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6FLH
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BU of 6flh by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, SOD1 7+7, apo form
Descriptor: GLYCEROL, SULFATE ION, Superoxide dismutase [Cu-Zn]
Authors:Wang, H, Yang, F, Logan, D, Oliveberg, M.
Deposit date:2018-01-25
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The Cost of Long Catalytic Loops in Folding and Stability of the ALS-Associated Protein SOD1.
J.Am.Chem.Soc., 140, 2018
5DJU
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BU of 5dju by Molmil
Crystal structure of LOV2 (C450A) domain in complex with Zdk3
Descriptor: CHLORIDE ION, Engineered protein, Zdk3 affibody, ...
Authors:Tarnawski, M, Wang, H, Yumerefendi, H, Hahn, K.M, Schlichting, I.
Deposit date:2015-09-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
4QBS
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BU of 4qbs by Molmil
Crystal structure of DNMT3a ADD domain E545R mutant bound to H3T3ph peptide
Descriptor: DNA (cytosine-5)-methyltransferase 3A, Histone H3, SULFATE ION, ...
Authors:Wang, H, Li, H.
Deposit date:2014-05-08
Release date:2015-05-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering of a histone-recognition domain in a de novo DNA methyltransferase alters the epigenetic landscape of ESCs
To be Published
4QBR
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BU of 4qbr by Molmil
Crystal structure of DNMT3a ADD domain G550D mutant bound to H3 peptide
Descriptor: DNA (cytosine-5)-methyltransferase 3A, Histone H3, ZINC ION
Authors:Wang, H, Li, H.
Deposit date:2014-05-08
Release date:2015-05-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Engineering of a histone-recognition domain in a de novo DNA methyltransferase alters the epigenetic landscape of ESCs
To be Published
4I15
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BU of 4i15 by Molmil
Crystal structure of TbrPDEB1
Descriptor: Class 1 phosphodiesterase PDEB1, MAGNESIUM ION, ZINC ION
Authors:Wang, H, Ke, H.
Deposit date:2012-11-20
Release date:2013-03-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal Structure.
J.Med.Chem., 56, 2013
5DJT
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BU of 5djt by Molmil
Crystal structure of LOV2 (C450A) domain in complex with Zdk2
Descriptor: CHLORIDE ION, COPPER (II) ION, Engineered protein, ...
Authors:Tarnawski, M, Wang, H, Yumerefendi, H, Hahn, K.M, Schlichting, I.
Deposit date:2015-09-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
6LZH
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BU of 6lzh by Molmil
Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18
Descriptor: GrgF, SODIUM ION
Authors:Wang, H, Yu, J, Wang, W.G, Matsuda, Y, Yao, M.
Deposit date:2020-02-19
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A.
J.Am.Chem.Soc., 142, 2020
2DUC
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BU of 2duc by Molmil
Crystal structure of SARS coronavirus main proteinase(3CLPRO)
Descriptor: Replicase polyprotein 1ab
Authors:Wang, H, Kim, Y.T, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-07-21
Release date:2007-07-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5B6O
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BU of 5b6o by Molmil
Crystal structure of MS8104
Descriptor: 3C-like proteinase
Authors:Wang, H, Kim, Y, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2016-05-31
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5BYB
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BU of 5byb by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PA)2-IP4
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2015-06-10
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthetic tools for studying the chemical biology of InsP8.
Chem.Commun.(Camb.), 51, 2015
7U2L
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BU of 7u2l by Molmil
C5guano-uOR-Gi-scFv16
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, H, Qu, Q, Skiniotis, G, Kobilka, B.
Deposit date:2022-02-24
Release date:2022-05-04
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
5BYA
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BU of 5bya by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PCP)2-IP4
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2015-06-10
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthetic tools for studying the chemical biology of InsP8.
Chem.Commun.(Camb.), 51, 2015
7U2K
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BU of 7u2k by Molmil
C6-guano bound Mu Opioid Receptor-Gi Protein Complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, H, Kobilka, B.
Deposit date:2022-02-24
Release date:2022-12-07
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
4IQ8
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BU of 4iq8 by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 3 from Saccharomyces cerevisiae
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase 3
Authors:Wang, H, Liu, Q, Niu, L, Teng, M, Li, X.
Deposit date:2013-01-11
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Preliminary crystallographic analysis of glyceraldehyde-3-phosphate dehydrogenase 3 from Saccharomyces cerevisiae.
Acta Crystallogr.,Sect.F, 68, 2012
5EFW
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BU of 5efw by Molmil
Crystal structure of LOV2-Zdk1 - the complex of oat LOV2 and the affibody protein Zdark1
Descriptor: FLAVIN MONONUCLEOTIDE, NPH1-1, SULFATE ION, ...
Authors:Winkler, A, Wang, H, Hartmann, E, Hahn, K, Schlichting, I.
Deposit date:2015-10-26
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
5DGH
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BU of 5dgh by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and 5-(PCP)-IP5
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2015-08-27
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cellular Cations Control Conformational Switching of Inositol Pyrophosphate Analogues.
Chemistry, 22, 2016
8G9E
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BU of 8g9e by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and 5-(PCF2P)-IP5, an analog of 5-IP7
Descriptor: Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2023-02-21
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
5DGI
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BU of 5dgi by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 3,5-(PCP)2-IP4
Descriptor: 1,2-ETHANEDIOL, 3,5-di-methylenebisphosphonate inositol tetrakisphosphate, ACETATE ION, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2015-08-27
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cellular Cations Control Conformational Switching of Inositol Pyrophosphate Analogues.
Chemistry, 22, 2016
6LMJ
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BU of 6lmj by Molmil
ASFV pA104R in complex with double-strand DNA
Descriptor: A104R, DNA (5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*A)-3')
Authors:Wang, H, Qi, J, Chai, Y, Gao, F, Liu, R.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6M8D
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BU of 6m8d by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with diosmetin
Descriptor: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8B
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BU of 6m8b by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with kaempferol
Descriptor: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6LMH
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BU of 6lmh by Molmil
Structure of an ASFV-derived histone-like protein pA104R
Descriptor: pA104R
Authors:Wang, H, Qi, J, Chai, Y, Gao, F.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6M8C
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BU of 6m8c by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with isorhamnetin
Descriptor: Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, isorhamnetin
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8A
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BU of 6m8a by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with luteolin
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8E
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BU of 6m8e by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with rhamnetin
Descriptor: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019

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數據於2024-10-16公開中

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