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6WMS
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BU of 6wms by Molmil
Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID2 Peptide
Descriptor: NCOR isoform c, Nuclear receptor Rev-ErbA beta variant 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mosure, S.A, Shang, J, Kojetin, D.J.
Deposit date:2020-04-21
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta.
Sci Adv, 7, 2021
6ONJ
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BU of 6onj by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with TRAP220 peptide and agonist rosiglitazone
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-04-22
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
6DLC
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BU of 6dlc by Molmil
Designed protein DHD1:234_A, Designed protein DHD1:234_B
Descriptor: Designed protein DHD1:234_A, Designed protein DHD1:234_B
Authors:Bick, M.J, Chen, Z, Baker, D.
Deposit date:2018-05-31
Release date:2018-12-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.261 Å)
Cite:Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
4Z5S
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BU of 4z5s by Molmil
Crystal structure of apo-form of aldehyde deformylating oxygenase from Synechocystis sp.PCC 6803
Descriptor: Aldehyde decarbonylase
Authors:Jia, C, Li, M, Chang, W.
Deposit date:2015-04-03
Release date:2016-04-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.582 Å)
Cite:Identification of residues important for the activity of aldehyde-deformylating oxygenase through investigation into the structure-activity relationship
BMC Biotechnol., 17, 2017
4KBQ
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BU of 4kbq by Molmil
Structure of the CHIP-TPR domain in complex with the Hsc70 Lid-Tail domains
Descriptor: E3 ubiquitin-protein ligase CHIP, Heat shock cognate 71 kDa protein
Authors:Page, R.C, Amick, J, Nix, J.C, Misra, S.
Deposit date:2013-04-23
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:A Bipartite Interaction between Hsp70 and CHIP Regulates Ubiquitination of Chaperoned Client Proteins.
Structure, 23, 2015
5LOE
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BU of 5loe by Molmil
Structure of full length Cody from Bacillus subtilis in complex with Ile
Descriptor: GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE
Authors:Wilkinson, A.J, Levdikov, V.M, Blagova, E.V.
Deposit date:2016-08-09
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis.
J. Biol. Chem., 292, 2017
4ZPY
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BU of 4zpy by Molmil
Structure of N170A MVM mutant empty capsid
Descriptor: VP1 protein
Authors:Guerra, P, Querol-Audi, J, Silva, C, Mateu, M.G, Verdaguer, N.
Deposit date:2015-05-08
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis for biologically relevant mechanical stiffening of a virus capsid by cavity-creating or spacefilling mutations.
Sci Rep, 7, 2017
6DMP
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BU of 6dmp by Molmil
De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks
Descriptor: Designed orthogonal protein DHD13_XAAA_A, Designed orthogonal protein DHD13_XAAA_B
Authors:Chen, Z, Flores-Solis, D, Sgourakis, N.G, Baker, D.
Deposit date:2018-06-05
Release date:2018-12-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
7VD5
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BU of 7vd5 by Molmil
Structure of C2S2M2-type PSII-FCPII supercomplex from diatom
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Nagao, R, Kato, K, Akita, F, Miyazaki, N, Shen, J.R.
Deposit date:2021-09-06
Release date:2022-03-02
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis for different types of hetero-tetrameric light-harvesting complexes in a diatom PSII-FCPII supercomplex
Nat Commun, 13, 2022
4ZZD
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BU of 4zzd by Molmil
CRYSTAL STRUCTURE OF MULTIDRUG RESISTANCE REGULATOR LMRR BOUND TO RIBOFLAVIN
Descriptor: RIBOFLAVIN, TRANSCRIPTIONAL REGULATOR, PADR-LIKE FAMILY
Authors:Madoori, P.K, Thunnissen, A.-M.W.H.
Deposit date:2015-05-22
Release date:2015-08-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Binding of the Lactococcal Drug Dependent Transcriptional Regulator LmrR to Its Ligands and Responsive Promoter Regions.
Plos One, 10, 2015
7AFV
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BU of 7afv by Molmil
Crystal structure of tetrameric beta-2-microglobulin deltaN6 S52C stabilized by a covalent ligand
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide, Beta-2-microglobulin
Authors:Guthertz, N, Cawood, E, Karamanos, T.
Deposit date:2020-09-20
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Modulation of Amyloidogenic Protein Self-Assembly Using Tethered Small Molecules.
