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4HE0
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Crystal structure of human muscle fructose-1,6-bisphosphatase
Descriptor: CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, MAGNESIUM ION, ...
Authors:Shi, R, Zhu, D.W, Lin, S.X.
Deposit date:2012-10-03
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013
2H28
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BU of 2h28 by Molmil
Crystal structure of YeeU from E. coli. Northeast Structural Genomics target ER304
Descriptor: CHLORIDE ION, GLYCEROL, Hypothetical protein yeeU, ...
Authors:Arbing, M, Su, M, Benach, J, Karpowich, N.K, Jiang, M, Xiao, R, Cunningham, K, Ma, L.-C, Chen, C.X, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-05-18
Release date:2006-07-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
4P6J
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BU of 4p6j by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Octyl Glucoside
Descriptor: Computationally Designed Transporter of Zn(II) and Proton, SULFATE ION
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4P6K
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BU of 4p6k by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Lipidic Cubic Phase
Descriptor: Computationally Designed Transporter of Zn(II) and Proton
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4HE1
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BU of 4he1 by Molmil
Crystal structure of human muscle fructose-1,6-bisphosphatase Q32R mutant complex with fructose-6-phosphate and phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, ...
Authors:Shi, R, Zhu, D.W, Lin, S.X.
Deposit date:2012-10-03
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013
4M0F
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BU of 4m0f by Molmil
Structure of human acetylcholinesterase in complex with territrem B
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L.
Deposit date:2013-08-01
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
4MGH
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BU of 4mgh by Molmil
Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight from Xenon Trapping and Statistical Coupling Analysis
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R.
Deposit date:2013-08-28
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Plos One, 8, 2013
1MVQ
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BU of 1mvq by Molmil
Cratylia mollis lectin (isoform 1) in complex with methyl-alpha-D-mannose
Descriptor: CALCIUM ION, MANGANESE (II) ION, lectin, ...
Authors:de Souza, G.A, Oliveira, P.S, Trapani, S, Correia, M.T, Oliva, G, Coelho, L.C, Greene, L.J.
Deposit date:2002-09-26
Release date:2003-10-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Amino acid sequence and tertiary structure of Cratylia mollis seed lectin
Glycobiology, 13, 2003
4MXW
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BU of 4mxw by Molmil
Structure of heterotrimeric lymphotoxin LTa1b2 bound to lymphotoxin beta receptor LTbR and anti-LTa Fab
Descriptor: Lymphotoxin-alpha, Lymphotoxin-beta, Tumor necrosis factor receptor superfamily member 3, ...
Authors:Sudhamsu, J, Yin, J.P, Hymowitz, S.G.
Deposit date:2013-09-26
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction.
Proc.Natl.Acad.Sci.USA, 110, 2013
1AOE
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BU of 1aoe by Molmil
CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE (GW345)
Descriptor: 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Whitlow, M, Howard, A.J, Stewart, D.
Deposit date:1997-07-02
Release date:1998-01-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic studies of Candida albicans dihydrofolate reductase. High resolution structures of the holoenzyme and an inhibited ternary complex.
J.Biol.Chem., 272, 1997
4JLW
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BU of 4jlw by Molmil
Crystal structure of formaldehyde dehydrogenase from Pseudomonas aeruginosa
Descriptor: Glutathione-independent formaldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Chen, S, Liao, Y.P, Wang, D.L, Wang, S, Ding, J.F, Wang, Y.M, Cai, L.J, Ran, X.Y, Zhu, H.X.
Deposit date:2013-03-13
Release date:2013-10-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of formaldehyde dehydrogenase from Pseudomonas aeruginosa: the binary complex with the cofactor NAD+.
Acta Crystallogr.,Sect.F, 69, 2013
1TQ0
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BU of 1tq0 by Molmil
Crystal structure of the potent anticoagulant thrombin mutant W215A/E217A in free form
Descriptor: Prothrombin
Authors:Pineda, A.O, Chen, Z.-W, Caccia, S, Savvides, S.N, Waksman, G, Mathews, F.S, Di Cera, E.
Deposit date:2004-06-16
Release date:2004-08-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The anticoagulant thrombin mutant W215A/E217A has a collapsed primary specificity pocket
J.Biol.Chem., 279, 2004
4O44
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BU of 4o44 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor
Descriptor: 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
Authors:Mislak, A.C, Frey, K.M, Anderson, K.S.
