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4GVM
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BU of 4gvm by Molmil
HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor
Descriptor: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2012-08-30
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
5C1G
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BU of 5c1g by Molmil
Crystal structure of ABBA + UDP + DI
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, GALACTOSE-URIDINE-5'-DIPHOSPHATE, Histo-blood group ABO system transferase, ...
Authors:Gagnon, S.
Deposit date:2015-06-13
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5E4R
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BU of 5e4r by Molmil
Crystal structure of domain-duplicated synthetic class II ketol-acid reductoisomerase 2Ia_KARI-DD
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Buller, A.R, Arnold, F.H.
Deposit date:2015-10-07
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Artificial domain duplication replicates evolutionary history of ketol-acid reductoisomerases.
Protein Sci., 25, 2016
4H9M
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BU of 4h9m by Molmil
The first Jack bean urease (Canavalia ensiformis) complex obtained at 1.52 resolution
Descriptor: 1,2-ETHANEDIOL, ACETOHYDROXAMIC ACID, NICKEL (II) ION, ...
Authors:Begum, A, Choudhary, M.I, Betzel, C.
Deposit date:2012-09-24
Release date:2012-10-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The first Jack bean urease (Canavalia ensiformis) complex obtained at 1.52 resolution
TO BE PUBLISHED
4HFW
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BU of 4hfw by Molmil
Anti Rotavirus Antibody
Descriptor: 6-26 Fab Heavy chain, 6-26 Fab Light chain, SULFATE ION
Authors:Spiller, B.W, Aiyegbo, M, Crowe, J.E.
Deposit date:2012-10-05
Release date:2013-05-29
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Human Rotavirus VP6-Specific Antibodies Mediate Intracellular Neutralization by Binding to a Quaternary Structure in the Transcriptional Pore.
Plos One, 8, 2013
3IRX
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BU of 3irx by Molmil
Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
Descriptor: (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate, Reverse transcriptase, Reverse transcriptase/ribonuclease H
Authors:Ho, W.C, Arnold, E.
Deposit date:2009-08-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
J.Med.Chem., 52, 2009
5DW8
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BU of 5dw8 by Molmil
Crystal structure of 2'AMP bound SaIMPase-II
Descriptor: ADENOSINE-2'-MONOPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Dutta, A, Bhattacharyya, S, Das, A.K.
Deposit date:2015-09-22
Release date:2015-12-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of 2'AMP bound SaIMPase-II
To Be Published
4K7S
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BU of 4k7s by Molmil
Crystal structure of Zn2-hUb (human ubiquitin) adduct from a solution 35 mM zinc acetate/1.3 mM hUb
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ...
Authors:Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G.
Deposit date:2013-04-17
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
4DYU
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BU of 4dyu by Molmil
The crystal structure of DNA starvation/stationary phase protection protein Dps from Yersinia pestis KIM 10
Descriptor: DNA protection during starvation protein, SULFATE ION, ZINC ION
Authors:Tan, K, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-02-29
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The crystal structure of DNA starvation/stationary phase protection protein Dps from Yersinia pestis KIM 10
To be Published
4E22
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BU of 4e22 by Molmil
Structure of cytidine monophosphate kinase from Yersinia pseudotuberculosis
Descriptor: Cytidylate kinase, SULFATE ION
Authors:Clark, E.A, Acharya, K.R.
Deposit date:2012-03-07
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Structure and function of cytidine monophosphate kinase from Yersinia pseudotuberculosis, essential for virulence but not for survival.
Open Biol, 2, 2012
5EBK
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BU of 5ebk by Molmil
Trypanothione reductase in complex with 6-(sec-butoxy)-2-((3-chlorophenyl)thio)pyrimidin-4-amine
Descriptor: 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Ilari, A, Angiulli, G.
Deposit date:2015-10-19
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Inhibition of Leishmania infantum trypanothione reductase by diaryl sulfide derivatives.
J Enzyme Inhib Med Chem, 32, 2017
4L78
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BU of 4l78 by Molmil
Xenon Trapping and Statistical Coupling Analysis Uncover Regions Important for Structure and Function of Multidomain Protein StPurL
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R.
Deposit date:2013-06-13
Release date:2013-12-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Plos One, 8, 2013
4IAG
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BU of 4iag by Molmil
Crystal structure of ZbmA, the zorbamycin binding protein from Streptomyces flavoviridis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Zbm binding protein
Authors:Cuff, M.E, Bigelow, L, Bruno, C.J.P, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2012-12-06
Release date:2013-02-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892.
Biochemistry, 54, 2015
4HU9
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BU of 4hu9 by Molmil
E. coli thioredoxin variant with (4S)-FluoroPro76 as single proline residue
Descriptor: COPPER (II) ION, Thioredoxin-1
Authors:Scharer, M.A, Rubini, M, Capitani, G, Glockshuber, R.
