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6C50
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BU of 6c50 by Molmil
Cross-alpha Amyloid-like Structure alphaAmS
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmS, FORMIC ACID
著者Liu, L, Zhang, S.Q.
登録日2018-01-13
公開日2018-08-15
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6BLR
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BU of 6blr by Molmil
Crystal Structure of IAg7 in complex with insulin mimotope p8E9E6SS
分子名称: 1,2-ETHANEDIOL, H2-Ab1 protein, IAg7 alpha chain
著者Wang, Y, Dai, S.
登録日2017-11-11
公開日2017-12-20
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6C4Z
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BU of 6c4z by Molmil
Cross-alpha Amyloid-like Structure alphaAmG - low resolution
分子名称: Cross-alpha Amyloid-like Structure alphaAmG - low resolution
著者Liu, L, Zhang, S.Q.
登録日2018-01-13
公開日2018-08-15
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6C52
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BU of 6c52 by Molmil
Cross-alpha Amyloid-like Structure alphaTet
分子名称: Cross-alpha Amyloid-like Structure alphaTet, GLYCEROL
著者Liu, L, Zhang, S.Q.
登録日2018-01-13
公開日2018-08-15
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6C51
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BU of 6c51 by Molmil
Cross-alpha Amyloid-like Structure alphaAmL
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmL, PHOSPHATE ION
著者Liu, L, Zhang, S.Q.
登録日2018-01-13
公開日2018-08-15
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6D02
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BU of 6d02 by Molmil
Cross-alpha Amyloid-like Structure alphaAmL, 2nd form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, PHOSPHATE ION, ...
著者Zhang, S.-Q, Liu, L, Degrado, W.F.
登録日2018-04-10
公開日2019-02-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6DDI
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BU of 6ddi by Molmil
Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2, ...
著者White, S.W, Yun, M.
登録日2018-05-10
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
6DDJ
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BU of 6ddj by Molmil
Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2
著者White, S.W, Yun, M.
登録日2018-05-10
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
2N2K
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BU of 2n2k by Molmil
Ensemble structure of the closed state of Lys63-linked diubiquitin in the absence of a ligand
分子名称: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ubiquitin
著者Liu, Z, Gong, Z, Tang, C.
登録日2015-05-10
公開日2015-07-08
最終更新日2015-09-23
実験手法SOLUTION NMR
主引用文献Lys63-linked ubiquitin chain adopts multiple conformational states for specific target recognition.
Elife, 4, 2015
2YPT
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BU of 2ypt by Molmil
Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A
分子名称: CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION
著者Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P.
登録日2012-11-01
公開日2012-12-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
7WEX
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BU of 7wex by Molmil
The crystal structure of substrate-free CYP107X1 from Streptomyces avermitilis
分子名称: Cytochrome P450 hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, L.-H, Lin, S, Gao, L.
登録日2021-12-24
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The 16 alpha-Hydroxylation of Progesterone by Cytochrome P450 107X1 from Streptomyces avermitilis.
Chem.Biodivers., 19, 2022
7DCL
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BU of 7dcl by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96I/A38S AB5
分子名称: CHLORIDE ION, HEME C, ZINC ION, ...
著者Song, W.J, Yu, J.
登録日2020-10-26
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Symmetry-related residues as promising hotspots for the evolution of de novo oligomeric enzymes.
Chem Sci, 12, 2021
7U8Z
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BU of 7u8z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor
分子名称: 1,2-ETHANEDIOL, 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide, ACETATE ION, ...
著者Watson, P.R, Cragin, A.D, Christianson, D.W.
登録日2022-03-09
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia.
J.Med.Chem., 65, 2022
7CBZ
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BU of 7cbz by Molmil
Crystal structure of T2R-TTL-A31 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ...
著者Yang, J.H, Yan, W.
登録日2020-06-15
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure.
J.Med.Chem., 64, 2021
7Y57
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BU of 7y57 by Molmil
Crystal structure of NS1 nuclease domain in P21 space group
分子名称: NS1 protein, PHOSPHATE ION
著者Zhang, X.Y, Gan, J.H.
