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7D09
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BU of 7d09 by Molmil
Acinetobacter MlaFEDB complex in ATP-bound Vtrans2 conformation
Descriptor: ABC transporter ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, Anti-sigma factor antagonist, ...
Authors:Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y.
Deposit date:2020-09-09
Release date:2020-12-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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)
Descriptor: 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
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.41 Å)
Cite: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
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
Deposit date:2018-08-26
Release date:2018-11-07
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Sucrose isomerase, ...
Authors:Xu, Z, Li, S, Xu, H, Zhou, J.
Deposit date:2012-10-23
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Capsid protein VP3, Capsid protein VP4, Viral protein 1, ...
Authors:Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
Deposit date:2018-08-25
Release date:2018-11-07
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: Spike protein S2,Spike protein S2
Authors:Sun, H, Song, H, Wang, Q.
Deposit date:2020-02-26
Release date:2020-06-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Ferritin, MAGNESIUM ION, SULFATE ION
Authors:Su, X.R, Ming, T.H.
Deposit date:2020-01-10
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), IMIDAZOLE, ...
Authors:Pokkuluri, P.R, Cygler, M.
Deposit date:1994-06-13
Release date:1995-02-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), IMIDAZOLE, ...
Authors:Pokkuluri, P.R, Cygler, M.
Deposit date:1994-06-13
Release date:1995-02-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor
Authors:Cai, Y, Huang, M.
Deposit date:2021-02-01
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite: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
Descriptor: (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
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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
Descriptor: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite: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
Descriptor: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite: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
Descriptor: 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, ...
Authors:Ratia, K.M, Xiong, R, Thatcher, G.R.
Deposit date:2021-02-10
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 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, ...
Authors:Ratia, K.M, Xiong, R, Thatcher, G.R.
Deposit date:2021-02-03
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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, ...
Authors:Ratia, K.M, Xiong, R, Thatcher, G.R.
Deposit date:2021-02-04
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 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, ...
Authors:Ratia, K.M, Xiong, R, Thatcher, G.R.
Deposit date:2021-01-08
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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, ...
Authors:Ratia, K.M, Xiong, R, Thatcher, G.R.
Deposit date:2021-01-08
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: (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
Authors:Lammens, A, Hollenstein, K, Klein, D.J.
Deposit date:2021-11-19
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7V3Z
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BU of 7v3z by Molmil
Structure of cannabinoid receptor type 1(CB1)
Descriptor: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, CHOLESTEROL, FLAVIN MONONUCLEOTIDE, ...
Authors:Liu, Z.J, Shen, L, Hua, T, Yao, D.Q, Wu, L.J.
Deposit date:2021-08-12
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.29 Å)
Cite: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
Descriptor: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2021-04-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2021-04-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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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BU of 7mf8 by Molmil
Crystal structure of antibody 10E8v4-P100fA Fab in space group P6422
Descriptor: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2021-04-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2021-04-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Antibody 10E8v4 Fab heavy chain, Antibody 10E8v4 Fab light chain
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2021-04-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.7 Å)
Cite: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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数据于2024-07-17公开中

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