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5TLW
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Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 1-phosphate-benzene 4-bisphosphonate
Descriptor: Fructose-bisphosphate aldolase A, GLYCEROL, {[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)
Authors:Heron, P.W, Sygusch, J.
Deposit date:2016-10-12
Release date:2017-10-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Bisphosphonate Inhibitors of Mammalian Glycolytic Aldolase.
J.Med.Chem., 61, 2018
5TEG
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BU of 5teg by Molmil
Crystal structure of hSETD8 in complex with histone H4K20 norleucine mutant peptide and S-Adenosylmethionine
Descriptor: Histone H4 mutant peptide with H4K20norleucine, N-lysine methyltransferase KMT5A, S-ADENOSYLMETHIONINE
Authors:Judge, R.A, Petros, A.M.
Deposit date:2016-09-21
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.
ACS Med Chem Lett, 7, 2016
4Z3A
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BU of 4z3a by Molmil
Acetate-free structure of the enzyme-product complex resulting from TDG action on a GU mismatch
Descriptor: DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase
Authors:Pozharski, E, Malik, S.S, Drohat, A.C.
Deposit date:2015-03-31
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
8EJM
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BU of 8ejm by Molmil
Crystal structure of human DEAH-box helicase DHX15 in complex with SUGP1 G-patch
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DHX15, CHLORIDE ION, ...
Authors:Huang, J, Tong, L.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
8EHG
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BU of 8ehg by Molmil
Rabbit muscle aldolase determined using single-particle cryo-EM with Apollo camera.
Descriptor: Fructose-bisphosphate aldolase A
Authors:Peng, R, Fu, X, Mendez, J.H, Randolph, P.H, Bammes, B, Stagg, S.M.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.24 Å)
Cite:Characterizing the resolution and throughput of the Apollo direct electron detector.
J Struct Biol X, 7, 2023
5TI5
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BU of 5ti5 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841880
Descriptor: 1,2-ETHANEDIOL, 3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4
Authors:Zhu, J.-Y, Ember, S.W.J, Schonbrunn, E.
Deposit date:2016-10-01
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
4Z7Z
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BU of 4z7z by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GT mismatch in the presence of excess base
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ...
Authors:Pozharski, E, Malik, S.S, Drohat, A.C.
Deposit date:2015-04-08
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
4Z96
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BU of 4z96 by Molmil
Crystal structure of DNMT1 in complex with USP7
Descriptor: DNA (cytosine-5)-methyltransferase 1, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Zhang, Z.M, Song, J.
Deposit date:2015-04-09
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of DNMT1 in complex with USP7
To Be Published
5TIJ
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BU of 5tij by Molmil
Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer)
Descriptor: ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION
Authors:Leonard, P.G, Muller, F.L.
Deposit date:2016-10-03
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.634 Å)
Cite:Eradication of ENO1-deleted Glioblastoma through Collateral Lethality
Biorxiv, 2019
5TI4
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BU of 5ti4 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841871
Descriptor: 1,2-ETHANEDIOL, 3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4
Authors:Zhu, J.-Y, Ember, S.W.J, SCHONBRUNN, E.
Deposit date:2016-09-30
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
4ZA0
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BU of 4za0 by Molmil
Structure of Human Enolase 2 in complex with Phosphonoacetohydroxamate
Descriptor: Gamma-enolase, MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID
Authors:Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L.
Deposit date:2015-04-13
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
5VTB
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BU of 5vtb by Molmil
Crystal structure of RBBP4 bound to BCL11a peptide
Descriptor: B-cell lymphoma/leukemia 11A, GLYCEROL, Histone-binding protein RBBP4
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2017-05-16
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the interaction between the histone methyltransferase/deacetylase subunit RBBP4/7 and the transcription factor BCL11A in epigenetic complexes.
J. Biol. Chem., 293, 2018
4Z49
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BU of 4z49 by Molmil
Homo Sapiens Fatty Acid Synthetase, Thioesterase Domain at 1.7 Angstroms Resolution
Descriptor: Fatty acid synthase, POTASSIUM ION
Authors:Spraggon, G.
