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4EYU
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BU of 4eyu by Molmil
The free structure of the mouse C-terminal domain of KDM6B
Descriptor: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Cheng, Z.J, Patel, D.J.
Deposit date:2012-05-01
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
4CFL
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BU of 4cfl by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY303511
Descriptor: 1,2-ETHANEDIOL, 8-phenyl-2-piperazin-1-yl-chromen-4-one, BRD4 PROTEIN, ...
Authors:Chung, C, Dittmann, A, Drewes, G.
Deposit date:2013-11-18
Release date:2014-01-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains.
Acs Chem.Biol., 9, 2014
4EZ4
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BU of 4ez4 by Molmil
free KDM6B structure
Descriptor: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Cheng, Z.J, Patel, D.J.
Deposit date:2012-05-02
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
4CFK
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BU of 4cfk by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002
Descriptor: 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, BRD4 PROTEIN, ...
Authors:Chung, C, Dittmann, A, Drewes, G.
Deposit date:2013-11-18
Release date:2014-01-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains.
Acs Chem.Biol., 9, 2014
2PI6
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BU of 2pi6 by Molmil
Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Chitinase-3-like protein 1, ETHANOL, ...
Authors:Sharma, P, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P.
Deposit date:2007-04-13
Release date:2007-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Tryptophan as a three-way switch in regulating the function of the secretory signalling glycoprotein (SPS-40) from mammary glands: structure of SPS-40 complexed with 2-methylpentane-2,4-diol at 1.6 A resolution.
Acta Crystallogr.,Sect.D, 65, 2009
353D
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BU of 353d by Molmil
CRYSTAL STRUCTURE OF DOMAIN A OF THERMUS FLAVUS 5S RRNA AND THE CONTRIBUTION OF WATER MOLECULES TO ITS STRUCTURE
Descriptor: RNA (5'-R(*AP*UP*CP*CP*CP*CP*CP*GP*UP*GP*CP*C)-3'), RNA (5'-R(*GP*GP*UP*GP*CP*GP*GP*GP*GP*GP*AP*U)-3')
Authors:Betzel, C, Lorenz, S, Furste, J.P, Bald, R, Zhang, M, Schneider, T.R, Wilson, K.S, Erdmann, V.A.
Deposit date:1997-09-29
Release date:1997-11-10
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of domain A of Thermus flavus 5S rRNA and the contribution of water molecules to its structure.
FEBS Lett., 351, 1994
4EZH
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BU of 4ezh by Molmil
the crystal structure of KDM6B bound with H3K27me3 peptide
Descriptor: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Cheng, Z.J, Patel, D.J.
Deposit date:2012-05-02
Release date:2012-08-08
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
2XUE
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BU of 2xue by Molmil
CRYSTAL STRUCTURE OF JMJD3
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
Authors:Chung, C, Rowland, P, Mosley, J, Thomas, P.J.
Deposit date:2010-10-19
Release date:2011-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
6G5S
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BU of 6g5s by Molmil
Solution structure of the TPR domain of the cell division coordinator, CpoB
Descriptor: Cell division coordinator CpoB
Authors:Simorre, J.P, Maya Martinez, R.C, Bougault, C, Vollmer, W, Egan, A.
Deposit date:2018-03-29
Release date:2018-08-08
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
6FZK
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BU of 6fzk by Molmil
NMR structure of UB2H, regulatory domain of PBP1b from E. coli
Descriptor: Penicillin-binding protein 1B
Authors:Simorre, J.P, Maya Martinez, R.C, Bougault, C, Egan, A.J.F, Vollmer, W.
Deposit date:2018-03-15
Release date:2019-02-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
4NY3
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BU of 4ny3 by Molmil
Human PTPA in complex with peptide
Descriptor: GLYCEROL, SULFATE ION, Serine/threonine-protein phosphatase 2A activator, ...
Authors:Loew, C, Quistgaard, E.M, Nordlund, P.
Deposit date:2013-12-10
Release date:2014-07-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Structural basis for PTPA interaction with the invariant C-terminal tail of PP2A.
Biol.Chem., 395, 2014
6SAR
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BU of 6sar by Molmil
E coli BepA/YfgC
Descriptor: Beta-barrel assembly-enhancing protease, SULFATE ION, ZINC ION
Authors:Lovering, A.L, Cadby, I.T.
Deposit date:2019-07-17
Release date:2020-08-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-Function Characterization of the Conserved Regulatory Mechanism of the Escherichia coli M48 Metalloprotease BepA.
