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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:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
4QQC
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BU of 4qqc by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-27
Release date:2014-10-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4R5S
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BU of 4r5s by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3
Descriptor: Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2014-08-22
Release date:2014-11-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4R6V
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BU of 4r6v by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-08-26
Release date:2014-10-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
Deposit date:2021-07-06
Release date:2022-07-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.151 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
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:2024-10-23
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:2024-11-20
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Human Antibodies Targeting Influenza B Virus Neuraminidase Active Site Are Broadly Protective.
Immunity, 53, 2020
6LDQ
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BU of 6ldq by Molmil
Sucrose-phosphate synthase (tll1590)_27_220_406_426_from Thermosynechococcus elongatus (twinned)
Descriptor: THIOCYANATE ION, Tll1590 protein
Authors:Su, J.
Deposit date:2019-11-22
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Co-crystal Structure ofThermosynechococcus elongatusSucrose Phosphate Synthase With UDP and Sucrose-6-Phosphate Provides Insight Into Its Mechanism of Action Involving an Oxocarbenium Ion and the Glycosidic Bond.
Front Microbiol, 11, 2020
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:2024-10-23
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
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:2024-10-23
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
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
Descriptor: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
4D1E
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BU of 4d1e by Molmil
THE CRYSTAL STRUCTURE OF HUMAN MUSCLE ALPHA-ACTININ-2
Descriptor: ALPHA-ACTININ-2
Authors:Pinotsis, N, Salmazo, A, Sjoeblom, B, Gkougkoulia, E, Djinovic-Carugo, K.
Deposit date:2014-05-01
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The Structure and Regulation of Human Muscle Alpha-Actinin
Cell(Cambridge,Mass.), 159, 2014
6L8T
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BU of 6l8t by Molmil
Crystal structure of the Fab fragment of a humanized HBV therapeutic antibody
Descriptor: Antibody heavy chain, Antibody light chain
Authors:He, M.Z, Gu, Y, Li, S.W.
Deposit date:2019-11-07
Release date:2020-02-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Structure guided maturation of a novel humanized anti-HBV antibody and its preclinical development.
Antiviral Res., 180, 2020
6MD9
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BU of 6md9 by Molmil
NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR Isoxazolo-pyridinone 3
Descriptor: 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDA
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BU of 6mda by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4
Descriptor: 3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
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
8KH8
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BU of 8kh8 by Molmil
Crystal structure of FGFR4(V550L) kinase domain with 8z
Descriptor: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-08-21
Release date:2024-07-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8KH6
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BU of 8kh6 by Molmil
Crystal structure of FGFR4 kinase domain with 8r
Descriptor: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-08-21
Release date:2024-07-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8KH9
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BU of 8kh9 by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 8z
Descriptor: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-08-21
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
8KH7
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BU of 8kh7 by Molmil
Crystal structure of FGFR4 kinase domain with 8zc
Descriptor: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-08-21
Release date:2024-07-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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:2024-10-16
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:2024-11-13
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural basis of malaria RIFIN binding by LILRB1-containing antibodies.
Nature, 592, 2021
7WM0
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BU of 7wm0 by Molmil
Cryo-EM structure of the Omicron RBD in complex with 35B5 Fab( local refinement of the RBD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X, Zhu, Y.
Deposit date:2022-01-14
Release date:2022-08-17
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope
Cell Host Microbe, 30, 2022
7WLY
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BU of 7wly by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down- and 2 up RBDs)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, ...
Authors:Wang, X, Zhu, Y.
Deposit date:2022-01-14
Release date:2022-05-25
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022

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數據於2025-07-09公開中

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