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6GES
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BU of 6ges by Molmil
Crystal structure of ERK1 covalently bound to SM1-71
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ...
Authors:Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-04-27
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
4XJF
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BU of 4xjf by Molmil
X-ray structure of Lysozyme B1
Descriptor: BROMIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
5B7C
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BU of 5b7c by Molmil
Crystal structure of octopus S-crystallin Q108F mutant in complex with glutathione
Descriptor: GLUTATHIONE, S-crystallin OctvuS4, SULFATE ION
Authors:Chou, C.-Y, Tan, W.-H, Wu, C.-G.
Deposit date:2016-06-07
Release date:2016-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of a Highly Active Cephalopod S-crystallin Mutant: New Molecular Evidence for Evolution from an Active Enzyme into Lens-Refractive Protein.
Sci Rep, 6, 2016
6GEP
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BU of 6gep by Molmil
SULFITE REDUCTASE HEMOPROTEIN NITRIC OXIDE COMPLEX REDUCED WITH PROFLAVINE EDTA
Descriptor: IRON/SULFUR CLUSTER, NITRIC OXIDE, POTASSIUM ION, ...
Authors:Crane, B.R, Getzoff, E.D.
Deposit date:1997-07-10
Release date:1998-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products.
Biochemistry, 36, 1997
6G4U
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BU of 6g4u by Molmil
The solution NMR structure of brevinin-1BYa in dodecylphosphocholine micelles
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2018-03-28
Release date:2019-10-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and positional studies of the antimicrobial peptide brevinin-1BYa in membrane-mimetic environments.
J.Pept.Sci., 25, 2019
6PX1
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BU of 6px1 by Molmil
Set2 bound to nucleosome
Descriptor: DNA (149-MER), Histone H2B 1.1, Histone H3, ...
Authors:Halic, M, Bilokapic, S.
Deposit date:2019-07-24
Release date:2019-08-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Nucleosome and ubiquitin position Set2 to methylate H3K36.
Nat Commun, 10, 2019
6G4I
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BU of 6g4i by Molmil
The solution NMR structure of brevinin-1BYa in 33% trifluoroethanol
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2018-03-27
Release date:2019-10-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and positional studies of the antimicrobial peptide brevinin-1BYa in membrane-mimetic environments.
J.Pept.Sci., 25, 2019
6G4K
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BU of 6g4k by Molmil
The solution NMR structure of brevinin-1BYa in sodium dodecyl sulphate micelles
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2018-03-27
Release date:2019-10-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and positional studies of the antimicrobial peptide brevinin-1BYa in membrane-mimetic environments.
J.Pept.Sci., 25, 2019
6PU3
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BU of 6pu3 by Molmil
ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori
Descriptor: Heme-binding protein A, SER-THR-SER-ALA
Authors:Rahman, M.M, Machuca, M.A, Khan, M.F, Barlow, C.K, Schittenhelm, R.B, Roujeinikova, A.
Deposit date:2019-07-16
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis of Unexpected Specificity of ABC Transporter-Associated Substrate-Binding Protein DppA from Helicobacter pylori.
J.Bacteriol., 201, 2019
6PUZ
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BU of 6puz by Molmil
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ446 (compound 4f)
Descriptor: 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ...
Authors:Lyumkis, D, Jozwik, I.K, Passos, D.
Deposit date:2019-07-18
Release date:2020-02-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
6QAJ
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BU of 6qaj by Molmil
Structure of the tripartite motif of KAP1/TRIM28
Descriptor: Endolysin,Transcription intermediary factor 1-beta, ZINC ION
Authors:Stoll, G.A, Oda, S, Yu, M, Modis, Y.
Deposit date:2018-12-19
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structure of KAP1 tripartite motif identifies molecular interfaces required for retroelement silencing.
Proc.Natl.Acad.Sci.USA, 116, 2019
6GPJ
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BU of 6gpj by Molmil
Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4F-Man
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, GDP-mannose 4,6 dehydratase, ...
