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3GSQ
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BU of 3gsq by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5S peptide variant
Descriptor: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5S (NLVPSVATV), ...
Authors:Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
Deposit date:2009-03-27
Release date:2009-08-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
6ZA7
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BU of 6za7 by Molmil
Structure of the apo transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2020-06-04
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
4FCS
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BU of 4fcs by Molmil
The crystal structures of several mutants of pleurotus eryngii versatile peroxidase
Descriptor: CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T.
Deposit date:2012-05-25
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE.
J.Biol.Chem., 287, 2012
3UI6
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BU of 3ui6 by Molmil
0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
Authors:Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
Deposit date:2011-11-04
Release date:2012-11-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
6JW8
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BU of 6jw8 by Molmil
The crystal structure of KanD2 in complex with NADH and 3"-deamino-3"-hydroxykanamycin B
Descriptor: (2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dehydrogenase
Authors:Kudo, F, Kitayama, Y, Miyanaga, A, Hirayama, A, Eguchi, T.
Deposit date:2019-04-18
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biochemical and structural analysis of a dehydrogenase, KanD2, and an aminotransferase, KanS2, that are responsible for the construction of the kanosamine moiety in kanamycin biosynthesis.
Biochemistry, 59, 2020
4FL7
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BU of 4fl7 by Molmil
The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide
Descriptor: BENZHYDROXAMIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2012-06-14
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 48, 2012
4W7J
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BU of 4w7j by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
3H6O
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BU of 3h6o by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-04-23
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
3UGF
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BU of 3ugf by Molmil
Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Lammens, W, Rabijns, A, Van Laere, A, Strelkov, S.V, Van den Ende, W.
Deposit date:2011-11-02
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of 6-SST/6-SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6-kestose.
Plant J., 70, 2012
6KMP
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BU of 6kmp by Molmil
100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1
Descriptor: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, Protease
Authors:Das, A, Kovalevsky, A.
Deposit date:2019-07-31
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
3UGH
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BU of 3ugh by Molmil
Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis in complex with 6-kestose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Lammens, W, Rabijns, A, Van Laere, A, Strelkov, S.V, Van den Ende, W.
Deposit date:2011-11-02
Release date:2011-11-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of 6-SST/6-SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6-kestose.
Plant J., 70, 2012
3HH1
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BU of 3hh1 by Molmil
The Structure of a Tetrapyrrole methylase family protein domain from Chlorobium tepidum TLS
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Tetrapyrrole methylase family protein
Authors:Cuff, M.E, Sather, A, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-14
Release date:2009-07-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Structure of a Tetrapyrrole methylase family protein domain from Chlorobium tepidum TLS.
TO BE PUBLISHED
4W7M
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BU of 4w7m by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. W377S MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
3HHV
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BU of 3hhv by Molmil
The crystal structure of the Thioredoxin A2 from Sulfolobus solfataricus
Descriptor: Thioredoxin (TrxA-2)
Authors:Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L.
Deposit date:2009-05-18
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability
Proteins, 77, 2009
6QMM
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BU of 6qmm by Molmil
Crystal structure of Synecochoccus Spermidine Synthase in complex with putrescine, spermidine and MTA
Descriptor: (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Guedez, G, Pothipongsa, A, Incharoensakdi, A, Salminen, T.A.
Deposit date:2019-02-07
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of dimericSynechococcusspermidine synthase with bound polyamine substrate and product.
Biochem.J., 476, 2019
3HD8
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BU of 3hd8 by Molmil
Crystal structure of the Triticum aestivum xylanase inhibitor-IIA in complex with bacillus subtilis xylanase
Descriptor: Endo-1,4-beta-xylanase A, Xylanase inhibitor
Authors:Sansen, S, Pollet, A, Raedschelders, G, Gebruers, K, Rabijns, A, Courtin, C.M.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Identification of structural determinants for inhibition strength and specificity of wheat xylanase inhibitors TAXI-IA and TAXI-IIA
Febs J., 276, 2009
4W7K
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BU of 4w7k by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. Y147S MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
6QPA
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BU of 6qpa by Molmil
Halothiobacillus neapolitanus sulfur oxygenase reductase
Descriptor: FE (III) ION, SULFATE ION, Sulfur oxygenase/reductase
Authors:Frazao, C, Klezin, A, Poell, U, Veith, A, Ruehl, P, Coelho, R.
Deposit date:2019-02-13
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple sulfane modifications in active-site cysteine thiols of two sulfur oxygenase reductases and analysis of substrate/product channels
To Be Published
7LO1
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BU of 7lo1 by Molmil
FAD-dependent monooxygenase AfoD from A. nidulans
Descriptor: FAD-dependent monooxygenase afoD, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Rodriguez Benitez, A, Smith, J.L, Narayan, A.R.H.
Deposit date:2021-02-08
Release date:2022-04-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Deciphering the evolution of flavin-dependent monooxygenase stereoselectivity using ancestral sequence reconstruction.
Proc.Natl.Acad.Sci.USA, 120, 2023
3HDJ
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BU of 3hdj by Molmil
The crystal structure of probable ornithine cyclodeaminase from Bordetella pertussis Tohama I
Descriptor: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ...
Authors:Tan, K, Sather, A, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-07
Release date:2009-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of probable ornithine cyclodeaminase from Bordetella pertussis Tohama I
To be Published
8RRY
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BU of 8rry by Molmil
Crystal structure of copper-loaded SmAA10
Descriptor: CBP21, CITRIC ACID, COPPER (II) ION, ...
Authors:Munzone, A, Pujol, M, Reglier, M, Royant, A, Simaan, A.J, Decroos, C.
Deposit date:2024-01-24
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.45561326 Å)
Cite:Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens.
Inorg.Chem., 63, 2024
6K8Q
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BU of 6k8q by Molmil
Solution structure of the intermembrane space domain of the mitochondrial import protein Tim21 from S. cerevisiae
Descriptor: Mitochondrial import inner membrane translocase subunit TIM21
Authors:Bala, S, Shinya, S, Srivastava, A, Shimada, A, Kobayashi, N, Kojima, C, Tama, F, Miyashita, O, Kohda, D.
Deposit date:2019-06-13
Release date:2019-09-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
4WCG
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BU of 4wcg by Molmil
The binding mode of Cyprinid Herpesvirus3 ORF112-Zalpha to Z-DNA
Descriptor: DNA (5'-D(P*CP*GP*CP*GP*CP*G)-3'), ORF112, SULFATE ION
Authors:Kus, K, Athanasiadis, A.
Deposit date:2014-09-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Structure of the Cyprinid herpesvirus 3 ORF112-Z alpha Z-DNA Complex Reveals a Mechanism of Nucleic Acids Recognition Conserved with E3L, a Poxvirus Inhibitor of Interferon Response.
J.Biol.Chem., 290, 2015
4FCN
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BU of 4fcn by Molmil
The crystal structures of several mutants of pleurotus eryngii versatile peroxidase
Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T.
Deposit date:2012-05-25
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE.
J.Biol.Chem., 287, 2012
8S8A
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BU of 8s8a by Molmil
Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate
Descriptor: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ...
Authors:Brenner, M, Gohla, A, Schindelin, H.
Deposit date:2024-03-06
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024

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数据于2024-07-10公开中

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