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6M19
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BU of 6m19 by Molmil
Template lasso peptide C24 mutant W14F
分子名称: lasso peptide
著者Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M.
登録日2020-02-25
公開日2021-03-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
4DV9
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BU of 4dv9 by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION
著者Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T.
登録日2012-02-23
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4BBF
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BU of 4bbf by Molmil
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
分子名称: (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2
著者Li, J.
登録日2012-09-21
公開日2012-11-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
7WRL
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BU of 7wrl by Molmil
Local structure of BD55-1239 Fab and SARS-COV2 Omicron RBD complex
分子名称: BD55-1239H, BD55-1239L, Spike protein S1
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRZ
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BU of 7wrz by Molmil
Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ...
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-28
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
4BBE
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BU of 4bbe by Molmil
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
分子名称: N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide, TYROSINE-PROTEIN KINASE JAK2
著者Li, J.
登録日2012-09-21
公開日2012-11-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
4BXD
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BU of 4bxd by Molmil
CRYSTAL STRUCTURE OF AMPDH3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH TETRASACCHARIDE PENTAPEPTIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, AMPDH3, PEPTIDE, ...
著者Artola-Recolons, C, Hermoso, J.A.
登録日2013-07-10
公開日2013-10-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Cell-Wall Remodeling by the Zinc-Protease Ampdh3 from Pseudomonas Aeruginosa.
J.Am.Chem.Soc., 135, 2013
4BXJ
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BU of 4bxj by Molmil
CRYSTAL STRUCTURE OF AMPDH3 FROM PSEUDOMONAS AERUGINOSA
分子名称: AMPDH3, GLYCEROL
著者Carrasco-Lopez, C, Hermoso, J.A.
登録日2013-07-12
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Cell-Wall Remodeling by the Zinc-Protease Ampdh3 from Pseudomonas Aeruginosa.
J.Am.Chem.Soc., 135, 2013
4BJ4
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BU of 4bj4 by Molmil
Structure of Pseudomonas aeruginosa amidase Ampdh2
分子名称: AMPDH2, CITRATE ANION
著者Martinez-Caballero, C.S, Carrasco-Lopez, C, Artola-Recolons, C, Hermoso, J.A.
登録日2013-04-16
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.722 Å)
主引用文献Reaction Products and the X-Ray Structure of Ampdh2, a Virulence Determinant of Pseudomonas Aeruginosa.
J.Am.Chem.Soc., 135, 2013
4DVF
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BU of 4dvf by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-8-(2-METHYLPROPYL)-15-(3-[(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE
著者Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T.
登録日2012-02-23
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4AWQ
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BU of 4awq by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide
著者Lougheed, J.C, Stout, T.J.
登録日2012-06-05
公開日2012-08-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4AWO
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BU of 4awo by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
分子名称: 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Lougheed, J.C, Stout, T.J.
登録日2012-06-05
公開日2012-08-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
8F2M
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BU of 8f2m by Molmil
Phi-29 scaffolding protein bound to intermediate-state MCP
分子名称: Capsid assembly scaffolding protein, Major capsid protein
著者Woodson, M.E, Morais, M.C, Jardine, P.J, Scott, S.D.
登録日2022-11-08
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Scaffold Oligomers Control Prohead Expansion
To Be Published
8GV5
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BU of 8gv5 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin A/swine/Guangdong/104/2013 (H1N1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Chen, Y, Song, H, Qi, J, Gao, G.F.
登録日2022-09-14
公開日2022-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV7
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BU of 8gv7 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H18 A/flat-faced bat/Peru/033/2010
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, Hemagglutinin H18-HA1, ...
著者Chen, Y, Song, H, Qi, J, Gao, G.F.
登録日2022-09-14
公開日2022-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV6
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BU of 8gv6 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H14 (A/long-tailed duck/Wisconsin/10OS3912/2010)
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, Hemagglutinin H14-HA1, ...
著者Chen, Y, Song, H, Qi, J, Gao, G.F.
登録日2022-09-14
公開日2022-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV4
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BU of 8gv4 by Molmil
A human broadly neutralizing influenza A hemagglutinin stem-specific antibody PN-SIA28
分子名称: PN-SIA28 heavy chain, PN-SIA28 light chain
著者Chen, Y, Song, H, Qi, J, Gao, G.F.
登録日2022-09-14
公開日2022-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8HNC
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BU of 8hnc by Molmil
Cryo-EM structure of human OATP1B1 in complex with bilirubin
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, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ...
著者Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y.
登録日2022-12-07
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8HNB
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BU of 8hnb by Molmil
Cryo-EM structure of human OATP1B1 in apo state
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, Solute carrier organic anion transporter family member 1B1
著者Shan, Z, Yang, X, Zhang, Y.
登録日2022-12-07
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8HNH
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BU of 8hnh by Molmil
Cryo-EM structure of human OATP1B1 in complex with simeprevir
分子名称: (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 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Shan, Z, Yang, X, Zhang, Y.
登録日2022-12-07
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8HND
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BU of 8hnd by Molmil
Cryo-EM structure of human OATP1B1 in complex with estrone-3-sulfate
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, Solute carrier organic anion transporter family member 1B1, ...
著者Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y.
登録日2022-12-07
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8K6L
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BU of 8k6l by Molmil
Cryo-EM structure of human OATP1B1 in complex with DCF
分子名称: 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one, 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Shan, Z, Yang, X, Zhang, Y.
登録日2023-07-25
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
3IY9
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BU of 3iy9 by Molmil
Leishmania Tarentolae Mitochondrial Large Ribosomal Subunit Model
分子名称: 39S ribosomal protein L11, mitochondrial, 39S ribosomal protein L16, ...
著者Sharma, M.R, Booth, T.M, Simpson, L, Maslov, D.A, Agrawal, R.K.
登録日2009-04-20
公開日2009-07-07
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (14.1 Å)
主引用文献Structure of a mitochondrial ribosome with minimal RNA
Proc.Natl.Acad.Sci.USA, 106, 2009
6U3G
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BU of 6u3g by Molmil
Best fitting antiparallel model for Volume 2 of truncated dimeric Cytohesin-3 (Grp1; amino acids 14-399)
分子名称: Cytohesin-3, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE
著者Das, S, Lambright, D.G.
登録日2019-08-21
公開日2019-09-25
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (53 Å)
主引用文献Structural Organization and Dynamics of Homodimeric Cytohesin Family Arf GTPase Exchange Factors in Solution and on Membranes.
Structure, 27, 2019
6ID1
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BU of 6id1 by Molmil
Cryo-EM structure of a human intron lariat spliceosome after Prp43 loaded (ILS2 complex) at 2.9 angstrom resolution
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, CWF19-like protein 2, Cell division cycle 5-like protein, ...
著者Zhang, X, Zhan, X, Yan, C, Shi, Y.
登録日2018-09-07
公開日2019-03-13
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019

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