Deposit date:2012-11-02
Release date:2013-05-29
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:(4R)- and (4S)-Fluoroproline in the Conserved cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering.
Chembiochem, 14, 2013
4LLB
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BU of 4llb by Molmil
Crystal Structure of MOZ double PHD finger histone H3K14ac complex
Descriptor: Histone H3.1, Histone acetyltransferase KAT6A, ZINC ION
Authors:Dreveny, I, Deeves, S.E, Yue, B, Heery, D.M.
Deposit date:2013-07-09
Release date:2013-10-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The double PHD finger domain of MOZ/MYST3 induces alpha-helical structure of the histone H3 tail to facilitate acetylation and methylation sampling and modification.
Nucleic Acids Res., 42, 2014
4LKA
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BU of 4lka by Molmil
Crystal Structure of MOZ double PHD finger histone H3K9ac complex
Descriptor: Histone H3.1, Histone acetyltransferase KAT6A, ZINC ION
Authors:Dreveny, I, Deeves, S.E, Yue, B, Heery, D.M.
Deposit date:2013-07-07
Release date:2013-10-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The double PHD finger domain of MOZ/MYST3 induces alpha-helical structure of the histone H3 tail to facilitate acetylation and methylation sampling and modification.
Nucleic Acids Res., 42, 2014
1Z2L
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BU of 1z2l by Molmil
Crystal structure of Allantoate-amidohydrolase from E.coli K12 in complex with substrate Allantoate
Descriptor: ALLANTOATE ION, Allantoate amidohydrolase, SULFATE ION, ...
Authors:Agarwal, R, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2005-03-08
Release date:2005-03-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural analysis of a ternary complex of allantoate amidohydrolase from Escherichia coli reveals its mechanics.
J.Mol.Biol., 368, 2007
4H1M
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BU of 4h1m by Molmil
Crystal structure of PYK2 with the indole 10c
Descriptor: 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta
Authors:Han, S.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3R9A
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BU of 3r9a by Molmil
Human alanine-glyoxylate aminotransferase in complex with the TPR domain of human PEX5P
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peroxisomal targeting signal 1 receptor, Serine--pyruvate aminotransferase
Authors:Fodor, K, Wilmanns, M.
Deposit date:2011-03-25
Release date:2011-05-11
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular requirements for peroxisomal targeting of alanine-glyoxylate aminotransferase as an essential determinant in primary hyperoxaluria type 1
Plos Biol., 10, 2012
4HE2
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BU of 4he2 by Molmil
Crystal structure of human muscle fructose-1,6-bisphosphatase Q32R mutant complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, 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 (1.6 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
3RP8
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BU of 3rp8 by Molmil
Crystal Structure of Klebsiella pneumoniae R204Q HpxO complexed with FAD
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, flavoprotein monooxygenase
Authors:Hicks, K.A, O'Leary, S.E, Begley, T.P, Ealick, S.E.
Deposit date:2011-04-26
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Structural and Mechanistic Studies of HpxO, a Novel Flavin Adenine Dinucleotide-Dependent Urate Oxidase from Klebsiella pneumoniae.
Biochemistry, 52, 2013
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
4LMX
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BU of 4lmx by Molmil
Light harvesting complex PE555 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: 15,16-DIHYDROBILIVERDIN, PHYCOERYTHROBILIN, cryptophyte phycoerythrin (alpha-1 chain), ...
Authors:Harrop, S.J, Wilk, K.E, Curmi, P.M.G.
Deposit date:2013-07-11
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Single-residue insertion switches the quaternary structure and exciton states of cryptophyte light-harvesting proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4LDC
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BU of 4ldc by Molmil
Crystal Structure of DOC2B C2B domain
Descriptor: CALCIUM ION, CITRATE ANION, Double C2-like domain-containing protein beta
Authors:Giladi, M, Almagor, L, Hirsch, J.A.
Deposit date:2013-06-24
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.264 Å)
Cite:The C2B Domain Is the Primary Ca(2+) Sensor in DOC2B: A Structural and Functional Analysis.
J.Mol.Biol., 425, 2013
4LCV
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BU of 4lcv by Molmil
Crystal Structure of DOC2B C2A domain
Descriptor: BETA-MERCAPTOETHANOL, CALCIUM ION, CITRATE ANION, ...
Authors:Giladi, M, Almagor, L, Hirsch, J.A.
Deposit date:2013-06-23
Release date:2013-09-11
Last modified:2013-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The C2B Domain Is the Primary Ca(2+) Sensor in DOC2B: A Structural and Functional Analysis.
J.Mol.Biol., 425, 2013

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數據於2024-09-11公開中

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