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5QIN
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BU of 5qin by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN IN COMPLEX WITH N- {4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2- YL]PYRIDIN-2-YL}ACETAMIDE
Descriptor: GLYCEROL, MAGNESIUM ION, N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, ...
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5QIM
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BU of 5qim by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(5-METHOXYPYRIDIN-2-YL)-1H-PYRROLO[3,2-B] PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
Descriptor: GLYCEROL, N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5QIL
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BU of 5qil by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
Descriptor: N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5QIK
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BU of 5qik by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
Descriptor: GLYCEROL, N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
6Q1F
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BU of 6q1f by Molmil
Atomic structure of the Human Herpesvirus 6B Capsid and Capsid-Associated Tegument Complexes
Descriptor: Large structural phosphoprotein, Major capsid protein, Small capsomere-interacting protein, ...
Authors:Zhang, Y.B, Liu, W, Li, Z.H, Kumar, V, Alvarez-Cabrera, A.L, Leibovitch, E, Cui, Y.X, Mei, Y, Bi, G.Q, Jacobson, S, Zhou, Z.H.
Deposit date:2019-08-03
Release date:2019-12-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Atomic structure of the human herpesvirus 6B capsid and capsid-associated tegument complexes.
Nat Commun, 10, 2019
3CC0
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BU of 3cc0 by Molmil
The Dvl2 PDZ Domain in Complex with the N3 Inhibitory Peptide
Descriptor: Dishevelled-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3CBX
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BU of 3cbx by Molmil
The Dvl2 PDZ Domain in Complex with the C1 Inhibitory Peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Dishevelled-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3CBY
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BU of 3cby by Molmil
The Dvl2 PDZ Domain in Complex with the N1 Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, Dishevelled-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3CBZ
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BU of 3cbz by Molmil
The Dvl2 PDZ Domain in Complex with the N2 Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, Dishevelled-2, PHOSPHATE ION
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
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
7OKP
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BU of 7okp by Molmil
Crystal structure of mouse CARM1 in complex with histone H3_13-22 K18 acetylated
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Histone H3.3, Histone-arginine methyltransferase CARM1, ...
Authors:Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
Deposit date:2021-05-18
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 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
8CZ9
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BU of 8cz9 by Molmil
Crystal Structure of the E372K LNK SH2 Domain mutant in Complex with a JAK2 pY813 Phosphopeptide
Descriptor: CHLORIDE ION, JAK2 pY813 phosphopeptide, SH2B adapter protein 3
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-05-24
Release date:2023-05-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rare SH2B3 coding variants in lupus patients impair B cell tolerance and predispose to autoimmunity.
J.Exp.Med., 221, 2024
5E1R
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BU of 5e1r by Molmil
Crystal structure of pecan (carya illinoinensis) vicilin, a new food allergen
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7S vicilin, COPPER (II) ION
Authors:Zhang, Y.Z.
Deposit date:2015-09-30
Release date:2016-08-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Identification and Characterization of a New Pecan [Carya illinoinensis (Wangenh.) K. Koch] Allergen, Car i 2.
J.Agric.Food Chem., 64, 2016
6XRQ
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BU of 6xrq by Molmil
Structural descriptions of ligand interactions to DNA and RNA quadruplexes folded from the non-coding region of Pseudorabies virus
Descriptor: 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, RNA (5' GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A-3')
Authors:Zhang, Y.S, Parkinson, G.N, Wei, D.G.
Deposit date:2020-07-13
Release date:2021-07-28
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Structural descriptions of ligand interactions to RNA quadruplexes folded from the non-coding region of Pseudorabies virus.
Biochimie, 2024
6GFM
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BU of 6gfm by Molmil
Crystal structure of the Escherichia coli nucleosidase PpnN (pppGpp-form)
Descriptor: Pyrimidine/purine nucleotide 5'-monophosphate nucleosidase, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
Authors:Zhang, Y, Baerentsen, R.L, Gerdes, K, Brodersen, D.E.
Deposit date:2018-05-01
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:(p)ppGpp Regulates a Bacterial Nucleosidase by an Allosteric Two-Domain Switch.
Mol.Cell, 74, 2019
6GFL
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BU of 6gfl by Molmil
Crystal structure of the Escherichia coli nucleosidase PpnN (apo form)
Descriptor: Pyrimidine/purine nucleotide 5'-monophosphate nucleosidase
Authors:Zhang, Y, Baerentsen, R.L, Gerdes, K, Brodersen, D.E.
Deposit date:2018-05-01
Release date:2019-04-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:(p)ppGpp Regulates a Bacterial Nucleosidase by an Allosteric Two-Domain Switch.
Mol.Cell, 74, 2019
4I6P
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BU of 4i6p by Molmil
Crystal structure of Par3-NTD domain
Descriptor: Partitioning defective 3 homolog
Authors:Wang, W, Gao, F, Gong, W, Sun, F, Feng, W.
Deposit date:2012-11-29
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the intrinsic self-assembly of par-3 N-terminal domain.
Structure, 21, 2013
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
3NFW
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BU of 3nfw by Molmil
Crystal structure of nitrilotriacetate monooxygenase component B (A0R521 homolog) from Mycobacterium thermoresistibile
Descriptor: Flavin reductase-like, FMN-binding protein, GLYCEROL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-06-10
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of nitrilotriacetate monooxygenase component B from Mycobacterium thermoresistibile.
Acta Crystallogr.,Sect.F, 67, 2011
4RZZ
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BU of 4rzz by Molmil
Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP in complex with phosphate
Descriptor: FE (III) ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Zhang, Y, Wang, P.
Deposit date:2014-12-27
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.
Mol.Microbiol., 98, 2015
4S00
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BU of 4s00 by Molmil
Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP mutant Y366A in complex with acrylate
Descriptor: ACRYLIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Zhang, Y, Wang, P.
Deposit date:2014-12-27
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.
Mol.Microbiol., 98, 2015
4RZY
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BU of 4rzy by Molmil
Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP in complex with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE (III) ION, Peptidase M24
Authors:Zhang, Y, Wang, P.
Deposit date:2014-12-26
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.
Mol.Microbiol., 98, 2015
4S01
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BU of 4s01 by Molmil
Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP mutant D377N in complex with acrylate
Descriptor: ACRYLIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Zhang, Y, Wang, P.
Deposit date:2014-12-27
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.
Mol.Microbiol., 98, 2015
4Z4P
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BU of 4z4p by Molmil
Structure of the MLL4 SET Domain
Descriptor: Histone-lysine N-methyltransferase 2D, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Zhang, Z, Mittal, A, Reid, J, Reich, S, Gamblin, S.J, Wilson, J.R.
Deposit date:2015-04-02
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evolving Catalytic Properties of the MLL Family SET Domain.
Structure, 23, 2015
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

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數據於2024-10-09公開中

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