of OXA-23 from Acinetobacter baumannii | | Descriptor: | BICARBONATE ION, Beta-lactamase | | Authors: | Klinger, N.V, Ramey, M.E, Leonard, D.A, Powers, R.A. | | Deposit date: | 2013-04-04 | | Release date: | 2013-08-07 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam.
Antimicrob.Agents Chemother., 57, 2013
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4NAO
 | | Crystal structure of EasH | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Janke, R, Havemann, J, Vogel, D, Keller, U, Loll, B. | | Deposit date: | 2013-10-22 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | Cyclolization of d-lysergic Acid alkaloid peptides.
Chem.Biol., 21, 2014
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6MP8
 | | X-ray crystal structure of VioC bound to Fe(II), D-arginine, and 2-oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent L-arginine hydroxylase, D-ARGININE, ... | | Authors: | Dunham, N.P, Boal, A.K. | | Deposit date: | 2018-10-05 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | alpha-Amine Desaturation of d-Arginine by the Iron(II)- and 2-(Oxo)glutarate-Dependent l-Arginine 3-Hydroxylase, VioC.
Biochemistry, 57, 2018
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1IV1
 | | Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | | Authors: | Kishida, H, Wada, T, Unzai, S, Kuzuyama, T, Terada, T, Sirouzu, M, Yokoyama, S, Tame, J.R.H, Park, S.-Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-03-11 | | Release date: | 2002-09-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis.
Acta Crystallogr.,Sect.D, 59, 2003
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2DU0
 | | Crystal structure of basic winged bean lectin in complex with Alpha-D-galactose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Basic agglutinin, CALCIUM ION, ... | | Authors: | Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 2006-07-19 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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1S1O
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1JCT
 | | Glucarate Dehydratase, N341L mutant Orthorhombic Form | | Descriptor: | D-GLUCARATE, Glucarate Dehydratase, ISOPROPYL ALCOHOL, ... | | Authors: | Gulick, A.M, Hubbard, B.K, Gerlt, J.A, Rayment, I. | | Deposit date: | 2001-06-11 | | Release date: | 2001-09-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: identification of the general acid catalyst in the active site of D-glucarate dehydratase from Escherichia coli.
Biochemistry, 40, 2001
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4G31
 | | Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution | | Descriptor: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL | | Authors: | Gampe, R.T, Axten, J.M. | | Deposit date: | 2012-07-13 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
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1AE8
 | | HUMAN ALPHA-THROMBIN INHIBITION BY EOC-D-PHE-PRO-AZALYS-ONP | | Descriptor: | 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ... | | Authors: | De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P. | | Deposit date: | 1997-03-06 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
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1NFG
 | | Structure of D-hydantoinase | | Descriptor: | D-hydantoinase, ZINC ION | | Authors: | Xu, Z, Yang, Y, Jiang, W, Arnold, E, Ding, J. | | Deposit date: | 2002-12-14 | | Release date: | 2003-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of D-Hydantoinase from Burkholderia pickettii at a Resolution of 2.7 Angstroms: Insights into the Molecular Basis of Enzyme Thermostability.
J.Bacteriol., 185, 2003
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2OVW
 | | ENDOGLUCANASE I COMPLEXED WITH CELLOBIOSE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Sulzenbacher, G, Davies, G.J, Schulein, M. | | Deposit date: | 1997-04-04 | | Release date: | 1998-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the endoglucanase I from Fusarium oxysporum: native, cellobiose, and 3,4-epoxybutyl beta-D-cellobioside-inhibited forms, at 2.3 A resolution.
Biochemistry, 36, 1997
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2DTY
 | | Crystal structure of basic winged bean lectin complexed with N-acetyl-D-galactosamine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Basic agglutinin, CALCIUM ION, ... | | Authors: | Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 2006-07-19 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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3QHD
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1SO0
 | | Crystal structure of human galactose mutarotase complexed with galactose | | Descriptor: | aldose 1-epimerase, beta-D-galactopyranose | | Authors: | Thoden, J.B, Timson, D.J, Reece, R.J, Holden, H.M. | | Deposit date: | 2004-03-12 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular structure of human galactose mutarotase
J.Biol.Chem., 279, 2004
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2YRS
 | | Human hemoglobin D Los Angeles: crystal structure | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Poy, C.D, Moreno, F, Bonini-Domingos, C.R, Filgueira de Azevedo Jr, W, Bonilla-Rodriguez, G.O. | | Deposit date: | 2007-04-03 | | Release date: | 2008-03-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human Hemoglobin D Los Angeles: crystal structure
to be published
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4LX5
 | | X-ray crystal structure of the M6" riboswitch aptamer bound to pyrimido[4,5-d]pyrimidine-2,4-diamine (PPDA) | | Descriptor: | MAGNESIUM ION, Mutated adenine riboswitch aptamer, pyrimido[4,5-d]pyrimidine-2,4-diamine | | Authors: | Dunstan, M.S, Leys, D. | | Deposit date: | 2013-07-29 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species.
J.Am.Chem.Soc., 136, 2014
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3EHB
 | | A D-Pathway Mutation Decouples the Paracoccus Denitrificans Cytochrome c Oxidase by Altering the side chain orientation of a distant, conserved Glutamate | | Descriptor: | CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase subunit 1-beta, ... | | Authors: | Koepke, J, Mueller, H, Peng, G. | | Deposit date: | 2008-09-12 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A d-pathway mutation decouples the paracoccusdenitrificans cytochrome C oxidase by altering the side-chain orientation of a distant conserved glutamate
J.Mol.Biol., 384, 2008
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3EKU
 | | Crystal Structure of Monomeric Actin bound to Cytochalasin D | | Descriptor: | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate, ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, ... | | Authors: | Nair, U.B, Joel, P.B, Wan, Q, Lowey, S, Rould, M.A, Trybus, K.M. | | Deposit date: | 2008-09-19 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of monomeric actin bound to cytochalasin D.
J.Mol.Biol., 384, 2008
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1PE1
 | | Aquifex aeolicus KDO8PS in complex with cadmium and 2-PGA | | Descriptor: | 2-PHOSPHOGLYCERIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ... | | Authors: | Wang, J, Xu, X, Grison, C, Petek, S, Coutrot, P, Birck, M.R, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2003-05-20 | | Release date: | 2004-02-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase
DRUG DES.DISCOVERY, 18, 2003
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1TAN
 | | TANDEM DNA, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | DNA (5'-D(P*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*CP*A)-3'), DNA (5'-D(P*TP*GP*GP*AP*GP*CP*TP*G)-3') | | Authors: | Denisov, A, Sandstrom, A, Maltseva, T, Pyshnyi, D, Ivanova, E, Zarytova, V, Chattopadhyaya, J. | | Deposit date: | 1997-06-17 | | Release date: | 1997-09-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The NMR structure of estrone (Es)-tethered tandem DNA duplex: [d(5'pCAGCp3')-Es] + [Es-d(5'pTCCA3')]: d(5'pTGGAGCTG3').
J.Biomol.Struct.Dyn., 15, 1997
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