登録日2022-06-16
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.183 Å)
主引用文献Structures and implications of the nuclease domain of human parvovirus B19 NS1 protein.
Comput Struct Biotechnol J, 20, 2022
7Y56
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Crystal structure of NS1 nuclease domain in P41212 space group
分子名称: GLYCEROL, NS1 protein
著者Zhang, X.Y, Gan, J.H.
登録日2022-06-16
公開日2023-07-05
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Structures and implications of the nuclease domain of human parvovirus B19 NS1 protein.
Comput Struct Biotechnol J, 20, 2022
7Y1R
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BU of 7y1r by Molmil
Human L-TGF-beta1 in complex with the anchor protein LRRC33
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Duan, Z, Zhang, Z.
登録日2022-06-08
公開日2022-08-31
最終更新日2022-09-07
実験手法ELECTRON MICROSCOPY (4.01 Å)
主引用文献Specificity of TGF-beta 1 signal designated by LRRC33 and integrin alpha V beta 8.
Nat Commun, 13, 2022
7Y1T
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BU of 7y1t by Molmil
Complex of integrin alphaV/beta8 and L-TGF-beta1 at a ratio of 1:2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Duan, Z, Zhang, Z.
登録日2022-06-08
公開日2022-08-31
最終更新日2022-09-07
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Specificity of TGF-beta 1 signal designated by LRRC33 and integrin alpha V beta 8.
Nat Commun, 13, 2022
7CNC
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BU of 7cnc by Molmil
cystal structure of human ERH in complex with DGCR8
分子名称: Enhancer of rudimentary homolog, Microprocessor complex subunit DGCR8
著者Li, F, Shen, S.
登録日2020-07-30
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献ERH facilitates microRNA maturation through the interaction with the N-terminus of DGCR8.
Nucleic Acids Res., 48, 2020
7CI1
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BU of 7ci1 by Molmil
Crystal structure of AcrVA2
分子名称: 1,2-ETHANEDIOL, AcrVA2, SPERMIDINE
著者Chen, P, Cheng, Z, Wang, Y.
登録日2020-07-07
公開日2020-10-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Study on Anti-CRISPR Protein AcrVA2
Prog.Biochem.Biophys., 2021
7CI2
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Crystal structure of AcrVA2 in complex with partial MbCpf1
分子名称: AcrVA2, MbCpf1
著者Chen, P, Cheng, Z, Wang, Y.
登録日2020-07-07
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Study on Anti-CRISPR Protein AcrVA2
Prog.Biochem.Biophys., 2021
6BAN
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BU of 6ban by Molmil
Potent and Selective Antitumor Activity of a T-Cell Engaging Bispecific Antibody Targeting a Membrane-Proximal Epitope of ROR1
分子名称: Inactive tyrosine-protein kinase transmembrane receptor ROR1, Variable domain R11 Heavy chain, Variable domain of R11 Light Chain
著者Park, H, Rader, C.
登録日2017-10-14
公開日2018-06-13
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent and selective antitumor activity of a T cell-engaging bispecific antibody targeting a membrane-proximal epitope of ROR1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5XBL
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BU of 5xbl by Molmil
Structure of nuclease in complex with associated protein
分子名称: Associated protein, CRISPR-associated endonuclease Cas9/Csn1, RNA (98-MER)
著者Dong, D, Guo, M, Wang, S, Zhu, Y, Huang, Z.
登録日2017-03-20
公開日2017-06-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.052 Å)
主引用文献Structural basis of CRISPR-SpyCas9 inhibition by an anti-CRISPR protein
Nature, 546, 2017
7DO4
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BU of 7do4 by Molmil
Crystal structure of CD97-CD55 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Niu, M, Song, G.
登録日2020-12-11
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for CD97 recognition of the decay-accelerating factor CD55 suggests mechanosensitive activation of adhesion GPCRs.
J.Biol.Chem., 296, 2021
7XDQ
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Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens
分子名称: Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose
著者Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2022-03-28
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022

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