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2LGC
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BU of 2lgc by Molmil
Joint NMR and X-ray refinement reveals the structure of a novel dibenzo[a,d]cycloheptenone inhibitor/p38 MAP kinase complex in solution
Descriptor: Mitogen-activated protein kinase 14
Authors:Habeck, M.
Deposit date:2011-07-25
Release date:2012-07-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inferential NMR/X-ray-based structure determination of a dibenzo[a,d]cycloheptenone inhibitor-p38alpha MAP kinase complex in solution
Angew.Chem.Int.Ed.Engl., 51, 2012
4QBO
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BU of 4qbo by Molmil
VRR_NUC domain
Descriptor: MAGNESIUM ION, Nuclease
Authors:Smerdon, S.J, Pennell, S, Li, J.
Deposit date:2014-05-08
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain.
Cell Rep, 8, 2014
4QHO
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BU of 4qho by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with CCO10
Descriptor: Alpha-ketoglutarate-dependent dioxygenase FTO, N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine, ZINC ION
Authors:Aik, W.S, Clunie-O'Connor, C, McDonough, M.A, Schofield, C.J.
Deposit date:2014-05-28
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
3TW1
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BU of 3tw1 by Molmil
Structure of Rtt106-AHN
Descriptor: GLYCEROL, Histone chaperone RTT106, N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE
Authors:Su, D, Thompson, J.R, Mer, G.
Deposit date:2011-09-21
Release date:2012-02-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Structural basis for recognition of H3K56-acetylated histone H3-H4 by the chaperone Rtt106.
Nature, 483, 2012
1ZN6
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BU of 1zn6 by Molmil
X-ray Crystal Structure of Protein Q7WLM8 from Bordetella bronchiseptica. Northeast Structural Genomics Consortium Target BoR19.
Descriptor: SULFATE ION, phage-related conserved hypothetical protein
Authors:Kuzin, A.P, Yong, W, Vorobiev, S.M, Xiao, R, Ma, L.-C, Acton, T, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-05-11
Release date:2005-05-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel structure of the hypothetical protein Q7WLM8 from Bordetella bronchiseptica. Northeast Structural Genomics Consortium target BoR19.
To be Published
4QNQ
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BU of 4qnq by Molmil
Crystal Structure Analysis of full-length Bcl-XL in complex with the inhibitor ABT-263
Descriptor: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Bcl-2-like protein 1
Authors:Korste, A, Vetter, I.R, Stoll, R.
Deposit date:2014-06-18
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure Analysis of full-length Bcl-XL in complex with the inhibitor ABT-263
TO BE PUBLISHED
4QKN
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BU of 4qkn by Molmil
Crystal structure of FTO bound to a selective inhibitor
Descriptor: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ...
Authors:Yang, C.-G, Huang, Y, Gan, J.
Deposit date:2014-06-07
Release date:2014-12-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5.
Nucleic Acids Res., 43, 2015
6RVV
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BU of 6rvv by Molmil
Structure of left-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges.
Descriptor: GOLD ION, Transcription attenuation protein MtrB
Authors:Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G.
Deposit date:2019-06-03
Release date:2019-06-12
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
4R4L
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BU of 4r4l by Molmil
Crystal structure of wt cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper
Descriptor: HEXANE-1,6-DIOL, SULFATE ION, cGMP-dependent protein kinase 1
Authors:Reger, A.S, Guo, E, Yang, M.P, Qin, L, Kim, C.
Deposit date:2014-08-19
Release date:2015-09-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability.
Biochemistry, 54, 2015
4R9T
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BU of 4r9t by Molmil
L-ficolin complexed to sulphates
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Laffly, E, Lacroix, M, Martin, L, Vassal-Stermann, E, Thielens, N, Gaboriaud, C.
Deposit date:2014-09-08
Release date:2014-11-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Human ficolin-2 recognition versatility extended: An update on the binding of ficolin-2 to sulfated/phosphated carbohydrates.
Febs Lett., 588, 2014
6RVW
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BU of 6rvw by Molmil
Structure of right-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges.
Descriptor: GOLD ION, Transcription attenuation protein MtrB
Authors:Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G.
