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8JO4
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BU of 8jo4 by Molmil
Cryo-EM structure of a Legionella effector complexed with actin and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q.
Deposit date:2023-06-07
Release date:2024-05-01
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
8JO3
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BU of 8jo3 by Molmil
Cryo-EM structure of a Legionella effector complexed with actin and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q.
Deposit date:2023-06-07
Release date:2024-05-01
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
3ER3
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BU of 3er3 by Molmil
The active site of aspartic proteinases
Descriptor: 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN
Authors:Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L.
Deposit date:1991-01-02
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
6NV1
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BU of 6nv1 by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-02-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
6OUG
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BU of 6oug by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-05-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
2VV9
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BU of 2vv9 by Molmil
CDK2 in complex with an imidazole piperazine
Descriptor: 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol, CELL DIVISION PROTEIN KINASE 2
Authors:Acton, D.G, Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Finlay, M.R, Fisher, E, Gerhardt, S, Graham, M.A, Green, C.P, Heaton, D.W, Loddick, S.A, Morgentin, R, Read, J, Roberts, A, Stanway, J, Tucker, J.A, Weir, H.M.
Deposit date:2008-06-04
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Imidazole Piperazines: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors with a Novel Binding Mode.
Bioorg.Med.Chem.Lett., 18, 2008
3LQ8
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BU of 3lq8 by Molmil
Structure of the kinase domain of c-Met bound to XL880 (GSK1363089)
Descriptor: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Lougheed, J.C, Stout, T.J.
Deposit date:2010-02-08
Release date:2010-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Inhibition of tumor cell growth, invasion, and metastasis by EXEL-2880 (XL880, GSK1363089), a novel inhibitor of HGF and VEGF receptor tyrosine kinases.
Cancer Res., 69, 2009
2I1T
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BU of 2i1t by Molmil
Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
Descriptor: Jingzhaotoxin-3
Authors:Liao, Z, Peng, K, Liang, S.
Deposit date:2006-08-15
Release date:2006-08-29
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
To be Published
6IZN
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BU of 6izn by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 3g
Descriptor: 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-12-20
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
8D36
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BU of 8d36 by Molmil
Crystal structure of SARS-CoV-2 fusion peptide in complex with neutralizing antibody COV44-62
Descriptor: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
Authors:Yuan, M, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-05-31
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DAO
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BU of 8dao by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79
Descriptor: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
Authors:Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
Deposit date:2022-06-13
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8D6Z
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BU of 8d6z by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
Descriptor: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
Authors:Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
Deposit date:2022-06-06
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DTX
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BU of 8dtx by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
Descriptor: COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide
Authors:Lin, T.H, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTR
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BU of 8dtr by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14
Descriptor: COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTT
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BU of 8dtt by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
Descriptor: COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
3FFV
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BU of 3ffv by Molmil
Crystal Structure Analysis of Syd
Descriptor: Protein syd
Authors:Maurus, R, Brayer, G.D.
Deposit date:2008-12-04
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure, Binding, and Activity of Syd, a SecY-interacting Protein
J.Biol.Chem., 284, 2009
6V4O
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BU of 6v4o by Molmil
Structure of human 2E01 Fab in complex with influenza virus neuraminidase from B/Phuket/3073/2013
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab heavy chain, Antibody Fab light chain, ...
Authors:Dai, Y.N, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-11-28
Release date:2020-10-07
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Human Antibodies Targeting Influenza B Virus Neuraminidase Active Site Are Broadly Protective.
Immunity, 53, 2020
6V4N
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BU of 6v4n by Molmil
Structure of human 1G05 Fab in complex with influenza virus neuraminidase from B/Phuket/3073/2013
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab heavy chain, Antibody Fab light chain, ...
Authors:Dai, Y.N, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-11-28
Release date:2020-10-07
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Human Antibodies Targeting Influenza B Virus Neuraminidase Active Site Are Broadly Protective.
Immunity, 53, 2020
2K7G
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BU of 2k7g by Molmil
Solution Structure of varv F
Descriptor: Varv peptide F
Authors:Wang, C.K.
Deposit date:2008-08-10
Release date:2009-02-10
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Combined X-ray and NMR analysis of the stability of the cyclotide cystine knot fold that underpins its insecticidal activity and potential use as a drug scaffold
J.Biol.Chem., 284, 2009
7LQ7
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BU of 7lq7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2021-02-13
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Bispecific antibodies targeting distinct regions of the spike protein potently neutralize SARS-CoV-2 variants of concern.
Sci Transl Med, 13, 2021
5EPO
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BU of 5epo by Molmil
The three-dimensional structure of Clostridium absonum 7alpha-hydroxysteroid dehydrogenase
Descriptor: 7-alpha-hydroxysteroid deydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Lou, D, Wang, B, Wang, F.
Deposit date:2015-11-12
Release date:2016-03-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The three-dimensional structure of Clostridium absonum 7 alpha-hydroxysteroid dehydrogenase: new insights into the conserved arginines for NADP(H) recognition
Sci Rep, 6, 2016
2OK3
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BU of 2ok3 by Molmil
X-ray structure of human cyclophilin J at 2.0 angstrom
Descriptor: NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3
Authors:Xia, Z.
Deposit date:2007-01-15
Release date:2008-01-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma
To be Published
2OJU
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BU of 2oju by Molmil
X-ray structure of complex of human cyclophilin J with cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 3
Authors:Xia, Z, Huang, L.
Deposit date:2007-01-14
Release date:2008-01-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting Cyclophilin J, a Novel Peptidyl-Prolyl Isomerase, Can Induce Cellular G1/S Arrest and Repress the Growth of Hepatocellular Carcinoma
To be Published
7KHF
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BU of 7khf by Molmil
CryoEM structure of LILRB1 D3D4 domain-inserted antibody MDB1 Fab in complex with Plasmodium RIFIN (PF3D7_1373400) V2 domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MDB1 Fab heavy chain, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2020-10-21
Release date:2021-03-31
Last modified:2021-05-05
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of malaria RIFIN binding by LILRB1-containing antibodies.
Nature, 592, 2021
7KFK
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BU of 7kfk by Molmil
Crystal structure of LILRB1 D3D4 domain in complex with Plasmodium RIFIN (PF3D7_1373400) V2 domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Leukocyte immunoglobulin-like receptor subfamily B member 1, Rifin, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2020-10-14
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural basis of malaria RIFIN binding by LILRB1-containing antibodies.
Nature, 592, 2021

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数据于2024-07-24公开中

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