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4AX8
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BU of 4ax8 by Molmil
Medium resolution structure of the bifunctional kinase- methyltransferase WbdD
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, S-ADENOSYLMETHIONINE, ...
Authors:Hagelueken, G, Huang, H, Naismith, J.H.
Deposit date:2012-06-11
Release date:2012-10-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallization, Dehydration and Experimental Phasing of Wbdd, a Bifunctional Kinase and Methyltransferase from Escherichia Coli O9A.
Acta Crystallogr.,Sect.D, 68, 2012
4AZV
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BU of 4azv by Molmil
Co-crystal structure of WbdD and kinase inhibitor GW435821x.
Descriptor: CHLORIDE ION, S-ADENOSYLMETHIONINE, SULFATE ION, ...
Authors:Hagelueken, G, Huang, H, Naismith, J.H.
Deposit date:2012-06-26
Release date:2012-09-26
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (3.291 Å)
Cite:Structure of Wbdd; a Bifunctional Kinase and Methyltransferase that Regulates the Chain Length of the O Antigen in Escherichia Coli O9A.
Mol.Microbiol., 86, 2012
8GW4
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BU of 8gw4 by Molmil
SARS-CoV-2 Mpro 1-302/C145A in complex with peptide 8-1
Descriptor: Replicase polyprotein 1ab, peptide 8-1
Authors:Liu, M, Huang, H.
Deposit date:2022-09-16
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:SARS-CoV-2 Mpro in complex with peptide8m
To Be Published
8GWS
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BU of 8gws by Molmil
SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4
Descriptor: Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG
Authors:Liu, M, Fu, Z, Huang, H.
Deposit date:2022-09-17
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4
To Be Published
7V1K
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BU of 7v1k by Molmil
Apo structure of sNASP core
Descriptor: Isoform 2 of Nuclear autoantigenic sperm protein
Authors:Bao, H, Huang, H.
Deposit date:2021-08-04
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.287 Å)
Cite:NASP maintains histone H3-H4 homeostasis through two distinct H3 binding modes.
Nucleic Acids Res., 50, 2022
7V1L
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BU of 7v1l by Molmil
Structure of sNASP core in complex with H3 alpha3 helix peptide
Descriptor: H3 alpha3 helix peptide, Isoform 2 of Nuclear autoantigenic sperm protein
Authors:Bao, H, Huang, H.
Deposit date:2021-08-04
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.849 Å)
Cite:NASP maintains histone H3-H4 homeostasis through two distinct H3 binding modes.
Nucleic Acids Res., 50, 2022
8GWJ
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BU of 8gwj by Molmil
SARS CoV-2 Mpro 1-302 C145A in complex with peptide 7
Descriptor: Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-VAL-PHE-ARG
Authors:Liu, M, Huang, H.
Deposit date:2022-09-17
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:SARS CoV-2 Mpro 1-302 C145A in complex with peptide 7
To Be Published
8GVD
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BU of 8gvd by Molmil
SARS-CoV-2 Mpro in complex with D-4-38
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, 3C-like proteinase nsp5
Authors:Liu, M, Huang, H.
Deposit date:2022-09-14
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:SARS-CoV-2 Mpro in complex with D-4-38
To Be Published
8GVY
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BU of 8gvy by Molmil
SARS CoV-2 Mpro in complex with D-3-149
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, 3C-like proteinase nsp5
Authors:Liu, M, Huang, H.
Deposit date:2022-09-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SARS CoV-2 Mpro in complex with D-3-149
To Be Published
8GXR
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BU of 8gxr by Molmil
crystal structure of UBC domain of UBE2O
Descriptor: (E3-independent) E2 ubiquitin-conjugating enzyme UBE2O, CITRIC ACID
Authors:Fu, Z, Zhu, W, Huang, H.
Deposit date:2022-09-21
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:crystal structure of UBE2O
To Be Published
2ROA
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BU of 2roa by Molmil
Solution structure of calcium bound soybean calmodulin isoform 4 N-terminal domain
Descriptor: CALCIUM ION, Calmodulin
Authors:Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J.
Deposit date:2008-03-14
Release date:2008-04-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008
2ROB
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BU of 2rob by Molmil
Solution structure of calcium bound soybean calmodulin isoform 4 C-terminal domain
Descriptor: CALCIUM ION, Calmodulin
Authors:Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J.
