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6KI0
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BU of 6ki0 by Molmil
Crystal Structure of Human ASC-CARD
分子名称: Maltose/maltodextrin-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Xu, Z.H, Jin, T.C.
登録日2019-07-16
公開日2020-07-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homotypic CARD-CARD interaction is critical for the activation of NLRP1 inflammasome.
Cell Death Dis, 12, 2021
6KUU
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BU of 6kuu by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B3)
分子名称: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
著者Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
登録日2019-09-02
公開日2019-12-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B3)
To Be Published
5VXQ
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BU of 5vxq by Molmil
X-Ray crystallography structure of the parallel stranded duplex formed by 5-rA5-dA-rA5
分子名称: AMMONIUM ION, DNA/RNA (5'-R(*AP*AP*AP*AP*A)-D(P*A)-R(P*AP*AP*AP*AP*A)-3')
著者Xie, J, Chen, Y, Wei, X, Kozlov, G, Gehring, K.
登録日2017-05-23
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.002 Å)
主引用文献Influence of nucleotide modifications at the C2' position on the Hoogsteen base-paired parallel-stranded duplex of poly(A) RNA.
Nucleic Acids Res., 45, 2017
7YGF
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BU of 7ygf by Molmil
Crystal structure of YggS from Fusobacterium nucleatum
分子名称: Pyridoxal phosphate homeostasis protein, SULFATE ION
著者He, S.R, Chan, Y.Y, Wang, L.L, Bai, X, Bu, T.T, Zhang, J, Xu, Y.B.
登録日2022-07-11
公開日2022-10-12
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural and Functional Analysis of the Pyridoxal Phosphate Homeostasis Protein YggS from Fusobacterium nucleatum.
Molecules, 27, 2022
7YF7
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BU of 7yf7 by Molmil
NMR solution structures of the DNA minidumbbell formed by two ATTTT repeats
分子名称: DNA (5'-D(*AP*TP*TP*TP*TP*AP*TP*TP*TP*T)-3'), SODIUM ION
著者Wan, L, Li, J, Guo, P.
登録日2022-07-07
公開日2023-01-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Nuclear Magnetic Resonance Structures of ATTTT and ATTTC Pentanucleotide Repeats Associated with SCA37 and FAMEs.
Acs Chem Neurosci, 14, 2023
6DUN
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BU of 6dun by Molmil
Crystal Structure Analysis of PIN1
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, TRIHYDROXYARSENITE(III)
著者Seo, H.-S, Dhe-Paganon, S.
登録日2018-06-21
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Arsenic targets Pin1 and cooperates with retinoic acid to inhibit cancer-driving pathways and tumor-initiating cells.
Nat Commun, 9, 2018
7YBO
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BU of 7ybo by Molmil
Crystal structure of FGFR4 kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-29
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YC3
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BU of 7yc3 by Molmil
Crystal structure of FGFR4 kinase domain with 10t
分子名称: 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide, Fibroblast growth factor receptor 4, GLYCEROL, ...
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YC1
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BU of 7yc1 by Molmil
Crystal structure of FGFR4 kinase domain with 10d
分子名称: Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ...
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.535 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YBP
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BU of 7ybp by Molmil
Crystal structure of FGFR4(V550L) kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-29
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YBX
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BU of 7ybx by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.233 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
6KCV
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BU of 6kcv by Molmil
Structure of alginate lyase Aly36B mutant K143A/Y185A in complex with alginate tetrasaccharide
分子名称: Alginate lyase, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Dong, F, Zhang, Y.Z, Chen, X.L.
登録日2019-06-29
公開日2020-06-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Alginate Lyase Aly36B is a New Bacterial Member of the Polysaccharide Lyase Family 36 and Catalyzes by a Novel Mechanism With Lysine as Both the Catalytic Base and Catalytic Acid.
J.Mol.Biol., 431, 2019
7Y9O
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BU of 7y9o by Molmil
Crystal structure of a CYP109B4 variant from Bacillus sonorensis
分子名称: CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ...
