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6JUZ
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BU of 6juz by Molmil
Crystal Structure of N-terminal domain of ArgZ(N71S) covalently bond to a reaction intermediate
Descriptor: 1,2-ETHANEDIOL, ARGININE, Sll1336 protein
Authors:Zhuang, N, Li, L, Wu, X, Zhuang, Y.
Deposit date:2019-04-15
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
5JK5
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BU of 5jk5 by Molmil
Phenylalanine hydroxylase from dictyostelium - BH2 complex
Descriptor: 7,8-DIHYDROBIOPTERIN, FE (III) ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
Authors:Zhuang, N, Lee, K.H.
Deposit date:2016-04-26
Release date:2017-04-26
Method:X-RAY DIFFRACTION (2.071 Å)
Cite:Phenylalanine hydroxylase from dictyostelium - BH2 complex
To Be Published
5JK6
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BU of 5jk6 by Molmil
Phenylalanine hydroxylase from dictyostelium - apo form
Descriptor: FE (III) ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), Phenylalanine-4-hydroxylase
Authors:Zhuang, N, Lee, K.H.
Deposit date:2016-04-26
Release date:2017-04-26
Method:X-RAY DIFFRACTION (2.072 Å)
Cite:Phenylalanine hydroxylase from dictyostelium - apo form
To Be Published
5JK8
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BU of 5jk8 by Molmil
Phenylalanine hydroxylase from dictyostelium - BH2, norleucine complex
Descriptor: 7,8-DIHYDROBIOPTERIN, FE (III) ION, NORLEUCINE, ...
Authors:Zhuang, N, Lee, K.H.
Deposit date:2016-04-26
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Phenylalanine hydroxylase from dictyostelium - BH2, norleucine complex
To Be Published
6JV0
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BU of 6jv0 by Molmil
Crystal Structure of N-terminal domain of ArgZ, bound to Product, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria
Descriptor: 1,2-ETHANEDIOL, L-ornithine, Sll1336 protein
Authors:Zhuang, N, Li, L, Wu, X, Zhang, Y.
Deposit date:2019-04-15
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
6JUY
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BU of 6juy by Molmil
Crystal Structure of ArgZ, apo structure, an Arginine Dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria
Descriptor: Sll1336 protein
Authors:Zhuang, N, Li, L, Wu, X, Zhang, Y.
Deposit date:2019-04-15
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
6JV1
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BU of 6jv1 by Molmil
Crystal Structure of N-terminal domain of ArgZ, C264S mutant, bound to Substrate, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria
Descriptor: ARGININE, Sll1336 protein
Authors:Zhuang, N, Li, L, Wu, X, Zhang, Y.
Deposit date:2019-04-15
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
4HAC
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BU of 4hac by Molmil
Crystal Structure of the Mevalonate Kinase from an Archaeon Methanosarcina mazei
Descriptor: MAGNESIUM ION, Mevalonate kinase
Authors:Zhuang, N, Lee, K.H.
Deposit date:2012-09-26
Release date:2012-12-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystallization and preliminary X-ray diffraction analysis of mevalonate kinase from Methanosarcina mazei.
Acta Crystallogr.,Sect.F, 68, 2012
4HU0
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BU of 4hu0 by Molmil
Crystal Structure of a metagenome-derived cellulase Cel5A in complex with cellotetraose
Descriptor: Cellulase, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Zhuang, N, Lee, K.H.
Deposit date:2012-11-02
Release date:2012-12-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of a metagenome-derived cellulase Cel5A in complex with cellotetraose
To be Published
4HTY
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BU of 4hty by Molmil
Crystal Structure of a metagenome-derived cellulase Cel5A
Descriptor: Cellulase, GLYCEROL
Authors:Zhuang, N, Lee, K.H.
Deposit date:2012-11-02
Release date:2012-12-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and substrate-binding mode of cellulase Cel5A from a metagenome library
To be Published
8UPW
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BU of 8upw by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 34
Descriptor: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Authors:Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
Deposit date:2023-10-23
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPS
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BU of 8ups by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 5
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION
Authors:Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J.
Deposit date:2023-10-23
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPV
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BU of 8upv by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 33
Descriptor: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Authors:Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
Deposit date:2023-10-23
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UTE
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BU of 8ute by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 27
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Authors:Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
Deposit date:2023-10-31
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
3ORF
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BU of 3orf by Molmil
Crystal Structure of Dihydropteridine Reductase from Dictyostelium discoideum
Descriptor: Dihydropteridine reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chen, C, Zhuang, N.N, Seo, K.H, Park, Y.S, Lee, K.H.
Deposit date:2010-09-07
Release date:2011-07-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural insights into the dual substrate specificities of mammalian and Dictyostelium dihydropteridine reductases toward two stereoisomers of quinonoid dihydrobiopterin
Febs Lett., 585, 2011
3QNA
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BU of 3qna by Molmil
Crystal structure of a 6-pyruvoyltetrahydropterin synthase homologue from Esherichia coli complexed sepiapterin
Descriptor: 6-carboxy-5,6,7,8-tetrahydropterin synthase, BIOPTERIN, ZINC ION
Authors:Seo, K.H, Zhuang, N.N, Lee, K.H.
