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8WWP
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BU of 8wwp by Molmil
PNPase mutant of Mycobacterium tuberculosis
分子名称: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase
著者Wang, N, Sheng, Y.N, Liu, Y.T.
登録日2023-10-26
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
8WXF
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BU of 8wxf by Molmil
PNPase of Mycobacterium tuberculosis
分子名称: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase
著者Wang, N, Sheng, Y.N, Liu, Y.T.
登録日2023-10-29
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
6BZ3
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BU of 6bz3 by Molmil
Complex structure of FAK FAT domain and DCC P3 motif
分子名称: CALCIUM ION, Focal adhesion kinase 1, Netrin receptor DCC
著者Xu, S, Wang, J.-H.
登録日2017-12-22
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献The binding of DCC-P3 motif and FAK-FAT domain mediates the initial step of netrin-1/DCC signaling for axon attraction.
Cell Discov, 4, 2018
7E39
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BU of 7e39 by Molmil
SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ...
著者Liu, C.
登録日2021-02-08
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E3B
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BU of 7e3b by Molmil
SARS-Cov-2 spike in complex with the Ab5 neutralizing antibody (focused refinement on Fab-RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab5, Light Chain of Ab5, ...
著者Liu, C.
登録日2021-02-08
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E3C
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BU of 7e3c by Molmil
SARS-CoV-2 spike in complex with the Ab1 neutralizing antibody (focused refinement on Fab-RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Ab1, Light chain of Ab1, ...
著者Liu, C.
登録日2021-02-08
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
8JGF
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BU of 8jgf by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGG
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BU of 8jgg by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGB
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BU of 8jgb by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2
分子名称: Conorfamide-Tx2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
7LH9
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BU of 7lh9 by Molmil
Crystal structure of BRPF2 PWWP domain in complex with DNA
分子名称: Bromodomain-containing protein 1, DNA
著者Zhang, M, Lei, M, Qin, S, Dong, A, Yang, A, Li, Y, Loppnau, P, Hughes, T.R, Arrowsmith, C.H, Edwards, A.M, Min, J, Liu, J, Structural Genomics Consortium (SGC)
登録日2021-01-21
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the BRPF2 PWWP domain in complex with DNA reveals a different binding mode than the HDGF family of PWWP domains.
Biochim Biophys Acta Gene Regul Mech, 1864, 2021
4LGI
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BU of 4lgi by Molmil
N-terminal truncated NleC structure
分子名称: Uncharacterized protein
著者Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W.
登録日2013-06-28
公開日2014-01-15
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
分子名称: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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BU of 8h6p by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
分子名称: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
著者Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
登録日2022-09-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
8TBF
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BU of 8tbf by Molmil
Tricomplex of RMC-7977, KRAS WT, and CypA
分子名称: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
4LGJ
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BU of 4lgj by Molmil
Crystal structure and mechanism of a type III secretion protease
分子名称: Uncharacterized protein, ZINC ION
著者Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W.
登録日2013-06-28
公開日2014-01-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
5GMZ
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BU of 5gmz by Molmil
Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine
分子名称: (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
著者Xu, Z.H, Zhou, Z.
登録日2016-07-18
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
4Q1Q
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BU of 4q1q by Molmil
Crystal structure of TibC-catalyzed hyper-glycosylated TibA55-350 fragment
分子名称: Adhesin/invasin TibA autotransporter, D-glycero-alpha-D-manno-heptopyranose
著者Yao, Q, Lu, Q, Shao, F.
登録日2014-04-04
公開日2014-09-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献An iron-containing dodecameric heptosyltransferase family modifies bacterial autotransporters in pathogenesis
Cell Host Microbe, 16, 2014
3S6W
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BU of 3s6w by Molmil
Crystal structure of Tudor domain of human TDRD3
分子名称: ISOPROPYL ALCOHOL, Tudor domain-containing protein 3
著者Liu, H.P, Xu, R.M.
登録日2011-05-26
公開日2012-03-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of TDRD3 and methyl-arginine binding characterization of TDRD3, SMN and SPF30
Plos One, 7, 2012
4EGT
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BU of 4egt by Molmil
Crystal structure of major capsid protein P domain from rabbit hemorrhagic disease virus
分子名称: Major capsid protein VP60
著者Wang, X, Xu, F, Zhang, K, Zhai, Y, Sun, F.
登録日2012-04-01
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Atomic model of rabbit hemorrhagic disease virus by cryo-electron microscopy and crystallography.
Plos Pathog., 9, 2013
6V2H
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BU of 6v2h by Molmil
Crystal structure of CDYL2 in complex with H3tK27me3
分子名称: Chromodomain Y-like protein 2, H3tK27me3, NICKEL (II) ION, ...
著者Dong, C, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2019-11-22
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
4E0R
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BU of 4e0r by Molmil
Structure of the chicken MHC class I molecule BF2*0401
分子名称: 8-MERIC PEPTIDE (FUS/TLS), Beta-2 microglobulin, MHC class I alpha chain 2
著者Zhang, J, Chen, Y, Qi, J, Gao, F, Kaufman, J, Xia, C, Gao, G.F.
登録日2012-03-05
公開日2012-11-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012
6V3N
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BU of 6v3n by Molmil
Crystal structure of CDYL2 in complex with H3K27me3
分子名称: ACE-GLN-LEU-ALA-THR-LYS-ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA-THR-TYR-NH2, Chromodomain Y-like protein 2, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-11-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
6V41
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BU of 6v41 by Molmil
crystal structure of CDY1 chromodomain bound to H3K9me3
分子名称: Histone H3.1 Peptide, Testis-specific chromodomain protein Y 1, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-11-27
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
6V8W
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BU of 6v8w by Molmil
CDYL2 chromodomain in complex with a synthetic peptide
分子名称: Chromodomain Y-like protein 2, IVA-PHE-ALA-PHE-5T3-SER-NH2, UNKNOWN ATOM OR ION
著者Dong, C, Tempel, W, James, L.I, Lamb, K.N, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-12-12
公開日2020-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020

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件を2024-08-28に公開中

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