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7VNH
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BU of 7vnh by Molmil
drosophlia AHR PAS-B domain bound by the antagonist alpha-naphthoflavone
Descriptor: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Ahr homolog spineless
Authors:Dai, S.Y.
Deposit date:2021-10-11
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VRE
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BU of 7vre by Molmil
The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892
Descriptor: 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor
Authors:Zhu, S.J.
Deposit date:2021-10-22
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
7VRA
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BU of 7vra by Molmil
The crystal structure of EGFR T790M/C797S with the inhibitor HC5476
Descriptor: 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane, Epidermal growth factor receptor
Authors:Zhu, S.J.
Deposit date:2021-10-22
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
7V29
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BU of 7v29 by Molmil
Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION
Authors:Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H.
Deposit date:2021-08-07
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Structure-based design of a dual-warhead covalent inhibitor of FGFR4.
Commun Chem, 5, 2022
7E5Y
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BU of 7e5y by Molmil
Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD
Descriptor: 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1
Authors:Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M.
Deposit date:2021-02-21
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries.
Cell Discov, 7, 2021
3SJQ
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BU of 3sjq by Molmil
Crystal structure of a small conductance potassium channel splice variant complexed with calcium-calmodulin
Descriptor: 1-phenylurea, CALCIUM ION, Calmodulin, ...
Authors:Zhang, M, Pascal, J.M, Zhang, J.-F.
Deposit date:2011-06-21
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for calmodulin as a dynamic calcium sensor.
Structure, 20, 2012
5VZ4
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BU of 5vz4 by Molmil
Receptor-growth factor crystal structure at 2.20 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ...
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
7FDK
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BU of 7fdk by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to mACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDH
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BU of 7fdh by Molmil
SARS-COV-2 Spike RBDMACSp25 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDI
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BU of 7fdi by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7C43
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BU of 7c43 by Molmil
The crystal structure of Trypanosoma brucei RNase D : AMP complex
Descriptor: ADENOSINE MONOPHOSPHATE, CCHC-type domain-containing protein, MANGANESE (II) ION, ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-14
Release date:2021-04-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C4C
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BU of 7c4c by Molmil
The crystal structure of Trypanosoma brucei RNase D : GMP complex
Descriptor: CCHC-type domain-containing protein, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Method:X-RAY DIFFRACTION (2.265 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C4B
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BU of 7c4b by Molmil
The crystal structure of Trypanosoma brucei RNase D : UMP complex
Descriptor: CCHC-type domain-containing protein, MANGANESE (II) ION, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C45
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BU of 7c45 by Molmil
The crystal structure of Trypanosoma brucei RNase D complex with RNA U12
Descriptor: CALCIUM ION, CCHC-type domain-containing protein, RNA (5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C47
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BU of 7c47 by Molmil
The crystal structure of Trypanosoma brucei RNase D : CMP complex
Descriptor: CCHC-type domain-containing protein, CYTIDINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C42
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BU of 7c42 by Molmil
The crystal structure of Trypanosoma brucei RNase D
Descriptor: CCHC-type domain-containing protein, ZINC ION
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-14
Release date:2021-04-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
3RBQ
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BU of 3rbq by Molmil
Co-crystal structure of human UNC119 (retina gene 4) and an N-terminal Transducin-alpha mimicking peptide
Descriptor: Guanine nucleotide-binding protein G(t) subunit alpha-1, Protein unc-119 homolog A
Authors:Constantine, R, Whitby, F.G, Hill, C.P, Baehr, W.
Deposit date:2011-03-29
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:UNC119 is required for G protein trafficking in sensory neurons.
Nat.Neurosci., 14, 2011
7WZX
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BU of 7wzx by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
Descriptor: (2~{S},4~{S},6~{R})-2-[(2~{S},3~{R},5~{S},6~{R})-3,5-bis(methylamino)-2,4,6-tris(oxidanyl)cyclohexyl]oxy-6-methyl-4-oxidanyl-oxan-3-one, 4Fe-4S cluster-binding domain-containing protein, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2022-02-19
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.980013 Å)
Cite:Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7WZV
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BU of 7wzv by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
Descriptor: (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol, 1,2-ETHANEDIOL, 4Fe-4S cluster-binding domain-containing protein, ...
Authors:Zhou, J.H, Hou, X.L.
Deposit date:2022-02-19
Release date:2022-12-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.899313 Å)
Cite:Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7X0B
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BU of 7x0b by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
Descriptor: 4Fe-4S cluster-binding domain-containing protein, CHLORIDE ION, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2022-02-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02027535 Å)
Cite:Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
4ANE
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BU of 4ane by Molmil
R80N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: CITRIC ACID, NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Georgescauld, F, Moynie, L, Habersetzer, J, Lascu, I, Dautant, A.
Deposit date:2012-03-16
Release date:2013-03-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Mycobacterium Tuberculosis Nucleoside Diphosphate Kinase R80N Mutant in Complex with Citrate
Acta Crystallogr.,Sect.D, 70, 2014
4ANC
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BU of 4anc by Molmil
CRYSTAL FORM I OF THE D93N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Georgescauld, F, Moynie, L, Habersetzer, J, Lascu, I, Dautant, A.
Deposit date:2012-03-16
Release date:2013-03-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Intersubunit Ionic Interactions Stabilize the Nucleoside Diphosphate Kinase of Mycobacterium Tuberculosis.
Plos One, 8, 2013
4AND
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BU of 4and by Molmil
CRYSTAL FORM II OF THE D93N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Georgescauld, F, Moynie, L, Habersetzer, J, Lascu, I, Dautant, A.
Deposit date:2012-03-16
Release date:2013-03-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.808 Å)
Cite:Intersubunit Ionic Interactions Stabilize the Nucleoside Diphosphate Kinase of Mycobacterium Tuberculosis.
Plos One, 8, 2013
3RPM
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BU of 3rpm by Molmil
Crystal structure of the first GH20 domain of a novel Beta-N-acetyl-hexosaminidase StrH from Streptococcus pneumoniae R6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetyl-hexosaminidase, PENTAETHYLENE GLYCOL
Authors:Jiang, Y.L, Yu, W.L, Zhang, J.W.
Deposit date:2011-04-27
Release date:2011-10-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the substrate specificity of a novel beta-N-acetylhexosaminidase StrH protein from Streptococcus pneumoniae R6
J.Biol.Chem., 286, 2011

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