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7C3G
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BU of 7c3g by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134
Descriptor: 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ...
Authors:Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
Deposit date:2020-05-12
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva.
Bioorg.Med.Chem.Lett., 38, 2021
7FBV
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BU of 7fbv by Molmil
The solution structure of the second RRM domain of Matrin-3
Descriptor: Matrin-3
Authors:Muto, Y, Kobayashi, N, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2021-07-13
Release date:2022-02-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1 H, 13 C and 15 N resonance assignments and solution structures of the two RRM domains of Matrin-3.
Biomol.Nmr Assign., 16, 2022
4YYX
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BU of 4yyx by Molmil
Crystal structure of the ZO-1 PDZ1 domain in complex with the 7-mer Claudin2 C-terminal tail
Descriptor: FORMIC ACID, Tight junction protein ZO-1 fused with Claudin-2 C-terminal
Authors:Nomme, J, Lavie, A.
Deposit date:2015-03-24
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis of a Key Factor Regulating the Affinity between the Zonula Occludens First PDZ Domain and Claudins.
J.Biol.Chem., 290, 2015
2YT2
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BU of 2yt2 by Molmil
Solution structure of the chimera of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK
Descriptor: Fibroblast growth factor receptor substrate 3 and ALK tyrosine kinase receptor
Authors:Li, H, Koshiba, S, Tomizawa, T, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-05
Release date:2008-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for the recognition of nucleophosmin-anaplastic lymphoma kinase oncoprotein by the phosphotyrosine binding domain of Suc1-associated neurotrophic factor-induced tyrosine-phosphorylated target-2
J.Struct.Funct.Genom., 11, 2010
2YTY
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BU of 2yty by Molmil
Solution structure of the fourth cold-shock domain of the human KIAA0885 protein (UNR protein)
Descriptor: Cold shock domain-containing protein E1
Authors:Goroncy, A.K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-05
Release date:2008-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein.
J.Struct.Funct.Genom., 11, 2010
2YT0
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BU of 2yt0 by Molmil
Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L
Descriptor: Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2
Authors:Li, H, Koshiba, S, Tochio, N, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-05
Release date:2008-04-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
2YT1
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BU of 2yt1 by Molmil
Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L
Descriptor: Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2
Authors:Li, H, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-05
Release date:2008-04-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
7FBR
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BU of 7fbr by Molmil
Solution structure of The first RNA binding domain of Matrin-3
Descriptor: Matrin-3
Authors:Muto, Y, Kobayashi, N, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2021-07-12
Release date:2022-02-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1 H, 13 C and 15 N resonance assignments and solution structures of the two RRM domains of Matrin-3.
Biomol.Nmr Assign., 16, 2022
2YUE
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BU of 2yue by Molmil
Solution structure of the NEUZ (NHR) domain in Neuralized from Drosophila melanogaster
Descriptor: Protein neuralized
Authors:He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Tarada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-06
Release date:2007-10-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and functional characterization of the NHR1 domain of the Drosophila neuralized E3 ligase in the notch signaling pathway.
J.Mol.Biol., 393, 2009
6RS2
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BU of 6rs2 by Molmil
Structure of the Bateman module of human CNNM4.
Descriptor: Metal transporter CNNM4
Authors:Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A.
Deposit date:2019-05-21
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.694 Å)
Cite:Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
8CI0
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BU of 8ci0 by Molmil
Maize Transketolase in complex with TPP and hydrolyzed (+)-Cornexistin
Descriptor: (1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic acid, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, MAGNESIUM ION, ...
Authors:Freigang, J.
Deposit date:2023-02-08
Release date:2023-03-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Investigations into Simplified Analogues of the Herbicidal Natural Product (+)-Cornexistin.
Chemistry, 29, 2023
8DIC
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BU of 8dic by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIB
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BU of 8dib by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIG
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BU of 8dig by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIH
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BU of 8dih by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIF
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BU of 8dif by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIE
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BU of 8die by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DII
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BU of 8dii by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8FBO
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BU of 8fbo by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_102
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBN
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BU of 8fbn by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_73
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBJ
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BU of 8fbj by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_60
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBI
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BU of 8fbi by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_39
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBK
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BU of 8fbk by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_65
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8DID
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BU of 8did by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
1IXD
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BU of 1ixd by Molmil
Solution structure of the CAP-GLY domain from human cylindromatosis tomour-suppressor CYLD
Descriptor: Cylindromatosis tumour-suppressor CYLD
Authors:Saito, K, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-06-19
Release date:2002-12-19
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The CAP-Gly domain of CYLD associates with the proline-rich sequence in NEMO/IKKgamma
STRUCTURE, 12, 2004

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