J.Bacteriol., 203, 2020
7P6V
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BU of 7p6v by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag
Descriptor: Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate
Authors:Chung, C.
Deposit date:2021-07-18
Release date:2021-10-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
7P6Y
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BU of 7p6y by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 5ef
Descriptor: 4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2021-07-18
Release date:2021-10-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
7P6W
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BU of 7p6w by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3bg
Descriptor: Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate
Authors:Chung, C.
Deposit date:2021-07-18
Release date:2021-10-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
7PJF
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BU of 7pjf by Molmil
Inhibiting parasite proliferation using a rationally designed anti-tubulin agent
Descriptor: Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O.
Deposit date:2021-08-24
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
7PJE
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BU of 7pje by Molmil
Inhibiting parasite proliferation using a rationally designed anti-tubulin agent
Descriptor: Darpin D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O.
Deposit date:2021-08-24
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
4XTQ
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BU of 4xtq by Molmil
Crystal structure of a mutant (C20S) of a near-infrared fluorescent protein BphP1-FP
Descriptor: 3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, BphP1-FP/C20S, CHLORIDE ION
Authors:Pletnev, S, Malashkevich, V.N.
Deposit date:2015-01-23
Release date:2015-12-09
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Molecular Basis of Spectral Diversity in Near-Infrared Phytochrome-Based Fluorescent Proteins.
Chem.Biol., 22, 2015
1L3P
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BU of 1l3p by Molmil
CRYSTAL STRUCTURE OF THE FUNCTIONAL DOMAIN OF THE MAJOR GRASS POLLEN ALLERGEN Phl p 5b
Descriptor: MAGNESIUM ION, PHOSPHATE ION, POLLEN ALLERGEN Phl p 5b
Authors:Rajashankar, K.R, Bufe, A, Weber, W, Eschenburg, S, Lindner, B, Betzel, C.
Deposit date:2002-02-28
Release date:2003-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the functional domain of the major grass-pollen allergen Phlp 5b.
Acta Crystallogr.,Sect.D, 58, 2002
6J42
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BU of 6j42 by Molmil
Crystal Structure of Wild Type KatB, a manganese catalase from Anabaena
Descriptor: Alr3090 protein, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Bihani, S.C, Chakravarty, D, Ballal, A.
Deposit date:2019-01-07
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.492 Å)
Cite:Novel molecular insights into the anti-oxidative stress response and structure-function of a salt-inducible cyanobacterial Mn-catalase.
Plant Cell Environ, 42, 2019
2NUV
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BU of 2nuv by Molmil
Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution
Descriptor: 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ...
Authors:Mir, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2006-11-10
Release date:2006-12-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution
To be Published
1LDG
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BU of 1ldg by Molmil
PLASMODIUM FALCIPARUM L-LACTATE DEHYDROGENASE COMPLEXED WITH NADH AND OXAMATE
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE, OXAMIC ACID
Authors:Dunn, C, Banfield, M, Barker, J, Higham, C, Moreton, K, Turgut-Balik, D, Brady, L, Holbrook, J.J.
Deposit date:1996-09-10
Release date:1997-09-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The structure of lactate dehydrogenase from Plasmodium falciparum reveals a new target for anti-malarial design.
Nat.Struct.Biol., 3, 1996
7LSD
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BU of 7lsd by Molmil
Crystal structure of near-infrared fluorescent protein miRFP718nano
Descriptor: BILIVERDINE IX ALPHA, miRFP718nano
Authors:Pletnev, S.
Deposit date:2021-02-18
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational design of a small near-infrared fluorescent protein from CBCR suitable for deep-tissue SWIR imaging.
To Be Published
5LLI
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BU of 5lli by Molmil
pVHL:EloB:EloC in complex with VH298
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A.
Deposit date:2016-07-27
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent and selective chemical probe of hypoxic signalling downstream of HIF-alpha hydroxylation via VHL inhibition.
Nat Commun, 7, 2016
8RI9
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BU of 8ri9 by Molmil
Late alpha-Synuclein fibril structure from liquid-liquid phase separations.
Descriptor: Alpha-synuclein
Authors:De Simone, A, Barritt, J.D, Chen, S, Cascella, R, Cecchi, C, Bigi, A, Jarvis, J.A, Chiti, F, Dobson, C.M, Fusco, G.
Deposit date:2023-12-18
Release date:2024-03-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-Toxicity Relationship in Intermediate Fibrils from alpha-Synuclein Condensates.
J.Am.Chem.Soc., 146, 2024

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数据于2024-07-24公开中

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