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PDB: 3021 results

9BAF
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Solution NMR structure of conofurin-Delta
Descriptor: Alpha-conotoxin LvIA
Authors:Harvey, P.J, Craik, D.J, Hone, A.J, McIntosh, J.M.
Deposit date:2024-04-04
Release date:2024-07-03
Method:SOLUTION NMR
Cite:Design, Synthesis, and Structure-Activity Relationships of Novel Peptide Derivatives of the Severe Acute Respiratory Syndrome-Coronavirus-2 Spike-Protein that Potently Inhibit Nicotinic Acetylcholine Receptors.
J.Med.Chem., 67, 2024
8ZFO
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BU of 8zfo by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and nTZDpa
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFR
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BU of 8zfr by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and nTZDpa
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
9BGP
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BU of 9bgp by Molmil
X-ray structure of the aminotransferase from Vibrio vulnificus responsible for the biosynthesis of 2,3-diacetamido-4-amino-2,3,4-trideoxy-arabinose in the presence of its internal aldimine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, aminotransferase
Authors:Fait, D.J, Thoden, J.B, Holden, H.M.
Deposit date:2024-04-19
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Biochemical Investigation of an Aminotransferase Required for the Production of 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose
To Be Published
8ZFP
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BU of 8zfp by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and MRL24
Descriptor: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
9BGR
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BU of 9bgr by Molmil
X-ray structure of the aminotransferase from Vibrio vulnificus responsible for the biosynthesis of 2,3-diacetamido-4-amino-2,3,4-trideoxy-arabinose in the presence of its external aldimine with 2,3-diacetamido-4-amino-2,3,4-trideoxy-l-arabinose
Descriptor: (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Fait, D.J, Thoden, J.B, Holden, H.M.
Deposit date:2024-04-19
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Biochemical Investigation of an Aminotransferase Required for the Production of 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose
To Be Published
8ZFS
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BU of 8zfs by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and MRL24
Descriptor: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFT
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BU of 8zft by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and SR1664
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFQ
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BU of 8zfq by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and BVT.13
Descriptor: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
9C8R
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BU of 9c8r by Molmil
CryoEM structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase
Descriptor: Acetyl-coenzyme A synthetase
Authors:Xu, Z, Schnicker, N.J, Jezeski, A.J, Krysan, D.J.
Deposit date:2024-06-12
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:CryoEM structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase
To Be Published
9C8S
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BU of 9c8s by Molmil
CryoEM structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with adenosine-5'-ethylphosphate
Descriptor: 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:Xu, Z, Schnicker, N.J, Jezeski, A.J, Krysan, D.J.
Deposit date:2024-06-12
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:CryoEM structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with adenosine-5'-ethylphosphate
To Be Published
8ZFN
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BU of 8zfn by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and BVT.13
Descriptor: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
9B1R
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BU of 9b1r by Molmil
Functional implication of the homotrimeric multidomain vacuolar sorting receptor 1 from Arabidopsis thaliana
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Vacuolar-sorting receptor 1
Authors:Park, H, Youn, B, Park, D.J, Puthanveettil, S.V, Kang, C.
Deposit date:2024-03-13
Release date:2024-05-15
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Functional implication of the homotrimeric multidomain vacuolar sorting receptor 1 (VSR1) from Arabidopsis thaliana.
Sci Rep, 14, 2024
6E53
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BU of 6e53 by Molmil
Structure of TERT in complex with a novel telomerase inhibitor
Descriptor: MAGNESIUM ION, RNA/DNA hairpin, Telomerase reverse transcriptase, ...
