7EWK
 
 | | Barley photosystem I-LHCI-Lhca6 supercomplex | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | | Deposit date: | 2021-05-25 | | Release date: | 2022-01-12 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
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7ERE
 | | Crystal structure of human Biliverdin IX-beta reductase B with Pyrantel Pamoate (PPA) | | Descriptor: | 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | | Deposit date: | 2021-05-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
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3RYK
 | | 1.63 Angstrom resolution crystal structure of dTDP-4-dehydrorhamnose 3,5-epimerase (rfbC) from Bacillus anthracis str. Ames with TDP and PPi bound | | Descriptor: | PYROPHOSPHATE 2-, THYMIDINE-5'-DIPHOSPHATE, dTDP-4-dehydrorhamnose 3,5-epimerase | | Authors: | Halavaty, A.S, Kuhn, M, Minasov, G, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-05-11 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Structure of the Bacillus anthracis dTDP-L-rhamnose-biosynthetic enzyme dTDP-4-dehydrorhamnose 3,5-epimerase (RfbC).
Acta Crystallogr F Struct Biol Commun, 73, 2017
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6ASP
 | | Structure of Grp94 with methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, a Grp94-selective inhibitor and promising therapeutic lead for treating myocilin-associated glaucoma | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endoplasmin, GLYCEROL, ... | | Authors: | Huard, D.J.E, Lieberman, R.L. | | Deposit date: | 2017-08-25 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.696 Å) | | Cite: | Trifunctional High-Throughput Screen Identifies Promising Scaffold To Inhibit Grp94 and Treat Myocilin-Associated Glaucoma.
ACS Chem. Biol., 13, 2018
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2O8V
 | | PAPS reductase in a covalent complex with thioredoxin C35A | | Descriptor: | Phosphoadenosine phosphosulfate reductase, Thioredoxin 1 | | Authors: | Chartron, J, Shiau, C, Stout, C.D, Carroll, K.S. | | Deposit date: | 2006-12-12 | | Release date: | 2007-03-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 3'-Phosphoadenosine-5'-phosphosulfate Reductase in Complex with Thioredoxin: A Structural Snapshot in the Catalytic Cycle.
Biochemistry, 46, 2007
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1JB9
 | | Crystal Structure of The Ferredoxin:NADP+ Reductase From Maize Root AT 1.7 Angstroms | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, ferredoxin-NADP reductase | | Authors: | Faber, H.R, Karplus, P.A, Aliverti, A, Ferioli, C, Spinola, M. | | Deposit date: | 2001-06-03 | | Release date: | 2001-07-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and crystallographic characterization of ferredoxin-NADP(+) reductase from nonphotosynthetic tissues.
Biochemistry, 40, 2001
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1EAC
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4YVX
 | | Crystal structure of AKR1C3 complexed with glimepiride | | Descriptor: | 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | | Deposit date: | 2015-03-20 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
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5CGI
 | | Yeast 20S proteasome beta5-G48C mutant in complex with ONX 0914 | | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Dubiella, C, Groll, M. | | Deposit date: | 2015-07-09 | | Release date: | 2015-11-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Selective Inhibition of the Immunoproteasome by Structure-Based Targeting of a Non-catalytic Cysteine.
Angew.Chem.Int.Ed.Engl., 54, 2015
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3JQD
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX7) | | Descriptor: | 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tulloch, L.B, Hunter, W.N. | | Deposit date: | 2009-09-06 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
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5OY6
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with cyclical inhibitor OD36. | | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type-1, cyclical inhibitor OD36 | | Authors: | Williams, E.P, Pinkas, D.M, Krojer, T, Kupinska, K, Mahajan, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2017-09-07 | | Release date: | 2017-09-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Establishment and characterization of endothelial colony forming cells as a surrogate model for Fibrodysplasia Ossificans Progressiva
To Be Published
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4KYA
 | | Crystal structure of non-classical TS inhibitor 3 in complex with Toxoplasma gondii TS-DHFR | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Sharma, H, Anderson, K.S. | | Deposit date: | 2013-05-28 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.263 Å) | | Cite: | Discovery of potent and selective inhibitors of Toxoplasma gondii thymidylate synthase for opportunistic infections.
