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3V8T
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BU of 3v8t by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3UAY
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BU of 3uay by Molmil
Crystal structure of Bacillus cereus adenosine phosphorylase D204N mutant complexed with adenosine
Descriptor: ADENOSINE, GLYCEROL, Purine nucleoside phosphorylase deoD-type, ...
Authors:Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
Deposit date:2011-10-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3UAW
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BU of 3uaw by Molmil
Crystal structure of adenosine phosphorylase from Bacillus cereus complexed with adenosine
Descriptor: ADENOSINE, GLYCEROL, Purine nucleoside phosphorylase deoD-type, ...
Authors:Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
Deposit date:2011-10-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3UAV
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BU of 3uav by Molmil
Crystal structure of adenosine phosphorylase from Bacillus cereus
Descriptor: GLYCEROL, Purine nucleoside phosphorylase deoD-type, SULFATE ION
Authors:Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
Deposit date:2011-10-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3UAX
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BU of 3uax by Molmil
Crystal structure of adenosine phosphorylase from Bacillus cereus complexed with inosine
Descriptor: GLYCEROL, INOSINE, Purine nucleoside phosphorylase deoD-type, ...
Authors:Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
Deposit date:2011-10-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3UTD
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BU of 3utd by Molmil
Ec_IspH in complex with 4-oxopentyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-25
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
4M85
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BU of 4m85 by Molmil
Crystal structure of N-acetyltransferase from Staphylococcus aureus Mu50
Descriptor: N-acetyltransferase
Authors:Srivastava, P, Khandokar, Y, Forwood, J.K.
Deposit date:2013-08-12
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expression,purification and X-ray crystallography of N-acetyltransferase from Staphylococcus aureus
To be Published
3VFE
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BU of 3vfe by Molmil
Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group
Descriptor: 4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide, Kallikrein-6
Authors:Chen, X, Zhang, Y, Xia, T, Wang, R.
Deposit date:2012-01-09
Release date:2012-11-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.
Acs Med.Chem.Lett., 3, 2012
3VF9
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BU of 3vf9 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027
Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2012-01-09
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3UAZ
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BU of 3uaz by Molmil
Crystal structure of Bacillus cereus adenosine phosphorylase D204N mutant complexed with inosine
Descriptor: GLYCEROL, INOSINE, Purine nucleoside phosphorylase deoD-type, ...
Authors:Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
Deposit date:2011-10-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3SMR
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BU of 3smr by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
3SMQ
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BU of 3smq by Molmil
Crystal structure of protein arginine methyltransferase 3
Descriptor: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
Authors:Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
3VN3
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BU of 3vn3 by Molmil
Fungal antifreeze protein exerts hyperactivity by constructing an inequable beta-helix
Descriptor: 1,2-ETHANEDIOL, Antifreeze protein
Authors:Kondo, H, Xiao, N, Hanada, Y, Sugimoto, H, Hoshino, T, Garnham, C.P, Davies, P.L, Tsuda, S.
Deposit date:2011-12-21
Release date:2012-06-06
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Ice-binding site of snow mold fungus antifreeze protein deviates from structural regularity and high conservation
Proc.Natl.Acad.Sci.USA, 109, 2012
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-11-21
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
7FEW
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BU of 7few by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin gold analogues
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cAMP-activated global transcriptional regulator Vfr
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
7FF0
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BU of 7ff0 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GOLD ION, SULFATE ION, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
6SR6
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BU of 6sr6 by Molmil
Crystal structure of the RAC core with a pseudo substrate bound to Ssz1 SBD
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative heat shock protein, ...
Authors:Valentin Gese, G, Lapouge, K, Kopp, J, Sinning, I.
Deposit date:2019-09-05
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The ribosome-associated complex RAC serves in a relay that directs nascent chains to Ssb.
Nat Commun, 11, 2020
8JD9
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BU of 8jd9 by Molmil
Cyro-EM structure of the Na+/H+ antipoter SOS1 from Arabidopsis thaliana,class1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Sodium/hydrogen exchanger 7
Authors:Yang, G.H, Zhang, Y.M, Zhou, J.Q, Jia, Y.T, Xu, X, Fu, P, Wu, H.Y.
Deposit date:2023-05-13
Release date:2023-11-08
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural basis for the activity regulation of Salt Overly Sensitive 1 in Arabidopsis salt tolerance.
Nat.Plants, 9, 2023
8JDA
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BU of 8jda by Molmil
Cyro-EM structure of the Na+/H+ antipoter SOS1 from Arabidopsis thaliana,class2
Descriptor: Sodium/hydrogen exchanger 7
Authors:Yang, G.H, Zhang, Y.M, Zhou, J.Q, Jia, Y.T, Xu, X, Fu, P, Wu, H.Y.
Deposit date:2023-05-13
Release date:2023-11-08
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis for the activity regulation of Salt Overly Sensitive 1 in Arabidopsis salt tolerance.
Nat.Plants, 9, 2023
6J2R
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BU of 6j2r by Molmil
Crystal structure of Striga hermonthica HTL8 (ShHTL8)
Descriptor: GLYCEROL, Hyposensitive to light 8
Authors:Zhang, Y.Y, Xi, Z.
Deposit date:2019-01-02
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure and biochemical characterization of Striga hermonthica HYPO-SENSITIVE TO LIGHT 8 (ShHTL8) in strigolactone signaling pathway.
Biochem.Biophys.Res.Commun., 523, 2020
7C83
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BU of 7c83 by Molmil
Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ren, R.B, Han, Y.F, Xiao, Q.J, Deng, D.
Deposit date:2020-05-28
Release date:2021-01-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism.
Nat Commun, 12, 2021
5X5O
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BU of 5x5o by Molmil
Crystal structure of ZAK in complex with compound D2829
Descriptor: Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
Authors:Dai, Y.B, Zhao, P, Yun, C.H.
Deposit date:2017-02-17
Release date:2017-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J. Med. Chem., 60, 2017
4G68
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BU of 4g68 by Molmil
Biochemical and structural insights into xylan utilization by the thermophilic bacteriumcaldanaerobius polysaccharolyticus
Descriptor: ABC transporter, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose
Authors:Agarwal, V, Nair, S.K.
Deposit date:2012-07-18
Release date:2012-08-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and Structural Insights into Xylan Utilization by the Thermophilic Bacterium Caldanaerobius polysaccharolyticus.
J.Biol.Chem., 287, 2012
4QQG
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BU of 4qqg by Molmil
Crystal structure of an N-terminal HTATIP fragment
Descriptor: Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and histone binding studies of the chromo barrel domain of TIP60.
FEBS Lett., 592, 2018
7OS4
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BU of 7os4 by Molmil
Crystal structure of mouse CARM1 in complex with histone H3_13-31 K18
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Histone H3.1, Histone-arginine methyltransferase CARM1
Authors:Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
Deposit date:2021-06-07
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural Studies Provide New Insights into the Role of Lysine Acetylation on Substrate Recognition by CARM1 and Inform the Design of Potent Peptidomimetic Inhibitors.
Chembiochem, 22, 2021

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數據於2024-06-26公開中

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