J.Am.Chem.Soc., 142, 2020
1IDO
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BU of 1ido by Molmil
I-DOMAIN FROM INTEGRIN CR3, MG2+ BOUND
Descriptor: INTEGRIN, MAGNESIUM ION
Authors:Lee, J.-O, Liddington, R.
Deposit date:1996-03-12
Release date:1996-08-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the A domain from the alpha subunit of integrin CR3 (CD11b/CD18).
Cell(Cambridge,Mass.), 80, 1995
6ONI
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BU of 6oni by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with N-CoR peptide and inverse agonist T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, NCOR isoform c, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-04-22
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
2M48
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BU of 2m48 by Molmil
Solution Structure of IBR-RING2 Tandem Domain from Parkin
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE PARKIN, ZINC ION
Authors:Noh, Y.J, Mercier, P, Spratt, D.E, Shaw, G.S.
Deposit date:2013-01-30
Release date:2013-05-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A molecular explanation for the recessive nature of parkin-linked Parkinson's disease.
Nat Commun, 4, 2013
7NA2
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BU of 7na2 by Molmil
HDM2 in complex with compound 56
Descriptor: 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2
Authors:Scapin, G.
Deposit date:2021-06-19
Release date:2021-11-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7NA3
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BU of 7na3 by Molmil
HDM2 in complex with compound 62
Descriptor: 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Scapin, G.
Deposit date:2021-06-19
Release date:2021-11-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7NA1
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BU of 7na1 by Molmil
HDM2 in complex with compound 2
Descriptor: 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid, CITRIC ACID, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Scapin, G.
Deposit date:2021-06-19
Release date:2021-11-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7NA4
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BU of 7na4 by Molmil
HDM2 in complex with compound 63
Descriptor: 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, CHLORIDE ION, GLYCEROL, ...
Authors:Scapin, G.
Deposit date:2021-06-19
Release date:2021-11-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
6EXN
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BU of 6exn by Molmil
Post-catalytic P complex spliceosome with 3' splice site docked
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Intron lariat: UBC4 RNA, ...
Authors:Wilkinson, M.E, Fica, S.M, Galej, W.P, Norman, C.M, Newman, A.J, Nagai, K.
Deposit date:2017-11-08
Release date:2018-01-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Postcatalytic spliceosome structure reveals mechanism of 3'-splice site selection.
Science, 358, 2017
7AVA
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BU of 7ava by Molmil
Solution structure of the fluorogen-activating protein FAST in complex with the ligand N871b
Descriptor: (5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one, FAST
Authors:Mineev, K.S, Goncharuk, S.A, Baranov, M.S.
Deposit date:2020-11-05
Release date:2021-04-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NanoFAST: structure-based design of a small fluorogen-activating protein with only 98 amino acids.
Chem Sci, 12, 2021
4XX9
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BU of 4xx9 by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RF4
Descriptor: (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2015-01-29
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking.
J.Med.Chem., 58, 2015
2XOC
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BU of 2xoc by Molmil
C-terminal cysteine-rich domain of human CHFR bound to mADPr
Descriptor: ADENINE, ADENOSINE-5'-DIPHOSPHATE, E3 UBIQUITIN-PROTEIN LIGASE CHFR, ...
Authors:Oberoi, J, Bayliss, R.
Deposit date:2010-08-11
Release date:2010-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural Basis of Poly(Adp-Ribose) Recognition by the Multizinc Binding Domain of Checkpoint with Forkhead-Associated and Ring Domains (Chfr).
J.Biol.Chem., 285, 2010
3I6M
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BU of 3i6m by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine
Descriptor: (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lamba, D, Bartolucci, C.
Deposit date:2009-07-07
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
3VFJ
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BU of 3vfj by Molmil
The structure of monodechloro-teicoplanin in complex with its ligand, using MBP as a ligand carrier
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ...
Authors:Economou, N.J, Weeks, S.D, Grasty, K.C, Loll, P.J.
Deposit date:2012-01-09
Release date:2013-01-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the complex between teicoplanin and a bacterial cell-wall peptide: use of a carrier-protein approach.
Acta Crystallogr.,Sect.D, 69, 2013
3IGP
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BU of 3igp by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Gitto, R, Agnello, S, Brynda, J, Mader, P, Supuran, C.T, Chimirri, A.
Deposit date:2009-07-28
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as Potent Carbonic Anhydrase Inhibitors: Synthesis, Biological Evaluation, and Enzyme-Ligand X-ray Studies.
J.Med.Chem., 2010

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數據於2024-07-31公開中

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