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6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
6LS4
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BU of 6ls4 by Molmil
A novel anti-tumor agent S-40 in complex with tubulin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ...
Authors:Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H.
Deposit date:2020-01-17
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
6M4Q
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BU of 6m4q by Molmil
Cytochrome P450 monooxygenase StvP2 substrate-free structure
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y.
Deposit date:2020-03-08
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
6M4P
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BU of 6m4p by Molmil
Cytochrome P450 monooxygenase StvP2 substrate-bound structure
Descriptor: 6-methoxy-streptovaricin C, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y.
Deposit date:2020-03-08
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
6DQC
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BU of 6dqc by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:To be determined
To Be Published
3RJW
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BU of 3rjw by Molmil
Crystal structure of histone lysine methyltransferase g9a with an inhibitor
Descriptor: 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2011-04-15
Release date:2011-05-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.
Nat.Chem.Biol., 7, 2011
7VI7
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BU of 7vi7 by Molmil
Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M.
Deposit date:2021-09-26
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
7VI6
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BU of 7vi6 by Molmil
Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila
Descriptor: Beta-N-acetylhexosaminidase, CHLORIDE ION, MAGNESIUM ION
Authors:Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M.
Deposit date:2021-09-26
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
6OX1
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BU of 6ox1 by Molmil
SETD3 in Complex with an Actin Peptide with Target Histidine Partially Methylated
Descriptor: 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX5
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BU of 6ox5 by Molmil
A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX2
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BU of 6ox2 by Molmil
SETD3in Complex with an Actin Peptide with the Target Histidine Fully Methylated
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
1EYU
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BU of 1eyu by Molmil
HIGH RESOLUTION STRUCTURE OF THE PVUII ENDONCULEASE/COGNATE DNA COMPLEX AT PH 4.6
Descriptor: DNA (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C)-3'), TYPE II RESTRICTION ENZYME PVUII
Authors:Horton, J.R, Cheng, X.
Deposit date:2000-05-09
Release date:2000-07-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:PvuII endonuclease contains two calcium ions in active sites.
J.Mol.Biol., 300, 2000
1F0O
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BU of 1f0o by Molmil
PVUII ENDONUCLEASE/COGNATE DNA COMPLEX (GLUTARALDEHYDE-CROSSLINKED CRYSTAL) AT PH 7.5 WITH TWO CALCIUM IONS AT EACH ACTIVE SITE
Descriptor: (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C-3'), CALCIUM ION, TYPE II RESTRICTION ENZYME PVUII
Authors:Horton, J.R, Cheng, X.
Deposit date:2000-05-16
Release date:2000-11-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:PvuII endonuclease contains two calcium ions in active sites.
J.Mol.Biol., 300, 2000
7EKA
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BU of 7eka by Molmil
crystal structure of epigallocatechin binding with alpha-lactalbumin
Descriptor: 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, Alpha-lactalbumin
Authors:Ma, J, Yao, Q, Chen, X, Zang, J.
Deposit date:2021-04-05
Release date:2023-11-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Weak Binding of Epigallocatechin to alpha-Lactalbumin Greatly Improves Its Stability and Uptake by Caco-2 Cells.
J.Agric.Food Chem., 69, 2021
7CK6
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BU of 7ck6 by Molmil
Protein translocase of mitochondria
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ...
Authors:Yang, M, Wang, W, Zhang, L, Chen, X.
Deposit date:2020-07-15
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Atomic structure of human TOM core complex.
Cell Discov, 6, 2020
9NTJ
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BU of 9ntj by Molmil
Chimeric Adenosine deaminase growth factor (ADGF) in complex with pentostatin
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCOFORMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kaur, G, Horton, J.R, Cheng, X.
Deposit date:2025-03-18
