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1MYI
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BU of 1myi by Molmil
HIGH RESOLUTION X-RAY STRUCTURES OF PIG METMYOGLOBIN AND TWO CD3 MUTANTS MB(LYS45-> ARG) AND MB(LYS45-> SER)
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Smerdon, S.J, Oldfield, T.J, Wilkinson, A.J, Dauter, Z, Petratos, K, Wilson, K.S.
Deposit date:1992-02-27
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution X-ray structures of pig metmyoglobin and two CD3 mutants: Mb(Lys45----Arg) and Mb(Lys45----Ser).
Biochemistry, 31, 1992
4G84
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BU of 4g84 by Molmil
Crystal structure of human HisRS
Descriptor: CHLORIDE ION, Histidine--tRNA ligase, cytoplasmic, ...
Authors:Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P.
Deposit date:2012-07-21
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing.
Structure, 20, 2012
3T2C
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BU of 3t2c by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, DHAP-bound form
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
3T2H
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BU of 3t2h by Molmil
Tetragonal thermolysin in the presence of TMAO
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Cahn, J, Hti Lar Seng, N.S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T2F
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BU of 3t2f by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, soaked with EDTA and DHAP
Descriptor: Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
3T2I
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BU of 3t2i by Molmil
Tetragonal thermolysin in the presence of sarcosine
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Cahn, J, Hti Lar Seng, N.S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
2E1R
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BU of 2e1r by Molmil
Structure of eEF2 in complex with a sordarin derivative
Descriptor: (1S,4S,5S,6R,9S,11S)-6-CHLORO-9-FORMYL-13-ISOPROPYL-5-METHYL-2-({[(3AR,5R,7R ,7AS)-7-METHYL-3-METHYLENEHEXAHYDRO-2H-FURO[2,3-C]PYRAN-5-YL]OXY}METHYL)TETR ACYCLO[7.4.0.02,11.04,8]TRIDEC-12-ENE-1-CARBOXYLIC ACI, Elongation factor 2, GUANOSINE-5'-DIPHOSPHATE
Authors:Soe, R, Mosley, R.T, Andersen, G.R.
Deposit date:2006-10-27
Release date:2006-11-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Sordarin derivatives induce a novel conformation of the yeast ribosome translocation factor eEF2
J.Biol.Chem., 282, 2007
1N4G
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BU of 1n4g by Molmil
Structure of CYP121, a Mycobacterial P450, in Complex with Iodopyrazole
Descriptor: 4-IODOPYRAZOLE, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-31
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450.
J.Biol.Chem., 278, 2003
5TX6
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BU of 5tx6 by Molmil
Structure of TGF-beta2 derivative with deletion of residues 52-71 and 10 single amino acid mutations (mmTGF-beta2-7M)
Descriptor: CALCIUM ION, Transforming growth factor beta-2
Authors:Petrunak, E.M, Hinck, A.P.
Deposit date:2016-11-15
Release date:2017-03-01
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.746 Å)
Cite:An engineered transforming growth factor beta (TGF-beta ) monomer that functions as a dominant negative to block TGF-beta signaling.
J. Biol. Chem., 292, 2017
5TXK
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BU of 5txk by Molmil
CRYSTAL STRUCTURE OF USP35 C450S IN COMPLEX WITH UBIQUITIN
Descriptor: 1,2-ETHANEDIOL, Polyubiquitin-B, SULFATE ION, ...
Authors:Bader, G, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2016-11-17
Release date:2018-05-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Expansion of DUB functionality generated by alternative isoforms - USP35, a case study.
J. Cell. Sci., 131, 2018
2QUO
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BU of 2quo by Molmil
Crystal Structure of C terminal fragment of Clostridium perfringens enterotoxin
Descriptor: Heat-labile enterotoxin B chain, SULFATE ION
Authors:Betts, L, Van Itallie, C.M.
Deposit date:2007-08-06
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the claudin-binding domain of Clostridium perfringens enterotoxin
J.Biol.Chem., 283, 2008
8G43
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BU of 8g43 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
Descriptor: 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION
Authors:Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2023-02-08
Release date:2023-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
2QUU
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BU of 2quu by Molmil
Dihydroxyacetone phosphate Schiff base intermediate in mutant fructose-1,6-bisphosphate aldolase from rabbit muscle
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase A
Authors:St-Jean, M, Sygusch, J.
