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7D09
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BU of 7d09 by Molmil
Acinetobacter MlaFEDB complex in ATP-bound Vtrans2 conformation
分子名称: ABC transporter ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, Anti-sigma factor antagonist, ...
著者Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y.
登録日2020-09-09
公開日2020-12-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter.
Cell Discov, 6, 2020
5W0E
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BU of 5w0e by Molmil
CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)
分子名称: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, CREB-binding protein
著者Murray, J.M.
登録日2017-05-30
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6AJ2
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BU of 6aj2 by Molmil
The structure of ICAM-5 triggered Enterovirus D68 virus A-particle
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
登録日2018-08-26
公開日2018-11-07
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
4HOZ
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BU of 4hoz by Molmil
The crystal structure of isomaltulose synthase mutant D241A from Erwinia rhapontici NX5 in complex with D-glucose
分子名称: CALCIUM ION, GLYCEROL, Sucrose isomerase, ...
著者Xu, Z, Li, S, Xu, H, Zhou, J.
登録日2012-10-23
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structural Basis of Erwinia rhapontici Isomaltulose Synthase
Plos One, 8, 2013
6AJ0
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BU of 6aj0 by Molmil
The structure of Enterovirus D68 mature virion
分子名称: Capsid protein VP3, Capsid protein VP4, Viral protein 1, ...
著者Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
登録日2018-08-25
公開日2018-11-07
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6M1V
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BU of 6m1v by Molmil
Crystal structure of post fusion core of 2019-nCoV S2 subunit
分子名称: Spike protein S2,Spike protein S2
著者Sun, H, Song, H, Wang, Q.
登録日2020-02-26
公開日2020-06-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of HCoV-19 fusion core and an effective inhibition peptide against virus entry.
Emerg Microbes Infect, 9, 2020
6LPE
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BU of 6lpe by Molmil
Phascolosoma esculenta ferritin
分子名称: Ferritin, MAGNESIUM ION, SULFATE ION
著者Su, X.R, Ming, T.H.
登録日2020-01-10
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural comparison of two ferritins from the marine invertebrate Phascolosoma esculenta.
Febs Open Bio, 11, 2021
1MRC
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BU of 1mrc by Molmil
PREPARATION, CHARACTERIZATION AND CRYSTALLIZATION OF AN ANTIBODY FAB FRAGMENT THAT RECOGNIZES RNA. CRYSTAL STRUCTURES OF NATIVE FAB AND THREE FAB-MONONUCLEOTIDE COMPLEXES
分子名称: IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), IMIDAZOLE, ...
著者Pokkuluri, P.R, Cygler, M.
登録日1994-06-13
公開日1995-02-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. Crystal structures of native Fab and three Fab-mononucleotide complexes.
J.Mol.Biol., 243, 1994
1MRD
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BU of 1mrd by Molmil
PREPARATION, CHARACTERIZATION AND CRYSTALLIZATION OF AN ANTIBODY FAB FRAGMENT THAT RECOGNIZES RNA. CRYSTAL STRUCTURES OF NATIVE FAB AND THREE FAB-MONONUCLEOTIDE COMPLEXES
分子名称: IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), IMIDAZOLE, ...
著者Pokkuluri, P.R, Cygler, M.
登録日1994-06-13
公開日1995-02-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. Crystal structures of native Fab and three Fab-mononucleotide complexes.
J.Mol.Biol., 243, 1994
7E17
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BU of 7e17 by Molmil
Structure of dimeric uPAR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor
著者Cai, Y, Huang, M.
登録日2021-02-01
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
7SVM
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BU of 7svm by Molmil
DPP8 IN COMPLEX WITH LIGAND ICeD-2
分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7SVN
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BU of 7svn by Molmil
DPP9 IN COMPLEX WITH LIGAND ICeD-1
分子名称: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7SVO
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BU of 7svo by Molmil
DPP8 IN COMPLEX WITH LIGAND ICeD-1
分子名称: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7LOS
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BU of 7los by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-65
分子名称: 5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide, CHLORIDE ION, Non-structural protein 3, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-02-10
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
7LLF
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BU of 7llf by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-83
分子名称: 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, BORIC ACID, GLYCEROL, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-02-03
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
7LLZ
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BU of 7llz by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-69
分子名称: N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide, Non-structural protein 3, SULFATE ION, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-02-04
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
7LBR
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BU of 7lbr by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-89
分子名称: 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, GLYCEROL, Non-structural protein 3, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-01-08
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
7LBS
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BU of 7lbs by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-24
分子名称: 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide, BORIC ACID, GLYCEROL, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-01-08
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
7SVL
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BU of 7svl by Molmil
DPP9 IN COMPLEX WITH LIGAND ICeD-2
分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7V3Z
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Structure of cannabinoid receptor type 1(CB1)
分子名称: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, CHOLESTEROL, FLAVIN MONONUCLEOTIDE, ...
著者Liu, Z.J, Shen, L, Hua, T, Yao, D.Q, Wu, L.J.
登録日2021-08-12
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献A Genetically Encoded F-19 NMR Probe Reveals the Allosteric Modulation Mechanism of Cannabinoid Receptor 1.
J.Am.Chem.Soc., 143, 2021
7MFB
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BU of 7mfb by Molmil
Crystal structure of antibody 10E8v4 Fab - light chain H31F variant
分子名称: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
著者Kwon, Y.D, Kwong, P.D.
登録日2021-04-08
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography.
Antibodies, 10, 2021
7MFA
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BU of 7mfa by Molmil
Crystal structure of antibody 10E8v4-P100fA+P100gA Fab
分子名称: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
著者Kwon, Y.D, Kwong, P.D.
登録日2021-04-08
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography.
Antibodies, 10, 2021
7MF8
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Crystal structure of antibody 10E8v4-P100fA Fab in space group P6422
分子名称: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
著者Kwon, Y.D, Kwong, P.D.
登録日2021-04-08
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography.
Antibodies, 10, 2021
7MF7
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BU of 7mf7 by Molmil
Crystal structure of antibody 10E8v4-P100gA Fab
分子名称: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
著者Kwon, Y.D, Kwong, P.D.
登録日2021-04-08
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography.
Antibodies, 10, 2021
7MF9
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BU of 7mf9 by Molmil
Crystal structure of antibody 10E8v4-P100fA Fab in space group C2
分子名称: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
著者Kwon, Y.D, Kwong, P.D.
登録日2021-04-08
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography.
Antibodies, 10, 2021

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