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6URG
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BU of 6urg by Molmil
Cryo-EM structure of human CPSF160-WDR33-CPSF30-CPSF100 PIM complex
Descriptor: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 2, Cleavage and polyadenylation specificity factor subunit 4, ...
Authors:Sun, Y, Zhang, Y, Walz, T, Tong, L.
Deposit date:2019-10-23
Release date:2019-11-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Insights into the Human Pre-mRNA 3'-End Processing Machinery.
Mol.Cell, 77, 2020
6URO
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BU of 6uro by Molmil
Cryo-EM structure of human CPSF160-WDR33-CPSF30-PAS RNA-CstF77 complex
Descriptor: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, Cleavage stimulation factor subunit 3, ...
Authors:Sun, Y, Zhang, Y, Walz, T, Tong, L.
Deposit date:2019-10-23
Release date:2019-11-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Insights into the Human Pre-mRNA 3'-End Processing Machinery.
Mol.Cell, 77, 2020
4H6P
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BU of 4h6p by Molmil
Crystal structure of a putative chromate reductase from Gluconacetobacter hansenii, Gh-ChrR, containing a R101A substitution.
Descriptor: Chromate reductase, FLAVIN MONONUCLEOTIDE
Authors:Zhang, Y, Robinson, H, Buchko, G.W.
Deposit date:2012-09-19
Release date:2012-10-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.556 Å)
Cite:Mechanistic insights of chromate and uranyl reduction by the NADPH-dependent FMN reductase, ChrR, from Gluconacetobacter hansenii
To be Published
4HS4
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BU of 4hs4 by Molmil
Crystal structure of a putative chromate reductase from Gluconacetobacter hansenii, Gh-ChrR, containing a Y129N substitution.
Descriptor: Chromate reductase, FLAVIN MONONUCLEOTIDE
Authors:Zhang, Y, Robinson, H, Buchko, G.W.
Deposit date:2012-10-29
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanistic insights of chromate and uranyl reduction by the NADPH-dependent FMN reductase, ChrR, from Gluconacetobacter hansenii
To be Published
8VQ4
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BU of 8vq4 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
Descriptor: (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
8VQ3
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BU of 8vq3 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
Descriptor: (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
5E17
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BU of 5e17 by Molmil
T. thermophilus transcription initiation complex having a RRR discriminator sequence and a nontemplate-strand length corresponding to TSS selection at position 7 (RPo-GGG-7)
Descriptor: DNA (27-MER), DNA (5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Zhang, Y, Ebright, R.H.
Deposit date:2015-09-29
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Multiplexed protein-DNA cross-linking: Scrunching in transcription start site selection.
Science, 351, 2016
5E18
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BU of 5e18 by Molmil
T. thermophilus transcription initiation complex having a YYY discriminator sequence and a nontemplate-strand length corresponding to TSS selection at position 8 (RPo-CCC-8)
Descriptor: DNA (28-MER), DNA (5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Zhang, Y, Ebright, R.H.
Deposit date:2015-09-29
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Multiplexed protein-DNA cross-linking: Scrunching in transcription start site selection.
Science, 351, 2016
6N33
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BU of 6n33 by Molmil
Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622
Descriptor: 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
Authors:Zhang, Y.
Deposit date:2018-11-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model.
Nat Commun, 10, 2019
5WAN
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BU of 5wan by Molmil
Crystal Structure of a flavoenzyme RutA in the pyrimidine catabolic pathway
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Pyrimidine monooxygenase RutA, ...
Authors:Zhang, Y, Mukherjee, T, Abdelwahed, S, Begley, T.P, Ealick, S.E.
Deposit date:2017-06-26
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Catalysis of a flavoenzyme-mediated amide hydrolysis.
J. Am. Chem. Soc., 132, 2010
5X21
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BU of 5x21 by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex with GpA and pseudouridimycin (PUM)
Descriptor: (1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zhang, Y, Ebright, R.
Deposit date:2017-01-29
Release date:2017-07-05
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (3.323 Å)
Cite:Antibacterial Nucleoside-Analog Inhibitor of Bacterial RNA Polymerase.
Cell, 169, 2017
5X22
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BU of 5x22 by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex with GpA and CMPcPP
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zhang, Y, Ebright, R.
Deposit date:2017-01-29
Release date:2017-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Antibacterial Nucleoside-Analog Inhibitor of Bacterial RNA Polymerase.
