7CON
 
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6E6K
 | | Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-CBD) | | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinoid-binding protein 7 | | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-25 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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6KLF
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1TRI
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4MZB
 | | Crystal structure of Grx1 from Plasmodium falciparum | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin | | Authors: | Yogavel, M, Sharma, A. | | Deposit date: | 2013-09-30 | | Release date: | 2013-10-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.038 Å) | | Cite: | Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins.
Acta Crystallogr.,Sect.D, 70, 2014
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3GEX
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1CAA
 | | X-RAY CRYSTAL STRUCTURES OF THE OXIDIZED AND REDUCED FORMS OF THE RUBREDOXIN FROM THE MARINE HYPERTHERMOPHILIC ARCHAEBACTERIUM PYROCOCCUS FURIOSUS | | Descriptor: | FE (III) ION, RUBREDOXIN | | Authors: | Day, M.W, Hsu, B.T, Joshua-Tor, L, Park, J.B, Zhou, Z.H, Adams, M.W.W, Rees, D.C. | | Deposit date: | 1992-05-18 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structures of the oxidized and reduced forms of the rubredoxin from the marine hyperthermophilic archaebacterium Pyrococcus furiosus.
Protein Sci., 1, 1992
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6F8N
 | | Key residues affecting transglycosylation activity in family 18 chitinases - Insights into donor and acceptor subsites | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Madhuprakash, J, Dalhus, B, Swaroopa Rani, T, Podile, A.R, Eijsink, V.G.H, Sorlie, M. | | Deposit date: | 2017-12-13 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases: Insights into Donor and Acceptor Subsites.
Biochemistry, 57, 2018
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1LDG
 | | PLASMODIUM FALCIPARUM L-LACTATE DEHYDROGENASE COMPLEXED WITH NADH AND OXAMATE | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE, OXAMIC ACID | | Authors: | Dunn, C, Banfield, M, Barker, J, Higham, C, Moreton, K, Turgut-Balik, D, Brady, L, Holbrook, J.J. | | Deposit date: | 1996-09-10 | | Release date: | 1997-09-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The structure of lactate dehydrogenase from Plasmodium falciparum reveals a new target for anti-malarial design.
Nat.Struct.Biol., 3, 1996
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6EZ2
 | | Human butyrylcholinesterase carbamylated. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P. | | Deposit date: | 2017-11-14 | | Release date: | 2018-12-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model.
Commun Chem, 2019
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3I19
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1B2R
 | | FERREDOXIN-NADP+ REDUCTASE (MUTATION: E 301 A) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (FERREDOXIN-NADP+ REDUCTASE), SULFATE ION | | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | Deposit date: | 1998-11-27 | | Release date: | 1999-12-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of the catalytic role of Glu301 in Anabaena PCC 7119 ferredoxin-NADP+ reductase revealed by x-ray crystallography.
Proteins, 38, 2000
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6L7L
 | | Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide | | Descriptor: | 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Miyahara, S, Chong, K.T, Suzuki, T. | | Deposit date: | 2019-11-01 | | Release date: | 2020-11-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.171 Å) | | Cite: | TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
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9FZL
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4CV2
 | | Crystal structure of E. coli FabI in complex with NADH and CG400549 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | Authors: | Tareilus, M, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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4KWF
 | | Crystal Structure Analysis of ALDH2+ALDiB33 | | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-1H-indole-2,3-dione, Aldehyde dehydrogenase, ... | | Authors: | Hurley, T.D, Kimble-Hill, A.C. | | Deposit date: | 2013-05-24 | | Release date: | 2014-04-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones.
J.Med.Chem., 57, 2014
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5TEI
 | | Structure of human ALDH1A1 with inhibitor CM039 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | | Authors: | Morgan, C.A, Hurley, T.D. | | Deposit date: | 2016-09-21 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of human ALDH1A1 with inhibitor CM039
To Be Published
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1FLV
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6BAW
 | | Structure of GRP94 with a selective resorcinylic inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, Endoplasmin, PHOSPHATE ION, ... | | Authors: | Que, N.L.S, Gewirth, D.T. | | Deposit date: | 2017-10-16 | | Release date: | 2018-04-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
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3SZU
 | | IspH:HMBPP complex structure of E126Q mutant | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
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4EQ9
 | | 1.4 Angstrom Crystal Structure of ABC Transporter Glutathione-Binding Protein GshT from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Glutathione | | Descriptor: | ABC transporter substrate-binding protein-amino acid transport, GLUTATHIONE | | Authors: | Minasov, G, Wawrzak, Z, Stogios, P.J, Light, S.H, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-18 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 1.4 Angstrom Crystal Structure of Putative ABC Transporter Substrate-Binding Protein from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Glutathione.
TO BE PUBLISHED
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1BVY
 | | COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3) | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, PROTEIN (CYTOCHROME P450 BM-3), ... | | Authors: | Sevrioukova, I.F, Li, H, Zhang, H, Peterson, J.A, Poulos, T.L. | | Deposit date: | 1998-09-21 | | Release date: | 1999-02-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure of a cytochrome P450-redox partner electron-transfer complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
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8B6F
 | | Cryo-EM structure of NADH:ubiquinone oxidoreductase (complex-I) from respiratory supercomplex of Tetrahymena thermophila | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... | | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | | Deposit date: | 2022-09-27 | | Release date: | 2023-03-29 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex.
Nature, 615, 2023
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1O01
 | | Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(H) and Mg2+ | | Descriptor: | (2E)-BUT-2-ENAL, 1,2-ETHANEDIOL, Aldehyde dehydrogenase, ... | | Authors: | Perez-Miller, S.J, Hurley, T.D. | | Deposit date: | 2003-02-20 | | Release date: | 2003-06-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Coenzyme isomerization is integral to catalysis in aldehyde dehydrogenase
Biochemistry, 42, 2003
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4M8I
 | | 1.43 Angstrom resolution crystal structure of cell division protein FtsZ (ftsZ) from Staphylococcus epidermidis RP62A in complex with GDP | | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION | | Authors: | Halavaty, A.S, Minasov, G, Winsor, J, Dubrovska, I, Filippova, E.V, Olsen, D.B, Therien, A, Shuvalova, L, Young, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-13 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | 1.43 Angstrom resolution crystal structure of cell division protein FtsZ (ftsZ) from Staphylococcus epidermidis RP62A in complex with GDP
To be Published
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