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6SH8
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BU of 6sh8 by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 2, in the presence of ssDNA
分子名称: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
著者Sofos, N, Montoya, G, Stella, S.
登録日2019-08-06
公開日2020-07-08
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
5GXH
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BU of 5gxh by Molmil
The structure of the Gemin5 WD40 domain with AAUUUUUG
分子名称: GLYCEROL, Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*G)-3'), ...
著者Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-09-17
公開日2016-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
7EPZ
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BU of 7epz by Molmil
Overall structure of Erastin-bound xCT-4F2hc complex
分子名称: 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q.
登録日2021-04-28
公開日2022-04-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
5GXI
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BU of 5gxi by Molmil
Structure of the Gemin5 WD40 domain in complex with AAUUUUUGAG
分子名称: Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*GP*AP*G)-3'), UNKNOWN ATOM OR ION
著者Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-09-18
公開日2016-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
8ITE
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BU of 8ite by Molmil
Crystal structure of pE301R from African swine fever virus
分子名称: Uncharacterized protein E301R
著者Zhang, H, Li, Y.H.
登録日2023-03-22
公開日2023-09-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The E301R protein of African swine fever virus functions as a sliding clamp involved in viral genome replication.
Mbio, 14, 2023
6UD2
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BU of 6ud2 by Molmil
co-crystal structure of compound 1 bound to human Mcl-1
分子名称: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X, Whittington, D.
登録日2019-09-18
公開日2019-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDI
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BU of 6udi by Molmil
X-ray co-crystal structure of compound 20 with Mcl-1
分子名称: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X, Whittington, D.
登録日2019-09-19
公開日2019-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
5DDV
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BU of 5ddv by Molmil
Crystal structure of IspD from Bacillus subtilis at 2.30 Angstroms resolution, crystal form II
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2015-08-25
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
6UDY
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BU of 6udy by Molmil
X-ray co-crystal structure of compound 5 with Mcl-1
分子名称: (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-09-19
公開日2019-12-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
5DDT
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BU of 5ddt by Molmil
Crystal structure of IspD from Bacillus subtilis at 1.80 Angstroms resolution, crystal form I
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2015-08-25
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
6UDX
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BU of 6udx by Molmil
X-ray co-crystal structure of compound 7 with Mcl-1
分子名称: (2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-09-19
公開日2019-12-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
1VM3
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BU of 1vm3 by Molmil
Solution structure of a membrane-targeting peptide designed based on the N-terminal sequence of E. coli enzyme IIA (Glucose)
分子名称: peptide A3
著者Wang, G, Li, X.
登録日2004-08-31
公開日2004-12-07
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
1VM2
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BU of 1vm2 by Molmil
Solution structure of an anticancer peptide designed based on the N-terminal sequence of E. coli enzyme IIA (Glucose)
分子名称: peptide A2
著者Wang, G, Li, X.
登録日2004-08-31
公開日2004-12-07
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
1VM4
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BU of 1vm4 by Molmil
Solution structure of an antibacterial and antitumor peptide designed based on the N-terminal membrane anchor of E. coli enzyme IIA (Glucose)
分子名称: peptide A4
著者Wang, G, Li, X.
登録日2004-08-31
公開日2004-12-07
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
6UDT
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BU of 6udt by Molmil
X-ray co-crystal structure of compound 10 bound to human Mcl-1
分子名称: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X, Whittington, D.
登録日2019-09-19
公開日2019-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDU
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BU of 6udu by Molmil
X-ray co-crystal structure of compound 8 bound to human Mcl-1
分子名称: (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X, Whittington, D.
登録日2019-09-19
公開日2019-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDV
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BU of 6udv by Molmil
X-ray co-crystal structure of compound 3 bound to human Mcl-1
分子名称: (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X, Whittington, D.
登録日2019-09-19
公開日2019-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
1VM5
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BU of 1vm5 by Molmil
Solution structure of micelle-bound aurein 1.2, an antimicrobial and anticancer peptide from an Australian frog
分子名称: peptide A5 or aurein 1.2
著者Wang, G, Li, X.
登録日2004-08-31
公開日2004-12-07
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
4TXP
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BU of 4txp by Molmil
Crystal structure of LIP5 N-terminal domain
分子名称: Vacuolar protein sorting-associated protein VTA1 homolog
著者Vild, C.J, Xu, Z.
登録日2014-07-04
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
4UMX
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BU of 4umx by Molmil
IDH1 R132H in complex with cpd 1
分子名称: 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ...
著者Mathieu, M, Marquette, J.P.
登録日2014-05-22
公開日2014-11-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
6SHB
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BU of 6shb by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 1, in the presence of ssDNA
分子名称: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
著者Sofos, N, Montoya, G, Stella, S.
登録日2019-08-06
公開日2020-07-08
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
4TXR
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BU of 4txr by Molmil
Crystal structure of LIP5 N-terminal domain complexed with CHMP1B MIM and CHMP5 MIM
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Charged multivesicular body protein 1b, ...
著者Vild, C.J, Xu, Z.
登録日2014-07-04
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
4TXQ
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BU of 4txq by Molmil
Crystal structure of LIP5 N-terminal domain complexed with CHMP1B MIM
分子名称: Charged multivesicular body protein 1b, Vacuolar protein sorting-associated protein VTA1 homolog
著者Vild, C.J, Xu, Z.
登録日2014-07-04
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
3EFH
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BU of 3efh by Molmil
Crystal structure of human phosphoribosyl pyrophosphate synthetase 1
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Li, X, Peng, X, Li, Y.
登録日2008-09-08
公開日2008-09-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human phosphoribosyl pyrophosphate synthetase 1
To be Published
4Y7K
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Structure of an archaeal mechanosensitive channel in closed state
分子名称: Large conductance mechanosensitive channel protein,Riboflavin synthase
著者Li, J, Liu, Z.
登録日2015-02-15
公開日2015-08-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Mechanical coupling of the multiple structural elements of the large-conductance mechanosensitive channel during expansion
Proc.Natl.Acad.Sci.USA, 112, 2015

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