Authors:Hernandez-Sanchez, W, Huang, W, Plucinsky, B, Garcia-Vazquez, N, Berdis, A.J, Skordalakes, E, Taylor, D.J.
Deposit date:2018-07-19
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A non-natural nucleotide uses a specific pocket to selectively inhibit telomerase activity.
Plos Biol., 17, 2019
6EDC
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BU of 6edc by Molmil
hcGAS-16bp dsDNA complex
Descriptor: Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3'), ...
Authors:Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J.
Deposit date:2018-08-09
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.712 Å)
Cite:Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation.
Proc.Natl.Acad.Sci.USA, 116, 2019
8SWJ
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BU of 8swj by Molmil
Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
Descriptor: (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION
Authors:Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-05-18
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
To be published
8SZV
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BU of 8szv by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318
Descriptor: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
Authors:Huber, A.D, Poudel, S, Miller, D.J, Li, Y, Chen, T.
Deposit date:2023-05-30
Release date:2023-10-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand flexibility and binding pocket malleability cooperate to allow selective PXR activation by analogs of a promiscuous nuclear receptor ligand.
Structure, 31, 2023
8T8E
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BU of 8t8e by Molmil
cryoEM structure of Smc5/6 5mer
Descriptor: DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 6
Authors:Yu, Y, Patel, D.J.
Deposit date:2023-06-22
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions.
Proc.Natl.Acad.Sci.USA, 120, 2023
8T8F
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BU of 8t8f by Molmil
Smc5/6 8mer
Descriptor: DNA repair protein KRE29, Non-structural maintenance of chromosome element 4, Non-structural maintenance of chromosome element 5, ...
Authors:Yu, Y, Patel, D.J.
Deposit date:2023-06-22
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions.
Proc.Natl.Acad.Sci.USA, 120, 2023
8SXS
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BU of 8sxs by Molmil
Crystal structure of a Nudix hydrolase effector from Magnaporthe oryzae
Descriptor: Nudix hydrolase domain-containing protein
Authors:McCombe, C.L, Ericsson, D.J, Williams, S.J.
Deposit date:2023-05-23
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Plant pathogenic fungi hijack phosphate starvation signaling with conserved enzymatic effectors
Biorxiv, 2023
8T64
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BU of 8t64 by Molmil
Apo Cam1(42-206)
Descriptor: Cam1
Authors:Yu, Y, Patel, D.J.
Deposit date:2023-06-15
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The CRISPR effector Cam1 mediates membrane depolarization for phage defence.
Nature, 625, 2024
8T66
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BU of 8t66 by Molmil
cA6 bound Cam1
Descriptor: Cam1, RNA (5'-R(P*AP*AP*AP*AP*A)-3')
Authors:Yu, Y, Patel, D.J.
Deposit date:2023-06-15
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The CRISPR effector Cam1 mediates membrane depolarization for phage defence.
Nature, 625, 2024
8T65
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BU of 8t65 by Molmil
cA4 bound Cam1
Descriptor: Cam1, RNA (5'-R(P*AP*AP*AP*A)-3')
Authors:Yu, Y, Patel, D.J.
Deposit date:2023-06-15
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The CRISPR effector Cam1 mediates membrane depolarization for phage defence.
Nature, 625, 2024
6EDB
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BU of 6edb by Molmil
Crystal structure of SRY.hcGAS-21bp dsDNA complex
Descriptor: DNA (5'-D(*CP*GP*AP*TP*CP*CP*GP*GP*GP*AP*TP*CP*TP*AP*AP*AP*CP*AP*AP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*TP*TP*GP*TP*TP*TP*AP*GP*AP*TP*CP*CP*CP*GP*GP*AP*TP*C)-3'), Sex-determining region Y protein,Cyclic GMP-AMP synthase, ...
Authors:Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J.
Deposit date:2018-08-09
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.209 Å)
Cite:Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation.
Proc.Natl.Acad.Sci.USA, 116, 2019
6F0K
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BU of 6f0k by Molmil
Alternative complex III
Descriptor: ActD, ActF, ActH, ...
Authors:Sousa, J.S, Calisto, F, Mills, D.J, Pereira, M.M, Vonck, J, Kuehlbrandt, W.
Deposit date:2017-11-20
Release date:2018-05-09
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Structural basis for energy transduction by respiratory alternative complex III.
Nat Commun, 9, 2018

224572

数据于2024-09-04公开中

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