Authors:Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2018-06-06
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
6PSH
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BU of 6psh by Molmil
Crystal structure of periplasmic domain of antiholin RI from T4 phage
Descriptor: 1,2-ETHANEDIOL, Antiholin
Authors:Kuznetsov, V.B, Krieger, I.V, Sacchettini, J.C.
Deposit date:2019-07-12
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
8GTJ
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BU of 8gtj by Molmil
Crystal structure of IpaH7.8-LRR and GSDMB isoform-4 complex
Descriptor: Isoform 4 of Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8
Authors:Zhong, X, Hou, Y.J, Ding, J.
Deposit date:2022-09-08
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural mechanisms for regulation of GSDMB pore-forming activity.
Nature, 616, 2023
8GOC
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BU of 8goc by Molmil
Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Vasopressin V2 receptor, V2R
Descriptor: Beta-arrestin-2, Fab30 Heavy Chain, Fab30 Light Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2022-08-24
Release date:2023-05-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
8GOO
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BU of 8goo by Molmil
Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1
Descriptor: Beta-arrestin-2, C5a anaphylatoxin chemotactic receptor 1, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2022-08-25
Release date:2023-05-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
6GUC
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BU of 6guc by Molmil
CDK2/CyclinA in complex with SU9516
Descriptor: (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
3IPV
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BU of 3ipv by Molmil
Crystal structure of Spatholobus parviflorus seed lectin
Descriptor: CALCIUM ION, Lectin alpha chain, Lectin beta chain, ...
Authors:Geethanandan, K, Bharath, S.R, Abhilash, J, Sadasivan, C, Haridas, M.
Deposit date:2009-08-18
Release date:2009-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:X-ray structure of a galactose-specific lectin from Spatholobous parviflorous
Int.J.Biol.Macromol., 49, 2011
8G55
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BU of 8g55 by Molmil
Temperature-dependent structures of tau aggregates
Descriptor: Microtubule-associated protein tau
Authors:El Mammeri, N, Duan, P, Dregni, A.J, Hong, M.
Deposit date:2023-02-11
Release date:2023-06-07
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Amyloid fibril structures of tau: Conformational plasticity of the second microtubule-binding repeat.
Sci Adv, 9, 2023
4XLV
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BU of 4xlv by Molmil
Crystal structure of the activated insulin receptor tyrosine kinase dimer
Descriptor: Insulin receptor, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Hubbard, S.R, Li, S.
Deposit date:2015-01-13
Release date:2015-03-25
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The insulin and IGF1 receptor kinase domains are functional dimers in the activated state.
Nat Commun, 6, 2015
8G54
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BU of 8g54 by Molmil
Temperature-dependent structures of tau aggregates
Descriptor: Microtubule-associated protein tau
Authors:El Mammeri, N, Duan, P, Dregni, A.J, Hong, M.
Deposit date:2023-02-11
Release date:2023-06-07
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Amyloid fibril structures of tau: Conformational plasticity of the second microtubule-binding repeat.
Sci Adv, 9, 2023
8GRS
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BU of 8grs by Molmil
human TMEM63A
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CSC1-like protein 1
Authors:Zhang, M.F.
Deposit date:2022-09-02
Release date:2023-06-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
8GRN
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BU of 8grn by Molmil
AtOSCA1.1 extended state
Descriptor: Protein OSCA1, [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
Authors:Zhang, M.F.
Deposit date:2022-09-02
Release date:2023-06-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
8GSO
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BU of 8gso by Molmil
AtOSCA3.1 channel extended state
Descriptor: CSC1-like protein ERD4
Authors:Zhang, M.F.
Deposit date:2022-09-06
Release date:2023-06-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
6Q94
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BU of 6q94 by Molmil
Crystal structure of human GDP-D-mannose 4,6-dehydratase (S156D) in complex with GDP-Man
Descriptor: 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ...
Authors:Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2018-12-17
Release date:2019-04-24
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019

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