Deposit date:2015-04-01
Release date:2016-03-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Estimation of Hydrogen-Exchange Protection Factors from MD Simulation Based on Amide Hydrogen Bonding Analysis.
J.Chem.Inf.Model., 55, 2015
5UWR
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BU of 5uwr by Molmil
Crystal Structure of CDC7 NES Peptide (extended) in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, Cell division cycle 7-related protein kinase, Exportin-1, ...
Authors:Fung, H.Y.J, Chook, Y.M.
Deposit date:2017-02-21
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Nuclear export receptor CRM1 recognizes diverse conformations in nuclear export signals.
Elife, 6, 2017
5UPD
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BU of 5upd by Molmil
Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1)
Descriptor: Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION, ...
Authors:Tempel, W, Yu, W, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2017-02-02
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1)
To Be Published
4Z7B
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BU of 4z7b by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GfC mismatch
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ...
Authors:Pozharski, E, Malik, S.S, Drohat, A.C.
Deposit date:2015-04-07
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
5VOM
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BU of 5vom by Molmil
Benzopiperazine BET bromodomain inhibitor in complex with BD1 of Brd4
Descriptor: 3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide, Bromodomain-containing protein 4
Authors:Toms, A.V, Herbertz, T.
Deposit date:2017-05-03
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Design and Optimization of Benzopiperazines as Potent Inhibitors of BET Bromodomains.
ACS Med Chem Lett, 8, 2017
5T2W
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BU of 5t2w by Molmil
Structure of thymine DNA glycosylase bound to substrate analog 2'-F-5-formyl-dC
Descriptor: DNA (27-MER), DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase
Authors:Pidugu, L.S, Pozharski, E, Drohat, A.C.
Deposit date:2016-08-24
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Excision of 5-Formylcytosine by Thymine DNA Glycosylase.
Biochemistry, 55, 2016
5VY5
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BU of 5vy5 by Molmil
Rabbit muscle aldolase using 200keV
Descriptor: Fructose-bisphosphate aldolase A
Authors:Herzik Jr, M.A, Wu, M, Lander, G.C.
Deposit date:2017-05-24
Release date:2017-06-14
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Achieving better-than-3- angstrom resolution by single-particle cryo-EM at 200 keV.
Nat. Methods, 14, 2017
5VZS
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BU of 5vzs by Molmil
BRD4-BD1 in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)
Descriptor: 1,2-ETHANEDIOL, 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, Bromodomain-containing protein 4
Authors:Murray, J.M.
Deposit date:2017-05-29
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of CBP/P300
To be published
3I7O
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BU of 3i7o by Molmil
Crystal Structure of DDB1 in Complex with the H-Box Motif of IQWD1
Descriptor: DNA damage-binding protein 1, IQ motif and WD repeat-containing protein 1
Authors:Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N.
Deposit date:2009-07-08
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
3IHI
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BU of 3ihi by Molmil
Crystal structure of mouse thymidylate synthase
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W.R, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W.
Deposit date:2009-07-30
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
3I7N
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BU of 3i7n by Molmil
Crystal Structure of DDB1 in Complex with the H-Box Motif of WDTC1
Descriptor: DNA damage-binding protein 1, WD and tetratricopeptide repeats protein 1
Authors:Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N.
Deposit date:2009-07-08
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
1ADO
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BU of 1ado by Molmil
FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE FROM RABBIT MUSCLE
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, ALDOLASE, SULFATE ION
Authors:Blom, N.S, Sygusch, J.
Deposit date:1996-12-02
Release date:1997-12-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Product binding and role of the C-terminal region in class I D-fructose 1,6-bisphosphate aldolase.
Nat.Struct.Biol., 4, 1997
3QWZ
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BU of 3qwz by Molmil
Crystal structure of FAF1 UBX-p97N-domain complex
Descriptor: FAS-associated factor 1, Transitional endoplasmic reticulum ATPase
Authors:Park, J.K, Jeon, H, Lee, J.J, Kim, K.H, Lee, K.J, Kim, E.E.
Deposit date:2011-02-28
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dissection of the interaction between FAF1 UBX and p97
To be Published

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