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5VFB
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BU of 5vfb by Molmil
1.36 Angstrom Resolution Crystal Structure of Malate Synthase G from Pseudomonas aeruginosa in Complex with Glycolic Acid.
Descriptor: CHLORIDE ION, GLYCOLIC ACID, Malate synthase G, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-04-07
Release date:2017-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:1.36 Angstrom Resolution Crystal Structure of Malate Synthase G from Pseudomonas aeruginosa in Complex with Glycolic Acid.
To Be Published
5YVT
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BU of 5yvt by Molmil
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+) and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Ma, T, Ding, J.
Deposit date:2017-11-27
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into the inhibitory mechanisms of NADH on the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 8, 2018
3MHU
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BU of 3mhu by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Nitroorotic acid
Descriptor: 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Rocha, J.R, Cheleski, J, Montanari, C.A, Nonato, M.C.
Deposit date:2010-04-08
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
8II0
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BU of 8ii0 by Molmil
FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine
Descriptor: 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J.
Deposit date:2023-02-24
Release date:2024-02-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-Flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 63, 2024
1M56
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BU of 1m56 by Molmil
Structure of cytochrome c oxidase from Rhodobactor sphaeroides (Wild Type)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, COPPER (II) ION, ...
Authors:Svensson-Ek, M, Abramson, J, Larsson, G, Tornroth, S, Brezezinski, P, Iwata, S.
Deposit date:2002-07-08
Release date:2002-08-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The X-ray crystal structures of wild-type and EQ(I-286) mutant cytochrome c oxidases from Rhodobacter sphaeroides.
J.Mol.Biol., 321, 2002
4KWG
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BU of 4kwg by Molmil
Crystal Structure Analysis of ALDH2+ALDiB13
Descriptor: 1,2-ETHANEDIOL, 7-bromo-5-methyl-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:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones.
J.Med.Chem., 57, 2014
5JK4
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BU of 5jk4 by Molmil
Phosphate-Binding Protein from Stenotrophomonas maltophilia.
Descriptor: Alkaline phosphatase, PHOSPHATE ION
Authors:Keegan, R, Waterman, D, Hopper, D, Coates, L, Guo, J, Coker, A.R, Erskine, P.T, Wood, S.P, Cooper, J.B.
Deposit date:2016-04-25
Release date:2016-05-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The 1.1 angstrom resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank.
Acta Crystallogr D Struct Biol, 72, 2016
1M57
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BU of 1m57 by Molmil
Structure of cytochrome c oxidase from Rhodobacter sphaeroides (EQ(I-286) mutant))
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, COPPER (II) ION, ...
Authors:Svensson-Ek, M, Abramson, J, Larsson, G, Tornroth, S, Brezezinski, P, Iwata, S.
Deposit date:2002-07-08
Release date:2002-08-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:The X-ray crystal structures of wild-type and EQ(I-286) mutant cytochrome c oxidases from Rhodobacter sphaeroides.
J.Mol.Biol., 321, 2002
6LVR
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BU of 6lvr by Molmil
Crystal structure of the PPR domain of Arabidopsis thaliana protein-only RNase P 1 (PRORP1) in complex with tRNA
Descriptor: Proteinaceous RNase P 1, chloroplastic/mitochondrial, yeast phenylalanine tRNA
Authors:Teramoto, T, Hall, T.M.T.
Deposit date:2020-02-04
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Pentatricopeptide repeats of protein-only RNase P use a distinct mode to recognize conserved bases and structural elements of pre-tRNA.
Nucleic Acids Res., 48, 2020
5CID
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BU of 5cid by Molmil
Complex of yeast cytochrome c peroxidase (W191G) bound to o-toluidine with iso-1 cytochrome c
Descriptor: 2-methylaniline, Cytochrome c iso-1, Cytochrome c peroxidase, ...
Authors:Crane, B.R, Payne, T.M.
Deposit date:2015-07-12
Release date:2016-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.763 Å)
Cite:Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
6TDU
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BU of 6tdu by Molmil
Cryo-EM structure of Euglena gracilis mitochondrial ATP synthase, full dimer, rotational states 1
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Muhleip, A, Amunts, A.
Deposit date:2019-11-10
Release date:2019-11-27
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:Structure of a mitochondrial ATP synthase with bound native cardiolipin.
Elife, 8, 2019
8I5B
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BU of 8i5b by Molmil
Structure of human Nav1.7 in complex with bupivacaine
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, Q.R, Yan, N.