Release date:2025-06-25
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for the substrate specificity of Helix pomatia AMP deaminase and a chimeric ADGF adenosine deaminase.
J.Biol.Chem., 301, 2025
9NTI
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BU of 9nti by Molmil
Chimeric Adenosine deaminase growth factor (ADGF) apoenzyme
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adenosine deaminase AGSA,Adenosine deaminase AGSA,Chimeric adenosine deaminase growth factor, ZINC ION
Authors:Kaur, G, Horton, J.R, Cheng, X.
Deposit date:2025-03-18
Release date:2025-06-25
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the substrate specificity of Helix pomatia AMP deaminase and a chimeric ADGF adenosine deaminase.
J.Biol.Chem., 301, 2025
9NTE
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BU of 9nte by Molmil
Helix pomatia AMP deaminase (HPAMPD) apoenzyme
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kaur, G, Horton, J.R, Cheng, X.
Deposit date:2025-03-18
Release date:2025-06-18
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the substrate specificity of Helix pomatia AMP deaminase and a chimeric ADGF adenosine deaminase.
J.Biol.Chem., 301, 2025
9NTF
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BU of 9ntf by Molmil
Helix pomatia AMP deaminase (HPAMPD) with unknown density in the active site
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kaur, G, Horton, J.R, Cheng, X.
Deposit date:2025-03-18
Release date:2025-06-18
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural basis for the substrate specificity of Helix pomatia AMP deaminase and a chimeric ADGF adenosine deaminase.
J.Biol.Chem., 301, 2025
9NTG
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BU of 9ntg by Molmil
Helix pomatia AMP deaminase (HPAMPD) in complex with Pentostatin
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCOFORMYCIN, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Kaur, G, Horton, J.R, Cheng, X.
Deposit date:2025-03-18
Release date:2025-06-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Helix pomatia AMP deaminase (HPAMPD) in complex with Pentostatin (DCF)
To Be Published
9NTK
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BU of 9ntk by Molmil
Chimeric Adenosine deaminase growth factor (ADGF) in complex with pentostatin monophosphate
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Adenosine deaminase AGSA,Adenosine deaminase AGSA,Chimeric Adenosine deaminase growth factor, ...
Authors:Kaur, G, Horton, J.R, Cheng, X.
Deposit date:2025-03-18
Release date:2025-06-18
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural basis for the substrate specificity of Helix pomatia AMP deaminase and a chimeric ADGF adenosine deaminase.
J.Biol.Chem., 301, 2025
9NTH
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BU of 9nth by Molmil
Helix pomatia AMP deaminase (HPAMPD) in complex with Pentostatin monophosphate (PMP)
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kaur, G, Horton, J.R, Cheng, X.
Deposit date:2025-03-18
Release date:2025-06-18
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural basis for the substrate specificity of Helix pomatia AMP deaminase and a chimeric ADGF adenosine deaminase.
J.Biol.Chem., 301, 2025
7XW7
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BU of 7xw7 by Molmil
TSHR-K1-70 complex
Descriptor: K1-70 scFv, Thyrotropin receptor
Authors:Duan, J, Xu, P, Luan, X, Ji, Y, Yuan, Q, He, X, Ye, J, Cheng, X, Jiang, H, Zhang, S, Jiang, Y, Xu, H.E.
Deposit date:2022-05-26
Release date:2022-08-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Hormone- and antibody-mediated activation of the thyrotropin receptor.
Nature, 609, 2022
2HMY
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BU of 2hmy by Molmil
BINARY COMPLEX OF HHAI METHYLTRANSFERASE WITH ADOMET FORMED IN THE PRESENCE OF A SHORT NONPSECIFIC DNA OLIGONUCLEOTIDE
Descriptor: PROTEIN (CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI), S-ADENOSYLMETHIONINE
Authors:O'Gara, M, Zhang, X, Roberts, R.J, Cheng, X.
Deposit date:1999-02-08
Release date:1999-03-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structure of a binary complex of HhaI methyltransferase with S-adenosyl-L-methionine formed in the presence of a short non-specific DNA oligonucleotide.
J.Mol.Biol., 287, 1999
1BOO
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BU of 1boo by Molmil
PVUII DNA METHYLTRANSFERASE (CYTOSINE-N4-SPECIFIC)
Descriptor: PROTEIN (N-4 CYTOSINE-SPECIFIC METHYLTRANSFERASE PVU II), S-ADENOSYL-L-HOMOCYSTEINE
Authors:Gong, W, O'Gara, M, Blumenthal, R.M, Cheng, X.
Deposit date:1998-07-31
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of pvu II DNA-(cytosine N4) methyltransferase, an example of domain permutation and protein fold assignment.
Nucleic Acids Res., 25, 1997

239149

數據於2025-07-23公開中

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