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6MBO
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BU of 6mbo by Molmil
GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form
Descriptor: 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-08-30
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
7C39
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BU of 7c39 by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora in complex with methylated L-fucose
Descriptor: AoflcA, CITRIC ACID, GLYCEROL, ...
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-11
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
7C3D
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BU of 7c3d by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-arabinose
Descriptor: AofleA, GLYCEROL, alpha-D-arabinopyranose, ...
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-12
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
7C38
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BU of 7c38 by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora in complex with L-fucose
Descriptor: AofleA, GLYCEROL, alpha-L-fucopyranose, ...
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-11
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
7C3E
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BU of 7c3e by Molmil
Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys oligospora
Descriptor: AofleA, GLYCEROL, SULFATE ION
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-12
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.183 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
7C3C
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BU of 7c3c by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose
Descriptor: AofleA, GLYCEROL, alpha-D-mannopyranose, ...
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-12
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
7C37
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BU of 7c37 by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora
Descriptor: AofleA, BICINE
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-11
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
6B0O
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BU of 6b0o by Molmil
Zinc finger Domain of WT1(-KTS form) with 12+1mer Oligonucleotide with 3' Triplet TGT
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*TP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-09-14
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
6B0P
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BU of 6b0p by Molmil
Zinc finger Domain of WT1(-KTS form) with 12+1mer Oligonucleotide with 3' Triplet GGT
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(P*AP*CP*CP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*TP*GP*GP*GP*AP*GP*GP*GP*T)-3'), ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-09-14
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.077 Å)
Cite:Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
3PTR
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BU of 3ptr by Molmil
PHF2 Jumonji domain
Descriptor: 1,2-ETHANEDIOL, PHD finger protein 2
Authors:Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X.
Deposit date:2010-12-03
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
3PUA
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BU of 3pua by Molmil
PHF2 Jumonji-NOG-Ni(II)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-OXALYLGLYCINE, ...
Authors:Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X.
Deposit date:2010-12-03
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
3PU8
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BU of 3pu8 by Molmil
PHF2 Jumonji-NOG-Fe(II) complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
Authors:Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X.
Deposit date:2010-12-03
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
3PUS
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BU of 3pus by Molmil
PHF2 Jumonji-NOG-Ni(II)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-OXALYLGLYCINE, ...
Authors:Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X.
Deposit date:2010-12-06
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
3QXY
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BU of 3qxy by Molmil
Human SETD6 in complex with RelA Lys310
Descriptor: 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ...
Authors:Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X.
Deposit date:2011-03-02
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling.
Nucleic Acids Res., 39, 2011
3PU3
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BU of 3pu3 by Molmil
PHF2 Jumonji domain-NOG complex
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-OXALYLGLYCINE, ...
Authors:Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X.
Deposit date:2010-12-03
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
3RC0
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BU of 3rc0 by Molmil
Human SETD6 in complex with RelA Lys310 peptide
Descriptor: 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ...
Authors:Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X.
Deposit date:2011-03-30
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling.
Nucleic Acids Res., 39, 2011
3QO2
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BU of 3qo2 by Molmil
Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9
Descriptor: 1,2-ETHANEDIOL, Histone H3 peptide, M-phase phosphoprotein 8
Authors:Chang, Y, Horton, J.R, Bedford, M.T, Zhang, X, Cheng, X.
Deposit date:2011-02-09
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9: potential effect of phosphorylation on methyl-lysine binding.
J.Mol.Biol., 408, 2011
3RDH
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BU of 3rdh by Molmil
X-ray induced covalent inhibition of 14-3-3
Descriptor: 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION
Authors:Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
Deposit date:2011-04-01
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PVI
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BU of 3pvi by Molmil
D34G MUTANT OF PVUII ENDONUCLEASE COMPLEXED WITH COGNATE DNA SHOWS THAT ASP34 IS DIRECTLY INVOLVED IN DNA RECOGNITION AND INDIRECTLY INVOLVED IN CATALYSIS
Descriptor: DNA (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C)-3'), PROTEIN (PVUII ENDONUCLEASE)
Authors:Horton, J.R, Cheng, X.
Deposit date:1998-10-09
Release date:1998-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Asp34 of PvuII endonuclease is directly involved in DNA minor groove recognition and indirectly involved in catalysis.
J.Mol.Biol., 284, 1998
2H11
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BU of 2h11 by Molmil
Amino-terminal Truncated Thiopurine S-Methyltransferase Complexed with S-Adenosyl-L-Homocysteine
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, THIOCYANATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2006-05-15
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis of allele variation of human thiopurine-S-methyltransferase.
Proteins, 67, 2007
2G45
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BU of 2g45 by Molmil
Co-crystal structure of znf ubp domain from the deubiquitinating enzyme isopeptidase T (isot) in complex with ubiquitin
Descriptor: CHLORIDE ION, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 5, ...
Authors:Reyes-Turcu, F.E, Horton, J.R, Mullally, J.E, Heroux, A, Cheng, X, Wilkinson, K.D.
Deposit date:2006-02-21
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Ubiquitin Binding Domain ZnF UBP Recognizes the C-Terminal Diglycine Motif of Unanchored Ubiquitin.
Cell(Cambridge,Mass.), 124, 2006
2G43
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BU of 2g43 by Molmil
Structure of the ZNF UBP domain from deubiquitinating enzyme isopeptidase T (IsoT)
Descriptor: UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ZINC ION
Authors:Reyes-Turcu, F.E, Horton, J.R, Mullally, J.E, Heroux, A, Cheng, X, Wilkinson, K.D.
Deposit date:2006-02-21
Release date:2006-04-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Ubiquitin Binding Domain ZnF UBP Recognizes the C-Terminal Diglycine Motif of Unanchored Ubiquitin.
Cell(Cambridge,Mass.), 124, 2006
2G1P
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BU of 2g1p by Molmil
Structure of E. coli DNA adenine methyltransferase (DAM)
Descriptor: 5'-D(*TP*CP*TP*AP*GP*AP*TP*CP*TP*AP*GP*A)-3', DNA adenine methylase, GLYCEROL, ...
Authors:Horton, J.R, Liebert, K, Bekes, M, Jeltsch, A, Cheng, X.
Deposit date:2006-02-14
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure and substrate recognition of the Escherichia coli DNA adenine methyltransferase.
J.Mol.Biol., 358, 2006
7WPF
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BU of 7wpf by Molmil
SARS-CoV-2 Omicron Variant S Trimer complexed with three JMB2002 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ...
Authors:Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E.
Deposit date:2022-01-23
Release date:2022-03-16
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7WPE
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BU of 7wpe by Molmil
SARS-CoV-2 Omicron Variant S Trimer complexed with two JMB2002 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ...
Authors:Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E.
Deposit date:2022-01-23
Release date:2022-03-23
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022

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