Deposit date:2008-03-14
Release date:2008-04-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008
2RO9
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BU of 2ro9 by Molmil
Solution structure of calcium bound soybean calmodulin isoform 1 C-terminal domain
Descriptor: CALCIUM ION, Calmodulin-2
Authors:Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J.
Deposit date:2008-03-14
Release date:2008-04-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008
2RO8
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BU of 2ro8 by Molmil
Solution structure of calcium bound soybean calmodulin isoform 1 N-terminal domain
Descriptor: CALCIUM ION, Calmodulin
Authors:Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J.
Deposit date:2008-03-14
Release date:2008-04-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008
7VKA
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BU of 7vka by Molmil
Crystal Structure of GH3.6 in complex with an inhibitor
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, Indole-3-acetic acid-amido synthetase GH3.6, ...
Authors:Wang, N, Luo, M, Bao, H, Huang, H.
Deposit date:2021-09-29
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Chemical genetic screening identifies nalacin as an inhibitor of GH3 amido synthetase for auxin conjugation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7CJM
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BU of 7cjm by Molmil
SARS CoV-2 PLpro in complex with GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
Authors:Fu, Z, Huang, H.
Deposit date:2020-07-11
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
4J9U
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BU of 4j9u by Molmil
Crystal Structure of the TrkH/TrkA potassium transport complex
Descriptor: HEXATANTALUM DODECABROMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Cao, Y, Jin, X, Huang, H, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2013-02-17
Release date:2013-04-03
Last modified:2013-05-01
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Gating of the TrkH ion channel by its associated RCK protein TrkA.
Nature, 496, 2013
5T57
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BU of 5t57 by Molmil
Crystal Structure of a Semialdehyde dehydrogenase NAD-binding Protein from Cupriavidus necator in Complex with Calcium and NAD
Descriptor: CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Semialdehyde dehydrogenase NAD-binding protein, ...
Authors:Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C.
Deposit date:2016-08-30
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of a Semialdehyde dehydrogenase NAD-binding Protein from Cupriavidus necator in Complex with Calcium and NAD
To be published
5TNV
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BU of 5tnv by Molmil
Crystal Structure of a Xylose isomerase-like TIM barrel Protein from Mycobacterium smegmatis in Complex with Magnesium
Descriptor: AP endonuclease, family protein 2, MAGNESIUM ION
Authors:Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C.
Deposit date:2016-10-14
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal Structure of a Xylose isomerase-like TIM barrel Protein from Mycobacterium smegmatis in Complex with Magnesium
To Be Published
3GYO
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BU of 3gyo by Molmil
Se-Met Rtt106p
Descriptor: Histone chaperone RTT106
Authors:Liu, Y, Huang, H, Shi, Y, Teng, M.
Deposit date:2009-04-04
Release date:2009-12-08
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural analysis of Rtt106p reveals a DNA-binding role required for heterochromatin silencing
J.Biol.Chem., 285, 2010
3GYP
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BU of 3gyp by Molmil
Rtt106p
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Histone chaperone RTT106
Authors:Liu, Y, Huang, H, Shi, Y, Teng, M.
Deposit date:2009-04-04
Release date:2009-12-08
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Structural analysis of Rtt106p reveals a DNA-binding role required for heterochromatin silencing
J.Biol.Chem., 285, 2010
5UHW
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BU of 5uhw by Molmil
Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+ and Magnesium
Descriptor: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase protein
Authors:Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C.
Deposit date:2017-01-12
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+ and Magnesium
To be published
5UHZ
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BU of 5uhz by Molmil
Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, D-Apionate and Magnesium
Descriptor: (3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C.
Deposit date:2017-01-12
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, D-Apionate and Magnesium
To be published
5UIB
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BU of 5uib by Molmil
Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, L-tartaric acid and Magnesium
Descriptor: L(+)-TARTARIC ACID, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C.
Deposit date:2017-01-13
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, L-tartaric acid and Magnesium
To be published
5UIA
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BU of 5uia by Molmil
Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium
Descriptor: (2S)-2,3-dihydroxy-3-methylbutanoic acid, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C.
Deposit date:2017-01-13
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium
To be published

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