Cell, 169, 2017
5WVM
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BU of 5wvm by Molmil
Crystal structure of baeS cocrystallized with 2 mM indole
Descriptor: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
Authors:Wang, W, Zhang, Y, Rang, T, Xu, D.
Deposit date:2016-12-26
Release date:2018-01-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
5WVN
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BU of 5wvn by Molmil
Crystal structure of MBS-BaeS fusion protein
Descriptor: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
Authors:Wang, W, Zhang, Y, Ran, T, Xu, D.
Deposit date:2016-12-26
Release date:2018-01-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
5DX4
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BU of 5dx4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
Deposit date:2015-09-23
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
7Q83
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BU of 7q83 by Molmil
Crystal structure of S. cerevisiae Sso2 in complex with the pleckstrin homology domain of Sec3
Descriptor: Exocyst complex component SEC3, Protein SSO2
Authors:Zhang, Y, Dong, G.
Deposit date:2021-11-09
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Double NPY motifs at the N-terminus of the yeast t-SNARE Sso2 synergistically bind Sec3 to promote membrane fusion.
Elife, 11, 2022
6O1E
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BU of 6o1e by Molmil
The crystal structure of human MORC3 ATPase-CW in complex with AMPPNP
Descriptor: MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Klein, B.J, Zhang, Y, Kutateladze, T.G.
Deposit date:2019-02-19
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Mechanism for autoinhibition and activation of the MORC3 ATPase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6O5W
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BU of 6o5w by Molmil
Crystal structure of MORC3 CW domain fused with viral influenza A NS1 peptide
Descriptor: NS1-linked peptide,MORC family CW-type zinc finger protein 3, ZINC ION
Authors:Ahn, J, Zhang, Y, Vann, K.R, Kutateleadze, T.
Deposit date:2019-03-04
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.412 Å)
Cite:MORC3 Is a Target of the Influenza A Viral Protein NS1.
Structure, 27, 2019
8E4V
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BU of 8e4v by Molmil
Solution structure of the WH domain of MORF
Descriptor: Isoform 3 of Histone acetyltransferase KAT6B
Authors:Zhang, Y, Kutateladze, T.G.
Deposit date:2022-08-19
Release date:2023-05-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:MORF and MOZ acetyltransferases target unmethylated CpG islands through the winged helix domain.
Nat Commun, 14, 2023
6P79
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BU of 6p79 by Molmil
Engineered single chain antibody C9+C14 ScFv
Descriptor: Engineered antibody heavy chain, Engineered antibody light chain
Authors:Zhang, Y, Li, W, Marshall, N.
Deposit date:2019-06-05
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.583 Å)
Cite:Computer-based Engineering of Thermostabilized Antibody Fragments.
Aiche J, 66, 2020
5D4E
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BU of 5d4e by Molmil
Crystal structure of Thermus thermophilus product complex for transcription initiation with 3'-dephosphate-CoA and CTP
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, DEPHOSPHO COENZYME A, DIPHOSPHATE, ...
Authors:Zhang, Y, Ebright, R.H.
Deposit date:2015-08-07
Release date:2016-07-06
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:The mechanism of RNA 5' capping with NAD(+), NADH and desphospho-CoA.
Nature, 535, 2016
6C00
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BU of 6c00 by Molmil
Solution structure of translation initiation factor 1 from Clostridium difficile
Descriptor: Translation initiation factor IF-1
Authors:Zhang, Y, Aguilar, F.
Deposit date:2017-12-26
Release date:2019-01-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H,13C and15N resonance assignments and structure prediction of translation initiation factor 1 from Clostridium difficile.
Biomol.Nmr Assign., 13, 2019
2N78
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BU of 2n78 by Molmil
NMR structure of IF1 from Pseudomonas aeruginosa
Descriptor: Translation initiation factor IF-1
Authors:Zhang, Y.
Deposit date:2015-09-04
Release date:2016-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:(1)H, (13)C and (15)N resonance assignments and secondary structure analysis of translation initiation factor 1 from Pseudomonas aeruginosa.
Biomol.Nmr Assign., 10, 2016
7T1F
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BU of 7t1f by Molmil
Crystal structure of GDP-bound T50I mutant of human KRAS4B
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
Authors:Zhang, Y, Zhang, C.
Deposit date:2021-12-01
Release date:2022-12-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation.
JCI Insight, 8, 2023
8GUG
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BU of 8gug by Molmil
Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus
Descriptor: DUF2384 domain-containing protein, RES domain-containing protein
Authors:Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z.
Deposit date:2022-09-12
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus.
Int.J.Biol.Macromol., 242, 2023

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