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7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
Descriptor: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-30
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-29
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
5JI8
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BU of 5ji8 by Molmil
Crystal structure of the BRD9 bromodomain and hit 1
Descriptor: 2-amino-1,3-benzothiazole-6-carboxamide, Bromodomain-containing protein 9
Authors:Wang, N, Li, F, Bao, H, Li, J, Wu, J, Ruan, K.
Deposit date:2016-04-22
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:NMR Fragment Screening Hit Induces Plasticity of BRD7/9 Bromodomains
Chembiochem, 17, 2016
8H43
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BU of 8h43 by Molmil
Crystal structure of PHF1 Tudor domain in complex with hit 1
Descriptor: 2-[(3S)-piperidin-3-yl]-1,3-benzoxazole, PHD finger protein 1
Authors:Liu, Y, Ruan, K.
Deposit date:2022-10-10
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of PHF1 Tudor domain in complex with hit 1
To be published
7XC4
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BU of 7xc4 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin
Descriptor: 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3
Authors:Li, J, Liu, Y, Gao, J, Ruan, K.
Deposit date:2022-03-22
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
Descriptor: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
Authors:Liu, J, Ruan, K.
Deposit date:2017-10-09
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
4K6N
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BU of 4k6n by Molmil
Crystal structure of yeast 4-amino-4-deoxychorismate lyase
Descriptor: Aminodeoxychorismate lyase, PYRIDOXAL-5'-PHOSPHATE
Authors:Dai, Y.-N, Chi, C.-B, Zhou, K, Cheng, W, Jiang, Y.-L, Ren, Y.-M, Chen, Y, Zhou, C.-Z.
Deposit date:2013-04-16
Release date:2013-07-10
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and catalytic mechanism of yeast 4-amino-4-deoxychorismate lyase
J.Biol.Chem., 288, 2013
2LUY
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BU of 2luy by Molmil
Solution structure of the tandem zinc finger domain of fission yeast Stc1
Descriptor: Meiotic chromosome segregation protein P8B7.28c, ZINC ION
Authors:He, C, Shi, Y, Bayne, E, Wu, J.
Deposit date:2012-06-22
Release date:2013-05-08
Last modified:2013-06-12
Method:SOLUTION NMR
Cite:Structural analysis of Stc1 provides insights into the coupling of RNAi and chromatin modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
4CVM
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BU of 4cvm by Molmil
PaMurF in complex with AMP-PNP and UDP-MurNAc-tripeptide (mDAP)
Descriptor: ALANINE, GAMMA-D-GLUTAMIC ACID, MAGNESIUM ION, ...
Authors:Ruane, K.M, Majce, V.
Deposit date:2014-03-28
Release date:2015-04-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Pamurf in Complex with AMP-Pnp and Udp-Murnac-Tripeptide
To be Published
4CVL
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BU of 4cvl by Molmil
PaMurF in complex with AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE
Authors:Ruane, K.M, Majce, V.
Deposit date:2014-03-28
Release date:2015-04-22
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Pamurf in Complex with AMP-Pnp
To be Published
4CVK
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BU of 4cvk by Molmil
PaMurF in complex with UDP-MurNAc-tripeptide (mDAP)
Descriptor: ALA-FGA-API, N-acetyl-alpha-muramic acid, UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase, ...
Authors:Ruane, K.M, Majce, V.
Deposit date:2014-03-28
Release date:2015-04-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Pamurf in Complex with Udp-Murnac-Tripeptide (Mdap)
To be Published
5GH9
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BU of 5gh9 by Molmil
Crystal structure of CBP Bromodomain with H3K56ac peptide
Descriptor: CREB-binding protein, Histone H3
Authors:Xu, L.
Deposit date:2016-06-19
Release date:2017-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
5H1U
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BU of 5h1u by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 2
Descriptor: 2-amino-1,3-benzothiazole-6-carboxamide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
Authors:Liu, J.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5H1T
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BU of 5h1t by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 1
Descriptor: DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ...
Authors:Liu, J.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5H1D
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BU of 5h1d by Molmil
Crystal structure of C-terminal of RhoGDI2
Descriptor: Rho GDP-dissociation inhibitor 2
Authors:Liu, J.
Deposit date:2016-10-08
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:NMR characterization of weak interactions between RhoGDI2 and fragment screening hits.
Biochim. Biophys. Acta, 1861, 2017
5H1V
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BU of 5h1v by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 6
Descriptor: 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
Authors:Liu, J.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
7CKG
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BU of 7ckg by Molmil
Crystal structure of TMSiPheRS complexed with TMSiPhe
Descriptor: 4-(trimethylsilyl)-L-phenylalanine, Tyrosine--tRNA ligase
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2020-07-17
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
7CKH
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BU of 7ckh by Molmil
Crystal structure of TMSiPheRS
Descriptor: Tyrosine--tRNA ligase
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2020-07-17
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79492676 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
7DV5
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BU of 7dv5 by Molmil
Human bile salt exporter ABCB11 in complex with taurocholate
Descriptor: Bile salt export pump, TAUROCHOLIC ACID
Authors:Wang, L, How, W.T, Chen, Y.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets.
Cell Res., 32, 2022
7E1A
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BU of 7e1a by Molmil
Human bile salt exporter ABCB11 in complex with taurocholate
Descriptor: Bile salt export pump, TAUROCHOLIC ACID
Authors:Wang, L, How, W.T, Chen, Y.
Deposit date:2021-02-01
Release date:2022-02-09
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets.
Cell Res., 32, 2022
7XC3
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BU of 7xc3 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M)
Descriptor: Papain-like protease nsp3
Authors:Li, J, Gao, J.
Deposit date:2022-03-22
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
Descriptor: Ran guanine nucleotide release factor
Authors:Hu, Q, Liu, Y, Bao, X, Liu, H.
Deposit date:2017-09-21
Release date:2017-11-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
6JKM
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BU of 6jkm by Molmil
Crystal structure of BubR1 kinase domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
Deposit date:2019-03-01
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
6JKK
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BU of 6jkk by Molmil
Crystal structure of BubR1 kinase domain
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1
Authors:Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
Deposit date:2019-03-01
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
6KRG
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BU of 6krg by Molmil
Crystal structure of sfGFP Y182TMSiPhe
Descriptor: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2019-08-21
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020

 

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