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5M6X
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BU of 5m6x by Molmil
Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2016-10-26
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
2WF7
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BU of 2wf7 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphonate and Aluminium tetrafluoride
Descriptor: 6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-04-03
Release date:2010-05-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
7C4Q
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BU of 7c4q by Molmil
Crystal structure of DBD plasma treated zebrafish TRF2 myb-domain complexed with DNA
Descriptor: DNA (5'-D(*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), ...
Authors:Jin, Z, Park, J.H, Yun, J.H, Park, S.Y, Lee, W.
Deposit date:2020-05-18
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of DBD plasma treated zebrafish TRF2 myb-domain complexed with DNA
To Be Published
5O6R
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BU of 5o6r by Molmil
Structure of beta-phosphoglucomutase D10N mutant in complex with glucose-1-phosphate and aluminium tetrafluoride
Descriptor: 1-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
Authors:Bowler, M.W.
Deposit date:2017-06-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5O6P
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BU of 5o6p by Molmil
Structure of beta-phosphoglucomutase D10N mutant in complex with glucose-1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Bowler, M.W.
Deposit date:2017-06-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OJZ
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BU of 5ojz by Molmil
D10N variant of beta-phosphoglucomutase from Lactococcus lactis inhibited by a beryllium triflouride phosphoenzyme analogue to 1.3A resolution.
Descriptor: 1,2-ETHANEDIOL, BERYLLIUM TRIFLUORIDE ION, Beta-phosphoglucomutase, ...
Authors:Robertson, A.J, Bisson, C.
Deposit date:2017-07-25
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OK0
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BU of 5ok0 by Molmil
Structure of the D10N mutant of beta-phosphoglucomutase from Lactococcus lactis trapped with native reaction intermediate beta-glucose 1,6-bisphosphate to 2.2A resolution.
Descriptor: 1,3-PROPANDIOL, 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ...
Authors:Robertson, A.J, Bisson, C.
Deposit date:2017-07-25
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OK2
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BU of 5ok2 by Molmil
Structure of the D10N mutant of beta-phosphoglucomutase from Lactococcus lactis inhibited with glucose 6-phosphate and tetrafluoroaluminate to 1.1A resolution.
Descriptor: 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ...
Authors:Robertson, A.J, Bisson, C.
Deposit date:2017-07-25
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OK1
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BU of 5ok1 by Molmil
D10N variant of beta-phosphoglucomutase from Lactococcus lactis trapped with native beta-glucose 1,6-bisphosphate intermediate to 1.9A resolution.
Descriptor: 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Robertson, A.J, Bisson, C.
Deposit date:2017-07-25
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
7VWY
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BU of 7vwy by Molmil
Cryo-EM structure of Rob-dependent transcription activation complex in a unique conformation
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Feng, Y.
Deposit date:2021-11-12
Release date:2022-06-08
Last modified:2023-06-07
Method:ELECTRON MICROSCOPY (4.57 Å)
Cite:Structural basis of transcription activation by Rob, a pleiotropic AraC/XylS family regulator.
Nucleic Acids Res., 50, 2022
7VWZ
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BU of 7vwz by Molmil
Cryo-EM structure of Rob-dependent transcription activation complex in a unique conformation
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Feng, Y, Shi, J.
Deposit date:2021-11-12
Release date:2022-06-08
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of transcription activation by Rob, a pleiotropic AraC/XylS family regulator.
Nucleic Acids Res., 50, 2022
6SMY
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BU of 6smy by Molmil
Crystal structure of SLA Reductase YihU from E. Coli with NADH and product DHPS
Descriptor: (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, 3-sulfolactaldehyde reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sharma, M, Davies, G.J.
Deposit date:2019-08-23
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase
Acs Catalysis, 2020
6SMZ
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BU of 6smz by Molmil
Crystal structure of SLA Reductase YihU from E. Coli in complex with NADH
Descriptor: 3-sulfolactaldehyde reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sharma, M, Davies, G.J.