Deposit date:2023-01-24
Release date:2023-06-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
3K8T
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BU of 3k8t by Molmil
Structure of eukaryotic rnr large subunit R1 complexed with designed adp analog compound
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate), GLYCEROL, ...
Authors:Sun, D, Xu, H, Dealwis, C, Lee, R.E.
Deposit date:2009-10-14
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design, Synthesis, and Evaluation of 2'-(2-Hydroxyethyl)-2'-deoxyadenosine and the 5'-Diphosphate Derivative as Ribonucleotide Reductase Inhibitors
Chemmedchem, 4, 2009
6SPA
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BU of 6spa by Molmil
A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 IN C2 SPACE GROUP
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ...
Authors:Shahid, M, Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S.
Deposit date:2019-08-31
Release date:2020-03-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
5ODC
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BU of 5odc by Molmil
Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus at 2.3 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ...
Authors:Wagner, T, Koch, J, Ermler, U, Shima, S.
Deposit date:2017-07-05
Release date:2017-08-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
6AOH
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BU of 6aoh by Molmil
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-(3-(2-methoxypyrimidin-5-yl)phenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-2533)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine, ...
Authors:Thomas, S.B, Li, Y, Chen, Z, Lu, H.
Deposit date:2017-08-16
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published
5I9X
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BU of 5i9x by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with bosutinib (SKI-606)
Descriptor: 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2016-02-21
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.427 Å)
Cite:Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
5CG2
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BU of 5cg2 by Molmil
Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b.
Descriptor: 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jordan, C.A, Vey, J.L.
Deposit date:2015-07-09
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
5U29
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BU of 5u29 by Molmil
Crystal structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with Ac-AMS
Descriptor: 1,2-ETHANEDIOL, 5'-O-(acetylsulfamoyl)adenosine, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Edwards, T.E, Potts, K.T, Taylor, B.M.
Deposit date:2016-11-30
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with Ac-AMS
To Be Published
6FXJ
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BU of 6fxj by Molmil
Structure of coproheme decarboxylase from Listeria monocytogenes in complex with iron coproporphyrin III
Descriptor: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, CHLORIDE ION, N-PROPANOL, ...
Authors:Hofbauer, S, Pfanzagl, V, Mlynek, G.
Deposit date:2018-03-09
Release date:2019-07-10
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Redox Cofactor Rotates during Its Stepwise Decarboxylation: Molecular Mechanism of Conversion of Coproheme to Hemeb.
Acs Catalysis, 9, 2019
6MTU
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BU of 6mtu by Molmil
Crystal structure of human Scribble PDZ1:pMCC complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Colorectal mutant cancer protein, ...
Authors:Caria, S, Stewart, B.Z, Humbert, P.O, Kvansakul, M.
Deposit date:2018-10-22
Release date:2019-08-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Structural analysis of phosphorylation-associated interactions of human MCC with Scribble PDZ domains.
Febs J., 286, 2019
6MUQ
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BU of 6muq by Molmil
1.67 Angstrom Resolution Crystal Structure of Murein-DD-endopeptidase from Yersinia enterocolitica.
Descriptor: ACETATE ION, Murein-DD-endopeptidase, SULFATE ION
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-23
Release date:2018-10-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:1.67 Angstrom Resolution Crystal Structure of Murein-DD-endopeptidase from Yersinia enterocolitica.
To Be Published
7Y00
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BU of 7y00 by Molmil
Cryo-EM structure of the nucleosome containing 169 base-pair DNA with a p53 target sequence
Descriptor: DNA (169-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H.
Deposit date:2022-06-03
Release date:2022-10-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structural basis for p53 binding to its nucleosomal target DNA sequence.
Pnas Nexus, 1, 2022
7XZY
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BU of 7xzy by Molmil
Cryo-EM structure of the nucleosome containing 193 base-pair DNA with a p53 target sequence
Descriptor: DNA (193-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H.
Deposit date:2022-06-03
Release date:2022-10-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural basis for p53 binding to its nucleosomal target DNA sequence.
Pnas Nexus, 1, 2022
7XZZ
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BU of 7xzz by Molmil
Cryo-EM structure of the nucleosome in complex with p53
Descriptor: Cellular tumor antigen p53, DNA (169-MER), Histone H2A type 1-B/E, ...
Authors:Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H.
Deposit date:2022-06-03
Release date:2022-10-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis for p53 binding to its nucleosomal target DNA sequence.
Pnas Nexus, 1, 2022

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