Deposit date:2007-08-06
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Stereospecific proton transfer by a mobile catalyst in mammalian fructose-1,6-bisphosphate aldolase
J.Biol.Chem., 282, 2007
3T2G
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BU of 3t2g by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, Y229F variant with DHAP
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
3T2J
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BU of 3t2j by Molmil
Tetragonal thermolysin in the presence of betaine
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Cahn, J, Hti Lar Seng, N.S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
2LW7
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BU of 2lw7 by Molmil
NMR solution structure of human HisRS splice variant
Descriptor: Histidine--tRNA ligase, cytoplasmic
Authors:Ye, F, Wei, Z, Wu, J, Schimmel, P, Zhang, M.
Deposit date:2012-07-24
Release date:2013-09-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structure of human HisRS splice variant
To be Published
8G44
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BU of 8g44 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
Descriptor: 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION
Authors:Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2023-02-08
Release date:2023-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
3T0T
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BU of 3t0t by Molmil
Crystal structure of S. aureus Pyruvate Kinase
Descriptor: N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide, PHOSPHATE ION, Pyruvate kinase
Authors:Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
Deposit date:2011-07-20
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Cheminformatics-driven discovery of selective, nanomolar inhibitors for staphylococcal pyruvate kinase.
Acs Chem.Biol., 7, 2012
6AKD
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BU of 6akd by Molmil
Crystal structure of IdnL7
Descriptor: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, AMP-dependent synthetase and ligase, GLYCEROL
Authors:Cieslak, J, Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2018-08-31
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional and structural characterization of IdnL7, an adenylation enzyme involved in incednine biosynthesis.
Acta Crystallogr F Struct Biol Commun, 75, 2019
1N40
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BU of 1n40 by Molmil
Atomic structure of CYP121, a mycobacterial P450
Descriptor: Cytochrome P450 121, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-30
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450.
J.Biol.Chem., 278, 2003
6UOK
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BU of 6uok by Molmil
Y271G DNA polymerase beta substrate complex with templating cytosine and incoming r8-oxo-GTP
Descriptor: 1,2-ETHANEDIOL, 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Smith, M.R, Freudenthal, B.D.
Deposit date:2019-10-15
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta.
J.Biol.Chem., 295, 2020
1WX5
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BU of 1wx5 by Molmil
Crystal Structure of the copper-free Streptomyces castaneoglobisporus tyrosinase complexed with a caddie protein in the monoclinic crystal
Descriptor: CHLORIDE ION, MelC, SODIUM ION, ...
Authors:Matoba, Y, Kumagai, T, Yamamoto, A, Yoshitsu, H, Sugiyama, M.
Deposit date:2005-01-19
Release date:2006-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystallographic Evidence That the Dinuclear Copper Center of Tyrosinase Is Flexible during Catalysis
J.Biol.Chem., 281, 2006
5U59
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BU of 5u59 by Molmil
Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate
Descriptor: CITRIC ACID, COPPER (II) ION, Designed dimeric coiled coil peptide with two terpyridine side chains
Authors:Tavenor, N.A, Murnin, M.J, Horne, W.S.
Deposit date:2016-12-06
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Supramolecular Metal-Coordination Polymers, Nets, and Frameworks from Synthetic Coiled-Coil Peptides.
J. Am. Chem. Soc., 139, 2017
1LL8
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BU of 1ll8 by Molmil
Structure and interactions of PAS kinase N-terminal PAS domain: Model for intramolecular kinase regulation
Descriptor: PAS Kinase
Authors:Amezcua, C.A, Harper, S.M, Rutter, J, Gardner, K.H.
Deposit date:2002-04-26
Release date:2002-10-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and interactions of PAS kinase N-terminal PAS domain: model for intramolecular kinase regulation.
Structure, 10, 2002
4XXB
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BU of 4xxb by Molmil
Crystal structure of human MDM2-RPL11
Descriptor: 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Zheng, J, Chen, Z.
Deposit date:2015-01-30
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation
Genes Dev., 29, 2015

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数据于2024-09-11公开中

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