Deposit date:2019-08-23
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase
Acs Catalysis, 2020
6SM7
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BU of 6sm7 by Molmil
Crystal structure of SLA Reductase YihU from E. Coli
Descriptor: 3-sulfolactaldehyde reductase, BORIC ACID
Authors:Sharma, M, Davies, G.J.
Deposit date:2019-08-21
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase
Acs Catalysis, 2020
6ZBW
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BU of 6zbw by Molmil
Structure of the D125N mutant of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol trisaccharide inhibitor
Descriptor: (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, Alpha-1,6-mannanase, ...
Authors:Davies, G.J, Offen, W.A.
Deposit date:2020-06-09
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases.
Chemistry, 27, 2021
6ZBM
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BU of 6zbm by Molmil
Structure of the D125N mutant of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol carbasugar-stabilised trisaccharide inhibitor
Descriptor: (1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, Alpha-1,6-mannanase, ...
Authors:Davies, G.J, Offen, W.A.
Deposit date:2020-06-08
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases.
Chemistry, 27, 2021
3A1U
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BU of 3a1u by Molmil
Crystal structue of the cytosolic domain of T. maritima FeoB iron iransporter in GMPPNP form
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Iron(II) transport protein B, MAGNESIUM ION, ...
Authors:Hattori, M, Ishitani, R, Nureki, O.
Deposit date:2009-04-22
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of novel interactions between the small-GTPase and GDI-like domains in prokaryotic FeoB iron transporter
Structure, 17, 2009
3A1S
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BU of 3a1s by Molmil
Crystal structue of the cytosolic domain of T. maritima FeoB iron iransporter in GDP form I
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Hattori, M, Ishitani, R, Nureki, O.
Deposit date:2009-04-22
Release date:2009-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of novel interactions between the small-GTPase and GDI-like domains in prokaryotic FeoB iron transporter
Structure, 17, 2009
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
Descriptor: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
Authors:Wang, C, Zhang, P, Dong, J.
Deposit date:2016-03-07
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
7F75
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BU of 7f75 by Molmil
Cryo-EM structure of Spx-dependent transcription activation complex
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Feng, Y, Shi, J.
Deposit date:2021-06-28
Release date:2021-10-13
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis of transcription activation by the global regulator Spx.
Nucleic Acids Res., 49, 2021
4DBW
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BU of 4dbw by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin
Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
Authors:Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M.
Deposit date:2012-01-16
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
J.Med.Chem., 56, 2013
7NE2
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BU of 7ne2 by Molmil
Crystal structure of class I SFP aldolase YihT from Salmonella enterica with SFP/ DHAP (Schiff base complex with active site Lys193)
Descriptor: (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid, Sulfofructosephosphate aldolase, [(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
Authors:Sharma, M, Davies, G.J.
Deposit date:2021-02-03
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
3GBW
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BU of 3gbw by Molmil
Crystal structure of the first PHR domain of the Mouse Myc-binding protein 2 (MYCBP-2)
Descriptor: E3 ubiquitin-protein ligase MYCBP2
Authors:Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Klemke, R.L, Miller, S.A, Bain, K.T, Rutter, M.E, Tarun, G, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-02-20
Release date:2009-03-24
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1.
J.Mol.Biol., 397, 2010
3HWJ
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BU of 3hwj by Molmil
Crystal structure of the second PHR domain of Mouse Myc-binding protein 2 (MYCBP-2)
Descriptor: DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase MYCBP2
Authors:Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Miller, S.A, Bain, K.T, Rutter, M.E, Gheyi, T, Klemke, R.L, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-06-17
Release date:2009-07-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1.
J.Mol.Biol., 397, 2010
5GWN
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BU of 5gwn by Molmil
Crystal structure of human RCC2
Descriptor: Protein RCC2, SULFATE ION
Authors:Liang, L, Yun, C.H, Yin, Y.X.
Deposit date:2016-09-12
Release date:2017-09-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.309 Å)
Cite:RCC2 is a novel p53 target in suppressing metastasis.
Oncogene, 37, 2018

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