Deposit date:2019-06-03
Release date:2019-06-12
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
4R7E
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BU of 4r7e by Molmil
Structure of Bre1 RING domain
Descriptor: E3 ubiquitin-protein ligase BRE1, ZINC ION
Authors:Kumar, P, Wolberger, C.
Deposit date:2014-08-27
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Structure of the yeast Bre1 RING domain.
Proteins, 83, 2015
7OJ4
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BU of 7oj4 by Molmil
Crystal structure of apo NS3 helicase from tick-borne encephalitis virus
Descriptor: NS3 helicase domain
Authors:Anindita, P.D, Havlickova, P, Kascakova, B, Grinkevich, P, Brynda, J, Franta, Z.
Deposit date:2021-05-13
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.828 Å)
Cite:Mechanistic insight into the RNA-stimulated ATPase activity of tick-borne encephalitis virus helicase.
J.Biol.Chem., 298, 2022
4IDU
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BU of 4idu by Molmil
crystal structure of Schmallenberg virus nucleoprotein
Descriptor: SBV nucleoprotein
Authors:Dong, H, Li, P, Elliott, R.M, Dong, C.
Deposit date:2012-12-13
Release date:2013-04-24
Last modified:2013-10-02
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Structure of Schmallenberg orthobunyavirus nucleoprotein suggests a novel mechanism of genome encapsidation
J.Virol., 87, 2013
8A4F
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BU of 8a4f by Molmil
Human Interleukin-4 mutant - C3T-IL4
Descriptor: Interleukin-4
Authors:Vaz, D.C, Rodrigues, J.R, Mueller, T.D, Sebald, W, Redfield, C, Brito, R.M.M.
Deposit date:2022-06-11
Release date:2023-10-18
Last modified:2024-01-17
Method:SOLUTION NMR
Cite:Lessons on protein structure from interleukin-4: All disulfides are not created equal.
Proteins, 92, 2024
6O5L
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BU of 6o5l by Molmil
Crystal structure of PprA filament from Deinococcus peraridilitoris
Descriptor: PprA
Authors:Szabla, R, Junop, M.S, Rok, M.
Deposit date:2019-03-04
Release date:2019-03-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of PprA filament from Deinococcus peraridilitoris
To Be Published
6OXB
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BU of 6oxb by Molmil
First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1)
Descriptor: CHLORIDE ION, Protein polybromo-1, SULFATE ION
Authors:Petojevic, T, Holliday, M.J, Fairbrother, W.J, Cochran, A.G.
Deposit date:2019-05-13
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Polyvalent nucleosome recognition by Polybromo-1 anchors chromatin remodeling
To Be Published
6OYB
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BU of 6oyb by Molmil
Crystal structure of H62G mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OYE
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BU of 6oye by Molmil
Crystal structure of Y99F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
4R4M
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BU of 4r4m by Molmil
Crystal structure of C42L cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper
Descriptor: SULFATE ION, cGMP-dependent protein kinase 1
Authors:Reger, A.S, Guo, E, Yang, M.P, Qin, L, Kim, C.
Deposit date:2014-08-19
Release date:2015-09-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability.
Biochemistry, 54, 2015
4J1X
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BU of 4j1x by Molmil
Crystal Structure of Fe(II)-HppE with alternative substrate (S)-1-HPP
Descriptor: Epoxidase, FE (II) ION, GLYCEROL, ...
Authors:Drennan, C.L, Dey, M.
Deposit date:2013-02-03
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanistic studies of an unprecedented enzyme-catalysed 1,2-phosphono-migration reaction.
Nature, 496, 2013
6ECL
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BU of 6ecl by Molmil
Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase
Descriptor: 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2018-08-08
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.385 Å)
Cite:Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase
To be published
4J1W
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BU of 4j1w by Molmil
Crystal Structure of Fe(II)-HppE with alternative substrate (R)-1-HPP
Descriptor: Epoxidase, FE (II) ION, GLYCEROL, ...
Authors:Drennan, C.L, Dey, M.
Deposit date:2013-02-03
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Mechanistic studies of an unprecedented enzyme-catalysed 1,2-phosphono-migration reaction.
Nature, 496, 2013
6OYG
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BU of 6oyg by Molmil
Crystal structure of H62F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OY8
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BU of 6oy8 by Molmil
Crystal structure of Y99G mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020

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數據於2024-09-11公開中

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