ACS Med Chem Lett, 4, 2013
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1P0F
 | | Crystal Structure of the Binary Complex: NADP(H)-Dependent Vertebrate Alcohol Dehydrogenase (ADH8) with the cofactor NADP | | Descriptor: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent ALCOHOL DEHYDROGENASE, ... | | Authors: | Rosell, A, Valencia, E, Pares, X, Fita, I, Farres, J, Ochoa, W.F. | | Deposit date: | 2003-04-10 | | Release date: | 2003-04-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the vertebrate NADP(H)-dependent alcohol dehydrogenase (ADH8)
J.Mol.Biol., 330, 2003
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5OY1
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5GIC
 | | Crystal structure of VDR in complex with DLAM-2P | | Descriptor: | (3~{R},5~{S})-5-[(2~{R})-2-[(1~{R},3~{a}~{S},4~{Z},7~{a}~{R})-7~{a}-methyl-4-[(2~{E})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(2-phenylethyl)pyrrolidin-2-one, SRC1, Vitamin D3 receptor | | Authors: | Shimizu, T, Asano, L. | | Deposit date: | 2016-06-23 | | Release date: | 2016-12-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.352 Å) | | Cite: | Regulation of the vitamin D receptor by vitamin D lactam derivatives.
Febs Lett., 590, 2016
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3RI3
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2ZHH
 | | Crystal structure of SoxR | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FE2/S2 (INORGANIC) CLUSTER, Redox-sensitive transcriptional activator soxR | | Authors: | Watanabe, S, Kita, A, Kobayashi, K, Miki, K. | | Deposit date: | 2008-02-05 | | Release date: | 2008-03-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the [2Fe-2S] oxidative-stress sensor SoxR bound to DNA
Proc.Natl.Acad.Sci.Usa, 105, 2008
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5YNH
 | | Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 10 mM gamma-cyclodextrin | | Descriptor: | CALCIUM ION, Cyclooctakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ... | | Authors: | Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B. | | Deposit date: | 2017-10-24 | | Release date: | 2018-10-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
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6M61
 | | Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) with inhibitor heptelidic acid | | Descriptor: | (5aS,6R,9S,9aS)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yan, Y, Zang, X, Cooper, S.J, Lin, H, Zhou, J, Tang, Y. | | Deposit date: | 2020-03-12 | | Release date: | 2020-12-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.82449543 Å) | | Cite: | Biosynthesis of the fungal glyceraldehyde-3-phosphate dehydrogenase inhibitor heptelidic acid and mechanism of self-resistance
Chem Sci, 11, 2020
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3HNV
 | | CS-35 Fab Complex with Oligoarabinofuranosyl Tetrasaccharide (branch part of Hexasaccharide) | | Descriptor: | CS-35 Fab Heavy Chain, CS-35 Fab Light Chain, beta-D-arabinofuranose-(1-2)-alpha-D-arabinofuranose-(1-3)-alpha-D-arabinofuranose-(1-5)-methyl alpha-D-arabinofuranoside | | Authors: | Murase, T, Zheng, R.B, Joe, M, Bai, Y, Marcus, S.L, Lowary, T.L, Ng, K.K.S. | | Deposit date: | 2009-06-01 | | Release date: | 2009-07-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into antibody recognition of mycobacterial polysaccharides.
J.Mol.Biol., 392, 2009
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1W8D
 | | Binary structure of human DECR. | | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, GLYCEROL, ... | | Authors: | Alphey, M.S, Byres, E, Hunter, W.N. | | Deposit date: | 2004-09-20 | | Release date: | 2004-10-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
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6G9I
 | | Crystal structure of Ebolavirus glycoprotein in complex with clomipramine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, Envelope glycoprotein,Envelope glycoprotein, ... | | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | | Deposit date: | 2018-04-10 | | Release date: | 2018-05-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
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3UB2
 | | TIR domain of Mal/TIRAP | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Toll/interleukin-1 receptor domain-containing adapter protein | | Authors: | Shen, Y, Lin, Z. | | Deposit date: | 2011-10-23 | | Release date: | 2012-05-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into TIR Domain Specificity of the Bridging Adaptor Mal in TLR4 Signaling
Plos One, 7, 2012
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3WNQ
 | | Crystal structure of (R)-carbonyl reductase H49A mutant from Candida Parapsilosis in complex with 2-hydroxyacetophenone | | Descriptor: | (R)-specific carbonyl reductase, 2-hydroxy-1-phenylethanone, ZINC ION | | Authors: | Wang, S.S, Nie, Y, Xu, Y, Zhang, R.Z, Huang, C.H, Chan, H.C, Guo, R.T, Ko, T.P, Xiao, R. | | Deposit date: | 2013-12-15 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Unconserved substrate-binding sites direct the stereoselectivity of medium-chain alcohol dehydrogenase
Chem.Commun.(Camb.), 50, 2014
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2WPC
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357) | | Descriptor: | (4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-05 | | Release date: | 2010-10-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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