Deposit date:2011-02-08
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of a novel activity of bacterial 6-pyruvoyltetrahydropterin synthase homologues distinct from mammalian 6-pyruvoyltetrahydropterin synthase activity.
Acta Crystallogr.,Sect.D, 70, 2014
3QN9
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BU of 3qn9 by Molmil
Crystal structure of a 6-pyruvoyltetrahydropterin synthase homologue from Esherichia coli
Descriptor: 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:Seo, K.H, Zhuang, N.N, Lee, K.H.
Deposit date:2011-02-08
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Structural basis of a novel activity of bacterial 6-pyruvoyltetrahydropterin synthase homologues distinct from mammalian 6-pyruvoyltetrahydropterin synthase activity.
Acta Crystallogr.,Sect.D, 70, 2014
3QN0
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BU of 3qn0 by Molmil
Structure of 6-pyruvoyltetrahydropterin synthase
Descriptor: 6-carboxy-5,6,7,8-tetrahydropterin synthase, ZINC ION
Authors:Seo, K.H, Zhuang, N.N, Lee, K.H.
Deposit date:2011-02-07
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis of a novel activity of bacterial 6-pyruvoyltetrahydropterin synthase homologues distinct from mammalian 6-pyruvoyltetrahydropterin synthase activity.
Acta Crystallogr.,Sect.D, 70, 2014
5YIU
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BU of 5yiu by Molmil
Caulobacter crescentus GcrA DNA-binding domain (DBD)
Descriptor: Cell cycle regulatory protein GcrA
Authors:Wu, X, Zhang, Y.
Deposit date:2017-10-06
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural insights into the unique mechanism of transcription activation by Caulobacter crescentus GcrA.
Nucleic Acids Res., 46, 2018
5YIW
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BU of 5yiw by Molmil
Caulobacter crescentus GcrA DNA-binding domain (DBD) in complex with methylated dsDNA (crystal form 2)
Descriptor: (R,R)-2,3-BUTANEDIOL, Cell cycle regulatory protein GcrA, DNA (5'-D(*CP*CP*CP*TP*GP*(6MA)P*TP*TP*CP*GP*C)-3'), ...
Authors:Wu, X, Zhang, Y.
Deposit date:2017-10-06
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Structural insights into the unique mechanism of transcription activation by Caulobacter crescentus GcrA.
Nucleic Acids Res., 46, 2018
5YIV
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BU of 5yiv by Molmil
Caulobacter crescentus GcrA DNA-binding domain(DBD) in complex with methylated dsDNA(crystal form 1)
Descriptor: Cell cycle regulatory protein GcrA, DNA (5'-D(*CP*CP*GP*(6MA)P*AP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*(6MA)P*TP*TP*CP*G)-3')
Authors:Wu, X, Zhang, Y.
Deposit date:2017-10-06
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.914 Å)
Cite:Structural insights into the unique mechanism of transcription activation by Caulobacter crescentus GcrA.
Nucleic Acids Res., 46, 2018
5YIX
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BU of 5yix by Molmil
Caulobacter crescentus GcrA sigma-interacting domain (SID) in complex with domain 2 of sigma 70
Descriptor: (R,R)-2,3-BUTANEDIOL, Cell cycle regulatory protein GcrA, RNA polymerase sigma factor RpoD, ...
Authors:Wu, X, Zhang, Y.
Deposit date:2017-10-06
Release date:2018-03-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structural insights into the unique mechanism of transcription activation by Caulobacter crescentus GcrA.
Nucleic Acids Res., 46, 2018
5Z7I
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BU of 5z7i by Molmil
Caulobacter crescentus GcrA DNA-binding domain(DBD)in complex with unmethylated dsDNA
Descriptor: (R,R)-2,3-BUTANEDIOL, Cell cycle regulatory protein GcrA, DNA (5'-D(*CP*CP*CP*TP*GP*AP*TP*TP*CP*GP*C*)-3'), ...
Authors:Wu, X, Zhang, Y.
Deposit date:2018-01-29
Release date:2018-03-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural insights into the unique mechanism of transcription activation by Caulobacter crescentus GcrA.
Nucleic Acids Res., 46, 2018
5ZX2
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BU of 5zx2 by Molmil
Mycobacterium tuberculosis RNA polymerase transcription initiation complex with ECF sigma factor sigma H and 7nt RNA
Descriptor: DNA (47-MER), DNA (48-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Li, L, Zhang, Y.
Deposit date:2018-05-17
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for transcription initiation by bacterial ECF sigma factors.
Nat Commun, 10, 2019
5ZX3
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BU of 5zx3 by Molmil
Mycobacterium tuberculosis RNA polymerase holoenzyme with ECF sigma factor sigma H
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Li, L, Zhang, Y.
Deposit date:2018-05-17
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Structural basis for transcription initiation by bacterial ECF sigma factors.
Nat Commun, 10, 2019

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