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-25
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
7Y97
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BU of 7y97 by Molmil
Crystal structure of CYP109B4 from Bacillus Sonorensis
分子名称: Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
7Y98
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BU of 7y98 by Molmil
Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone
分子名称: Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
7YLE
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BU of 7yle by Molmil
RnDmpX in complex with DMSP
分子名称: 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, Glycine betaine/proline ABC transporter, periplasmic glycinebetaine/proline-binding protein
著者Li, C.Y.
登録日2022-07-26
公開日2023-01-25
最終更新日2023-04-05
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Ubiquitous occurrence of a dimethylsulfoniopropionate ABC transporter in abundant marine bacteria.
Isme J, 17, 2023
7XS3
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BU of 7xs3 by Molmil
AlXyn26A E243A-X3X4X
分子名称: AlXyn26A E243A-X3X4X, beta-D-xylopyranose-(1-3)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Zhang, Y.Z, Chen, X.L, Zhao, F, Yu, C.M.
登録日2022-05-12
公開日2023-05-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel class of xylanases specifically degrade marine red algal beta 1,3/1,4-mixed-linkage xylan.
J.Biol.Chem., 299, 2023
8FQ7
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BU of 8fq7 by Molmil
Nanobody with WIW inserted in CDR3 loop to Inhibit Growth of Alzheimer's Tau fibrils
分子名称: GLYCEROL, Nanobody with WIW insert in CDR3 loop to target tau fibrils
著者Abskharon, R, Sawaya, M.R, Cascio, D.C, Eisenberg, D.S.
登録日2023-01-05
公開日2023-10-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-based design of nanobodies that inhibit seeding of Alzheimer's patient-extracted tau fibrils.
Proc.Natl.Acad.Sci.USA, 120, 2023
3U1Y
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BU of 3u1y by Molmil
Potent Inhibitors of LpxC for the Treatment of Gram-Negative Infections
分子名称: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Brown, M, Abramite, J, Liu, S.
登録日2011-09-30
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent inhibitors of LpxC for the treatment of Gram-negative infections.
J.Med.Chem., 55, 2012
6JYX
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BU of 6jyx by Molmil
Structure of CbpJ from Streptococcus Pneumoniae TIGR4
分子名称: CHOLINE ION, Choline binding protein J, DI(HYDROXYETHYL)ETHER
著者Xu, Q, Zhang, J.W, Li, Q, Jiang, Y.L.
登録日2019-04-29
公開日2019-06-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the choline-binding protein CbpJ from Streptococcus pneumoniae.
Biochem.Biophys.Res.Commun., 514, 2019
8IQ0
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BU of 8iq0 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
著者Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
登録日2023-03-15
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
8IQ1
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BU of 8iq1 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
著者Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
登録日2023-03-15
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
8IVB
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BU of 8ivb by Molmil
K113-Ubiquitinated BAK
分子名称: Bcl-2 homologous antagonist/killer, Ubiquitin
著者Dong, X, Cheng, P, Hou, Y.Z, Chen, Y.K, Liu, Z.
登録日2023-03-26
公開日2024-01-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Parkin-mediated ubiquitination inhibits BAK apoptotic activity by blocking its canonical hydrophobic groove.
Commun Biol, 6, 2023
6DG8
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BU of 6dg8 by Molmil
Full-length 5-HT3A receptor in a serotonin-bound conformation- State 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, SEROTONIN, ...
著者Basak, S, Chakrapani, S.
登録日2018-05-17
公開日2018-11-07
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Cryo-EM reveals two distinct serotonin-bound conformations of full-length 5-HT3Areceptor.
Nature, 563, 2018
6DG7
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BU of 6dg7 by Molmil
Full-length 5-HT3A receptor in a serotonin-bound conformation- State 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, SEROTONIN, ...
著者Basak, S, Chakrapani, S.
登録日2018-05-17
公開日2018-11-07
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cryo-EM reveals two distinct serotonin-bound conformations of full-length 5-HT3Areceptor.
Nature, 563, 2018

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