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7LH9
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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
8DT8
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BU of 8dt8 by Molmil
LM18/Nb136 bispecific tetra-nanobody immunoglobulin in complex with SARS-CoV-2-6P-Mut7 S protein (focused refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LM18 nanobody, Nb136 nanobody, ...
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2022-07-25
公開日2023-06-14
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
7V6A
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BU of 7v6a by Molmil
Cry-EM structure of M4-c110-G protein complex
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V69
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Cryo-EM structure of a class A GPCR-G protein complex
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V68
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An Agonist and PAM-bound Class A GPCR with Gi protein complex structure
分子名称: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, J.J, Wu, L.J, Wu, M, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
5ISY
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BU of 5isy by Molmil
Crystal structure of Nudix family protein with NAD
分子名称: NADH pyrophosphatase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Zhang, D, Guan, Z, Zou, T, Yin, P.
登録日2016-03-15
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Structural basis of prokaryotic NAD-RNA decapping by NudC
Cell Res., 26, 2016
3ISW
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BU of 3isw by Molmil
Crystal structure of filamin-A immunoglobulin-like repeat 21 bound to an N-terminal peptide of CFTR
分子名称: Cystic fibrosis transmembrane conductance regulator, Filamin-A
著者Xu, Z, Page, R, Qin, J, Ithychanda, S.S, Liu, J.M, Misra, S.
登録日2009-08-27
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Biochemical basis of the interaction between cystic fibrosis transmembrane conductance regulator and immunoglobulin-like repeats of filamin.
J.Biol.Chem., 285, 2010
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Yan, X.E, Yun, C.H.
登録日2016-07-21
公開日2017-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
4RQL
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BU of 4rql by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene
分子名称: 1,2-ETHANEDIOL, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B.
登録日2014-11-03
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RRT
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BU of 4rrt by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
分子名称: (+)-3-carene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B.
登録日2014-11-06
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RUI
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BU of 4rui by Molmil
Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.
分子名称: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, Sabinene
著者Shah, M.B, Stout, C.D, Halpert, J.R.
登録日2014-11-19
公開日2015-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
6O1F
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BU of 6o1f by Molmil
Complex between soybean trypsin inhibitor beta1-tryptase and a humanized fab
分子名称: 1,2-ETHANEDIOL, Heavy Chain hu31A.v11, Light Chain hu31A.v11, ...
著者Ultsch, M.H, Yi, T.
登録日2019-02-19
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Allosteric Anti-tryptase Antibody for the Treatment of Mast Cell-Mediated Severe Asthma.
Cell, 179, 2019
5J87
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BU of 5j87 by Molmil
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
分子名称: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
著者Yun, C.H, Zhang, S.
登録日2016-04-07
公開日2017-04-19
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
7SGO
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BU of 7sgo by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form B)
分子名称: Flagellar protein FliL
著者Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
登録日2021-10-06
公開日2022-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SGP
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BU of 7sgp by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form C)
分子名称: Flagellar protein FliL
著者Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
登録日2021-10-06
公開日2022-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SGN
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BU of 7sgn by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form A)
分子名称: Flagellar protein FliL
著者Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
登録日2021-10-06
公開日2022-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
6FND
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BU of 6fnd by Molmil
Crystal structure of Toxoplasma gondii AKMT
分子名称: 1,2-ETHANEDIOL, Apical complex lysine methyltransferase, DI(HYDROXYETHYL)ETHER, ...
著者Pivovarova, Y, Dong, G.
登録日2018-02-02
公開日2018-11-14
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure of a Novel Dimeric SET Domain Methyltransferase that Regulates Cell Motility.
J. Mol. Biol., 430, 2018
5Y4M
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BU of 5y4m by Molmil
Discoidin domain of human CASPR2
分子名称: 1,2-ETHANEDIOL, human CASPR2 Disc domain
著者Liu, H, Xu, F, Zhang, J, Liang, W.
登録日2017-08-04
公開日2018-08-08
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural mapping of hot spots within human CASPR2 discoidin domain for autoantibody recognition.
J. Autoimmun., 96, 2019
4X48
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BU of 4x48 by Molmil
Crystal structure of GluR2 ligand-binding core
分子名称: GLUTAMIC ACID, Glutamate receptor 2, N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide, ...
著者Pandit, J.
登録日2014-12-02
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Discovery and Characterization of the alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Potentiator N-{(3S,4S)-4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide (PF-04958242).
J.Med.Chem., 58, 2015
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
分子名称: 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
6J56
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BU of 6j56 by Molmil
Crystal structure of Myosin VI CBD in complex with Tom1 MBM
分子名称: Peptide from Target of Myb protein 1, Unconventional myosin-VI
著者Hu, S, Pan, L.
登録日2019-01-10
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structure of Myosin VI/Tom1 complex reveals a cargo recognition mode of Myosin VI for tethering.
Nat Commun, 10, 2019
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
3CD4
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BU of 3cd4 by Molmil
REFINEMENT AND ANALYSIS OF THE FIRST TWO DOMAINS OF HUMAN CD4
分子名称: T CELL SURFACE GLYCOPROTEIN CD4
著者Garrett, T.P.J, Wang, J, Yan, Y, Harrison, S.C.
登録日1992-07-30
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refinement and analysis of the structure of the first two domains of human CD4
J.Mol.Biol., 234, 1993
5XGP
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BU of 5xgp by Molmil
structure of Sizzled from Xenopus laevis at 2.08 angstroms resolution
分子名称: CHLORIDE ION, SULFATE ION, Secreted Xwnt8 inhibitor sizzled
著者Liu, H, Li, Z, Xu, F.
登録日2017-04-15
公開日2017-08-23
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.077 Å)
主引用文献The crystal structure of full-length Sizzled from Xenopus laevis yields insights into Wnt-antagonistic function of secreted Frizzled-related proteins
J. Biol. Chem., 292, 2017

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