Deposit date:2013-12-18
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014
4QXM
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BU of 4qxm by Molmil
Crystal structure of the InhA:GSK_SB713 complex
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Gulten, G, Sacchettini, J.C.
Deposit date:2014-07-21
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity.
Chemmedchem, 11, 2016
1P7T
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BU of 1p7t by Molmil
Structure of Escherichia coli malate synthase G:pyruvate:acetyl-Coenzyme A abortive ternary complex at 1.95 angstrom resolution
Descriptor: ACETYL COENZYME *A, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Anstrom, D.M, Kallio, K, Remington, S.J.
Deposit date:2003-05-05
Release date:2003-09-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the Escherichia Coli Malate Synthase G:pyruvate:acetyl-coenzyme A Abortive Ternary Complex at 1.95 Angstrom Resolution
Protein Sci., 12, 2003
4RDP
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BU of 4rdp by Molmil
Crystal structure of Cmr4
Descriptor: CRISPR system Cmr subunit Cmr4
Authors:Shao, Y, Tang, L, Li, H.
Deposit date:2014-09-19
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Essential Structural and Functional Roles of the Cmr4 Subunit in RNA Cleavage by the Cmr CRISPR-Cas Complex.
Cell Rep, 9, 2014
4RX4
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BU of 4rx4 by Molmil
Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC134 in complex with HIV-1 clade A Q842.d12 gp120
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC134 Heavy chain, ...
Authors:Zhou, T, Acharya, P, Moquin, S, Kwong, P.D.
Deposit date:2014-12-08
Release date:2015-07-01
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
4RUV
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BU of 4ruv by Molmil
Crystal structure of thioredoxin 2 from Staphylococcus aureus NCTC8325
Descriptor: Thioredoxin
Authors:Bose, M, Biswas, R, Roychowdhury, A, Bhattacharyya, S, Ghosh, A.K, Das, A.K.
Deposit date:2014-11-22
Release date:2015-12-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Elucidation of the mechanism of disulfide exchange between staphylococcal thioredoxin2 and thioredoxin reductase2: A structural insight.
Biochimie, 160, 2019
4ORK
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BU of 4ork by Molmil
Crystal Structure of the Phosphotransferase Domain of the Bifunctional Aminoglycoside Resistance Enzyme AAC(6')-Ie-APH(2'')-Ia
Descriptor: Bifunctional AAC/APH, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Smith, C.A, Toth, M, Bhattacharya, M, Frase, H, Vakulenko, S.B.
Deposit date:2014-02-11
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the phosphotransferase domain of the bifunctional aminoglycoside-resistance enzyme AAC(6')-Ie-APH(2'')-Ia.
Acta Crystallogr.,Sect.D, 70, 2014
4MQP
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BU of 4mqp by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with 2-hydrazinylbenzo[d]thiazole
Descriptor: (4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2013-09-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
4C52
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BU of 4c52 by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)
Descriptor: (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
Authors:Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
Deposit date:2013-09-10
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
4CDN
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BU of 4cdn by Molmil
Crystal structure of M. mazei photolyase with its in vivo reconstituted 8-HDF antenna chromophore
Descriptor: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DEOXYRIBODIPYRIMIDINE PHOTOLYASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Kiontke, S, Batschauer, A, Essen, L.-O.
Deposit date:2013-11-01
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Evolutionary Aspects of Antenna Chromophore Usage by Class II Photolyases.
J.Biol.Chem., 289, 2014
4ITG
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BU of 4itg by Molmil
P113S mutant of E. coli Cystathionine beta-lyase MetC
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cystathionine beta-lyase MetC
Authors:Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M.
Deposit date:2013-01-18
Release date:2014-12-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
4O6K
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BU of 4o6k by Molmil
The crystal structure of zebrafish IL-22
Descriptor: Interleukin 22
Authors:Siupka, P, Hamming, O.J, Fretaud, M, Luftalla, G, Levraud, J.P, Hartmann, R.
Deposit date:2013-12-21
Release date:2014-09-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of zebrafish IL-22 reveals an evolutionary, conserved structure highly similar to that of human IL-22.
Genes Immun., 15, 2014
4FN4
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BU of 4fn4 by Molmil
short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Pennacchio, A, Sannino, V, Sorrentino, G, Rossi, M, Raia, C.A, Esposito, L.
Deposit date:2012-06-19
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Biochemical and structural characterization of recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius highly enantioselective on diaryl diketone benzil.
Appl.Microbiol.Biotechnol., 97, 2013

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