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5X2S
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BU of 5x2s by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 4 mM bezafibrate pH 6.5.
Descriptor: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
8BHA
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BU of 8bha by Molmil
GABA-A receptor a5 homomer - a5V3 - Basmisanil - HR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Basmisanil, Gamma-aminobutyric acid receptor subunit alpha-5
Authors:Malinauskas, T.M, Wahid, A.A, Hardwick, S.W, Chirgadze, D.Y, Miller, P.S.
Deposit date:2022-10-30
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHR
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BU of 8bhr by Molmil
GABA-A receptor a5 homomer - a5V3 - RO7015738
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide, Gamma-aminobutyric acid receptor subunit alpha-5
Authors:Miller, P.S, Malinauskas, T.M, Kasaragod, V.B.
Deposit date:2022-10-31
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
5X3X
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BU of 5x3x by Molmil
2.8A resolution structure of a cobalt energy-coupling factor transporter-CbiMQO
Descriptor: Cobalt ABC transporter ATP-binding protein, Cobalt transport protein CbiM, Uncharacterized protein CbiQ
Authors:Bao, Z, Qi, X, Wang, J, Zhang, P.
Deposit date:2017-02-09
Release date:2017-04-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.788 Å)
Cite:Structure and mechanism of a group-I cobalt energy coupling factor transporter
Cell Res., 27, 2017
6OB6
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BU of 6ob6 by Molmil
Human equilibrative nucleoside transporter-1, S-(4-nitrobenzyl)-6-thioinosine bound, merohedrally twinned
Descriptor: 6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine, Equilibrative nucleoside transporter 1
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2019-03-19
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of human ENT1 in complex with adenosine reuptake inhibitors.
Nat.Struct.Mol.Biol., 26, 2019
6OB7
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BU of 6ob7 by Molmil
Human equilibrative nucleoside transporter-1, dilazep bound
Descriptor: (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate), (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Equilibrative nucleoside transporter 1
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2019-03-19
Release date:2019-07-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of human ENT1 in complex with adenosine reuptake inhibitors.
Nat.Struct.Mol.Biol., 26, 2019
6OEV
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BU of 6oev by Molmil
Structure of human Patched1 in complex with native Sonic Hedgehog
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1, ...
Authors:Qi, X, Li, X.
Deposit date:2019-03-27
Release date:2019-04-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of human Patched and its complex with native palmitoylated sonic hedgehog.
Nature, 560, 2018
8BL0
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BU of 8bl0 by Molmil
Human Sirt6 in complex with the inhibitor S6023 and ADP-ribose
Descriptor: 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-11-09
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6OGG
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BU of 6ogg by Molmil
70S termination complex with RF2 bound to the UGA codon. Rotated ribosome with RF2 bound (Structure IV).
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Demo, G, Loveland, A.B, Xu, C, Korostelev, A.A.
Deposit date:2019-04-02
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Extensive ribosome and RF2 rearrangements during translation termination.
Elife, 8, 2019
8BL1
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BU of 8bl1 by Molmil
Human Sirt6 in complex with the inhibitor S6039 and ADP-ribose
Descriptor: 2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-11-09
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8BM3
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BU of 8bm3 by Molmil
H207A mutant of E. coli PgpB, a PAP2 type phosphatidyl glycerol phosphate and C55-PP phosphatase, in complex with farnesyl pyrophosphate
Descriptor: FARNESYL DIPHOSPHATE, Phosphatidylglycerophosphatase B
Authors:Delbrassine, F, El Ghachi, M, Lambion, A, Herman, R, Kerff, F.
Deposit date:2022-11-10
Release date:2023-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:H207A mutant of E. coli PgpB, a PAP2 type phosphatidyl glycerol phosphate and C55-PP phosphatase, in complex with farnesyl pyrophosphate
To Be Published
6O7I
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BU of 6o7i by Molmil
Cryo-EM structure of Csm-crRNA-target RNA ternary bigger complex in complex with cA4 in type III-A CRISPR-Cas system
Descriptor: CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), Csm2, Csm3, ...
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Second Messenger cA4Formation within the Composite Csm1 Palm Pocket of Type III-A CRISPR-Cas Csm Complex and Its Release Path.
Mol.Cell, 75, 2019
6O7V
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BU of 6o7v by Molmil
Saccharomyces cerevisiae V-ATPase Stv1-V1VO State 1
Descriptor: Putative protein YPR170W-B, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L.
Deposit date:2019-03-08
Release date:2019-04-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6OOM
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BU of 6oom by Molmil
PROTEIN A
Descriptor: LAURYL DIMETHYLAMINE-N-OXIDE, Multidrug transporter MdfA, PRASEODYMIUM ION
Authors:Lu, M.
Deposit date:2019-04-23
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of an engineered multidrug transporter MdfA reveals the molecular basis for substrate recognition.
Commun Biol, 2, 2019
8BS4
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BU of 8bs4 by Molmil
Crystal structure of YTHDF1 YTH domain dimer
Descriptor: ACETATE ION, GLYCEROL, YTH domain-containing family protein 1
Authors:Bedi, R.K, Caflisch, A.
Deposit date:2022-11-24
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of YTHDF1 YTH domain dimer
To Be Published
8BS6
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BU of 8bs6 by Molmil
Crystal structure of YTHDF3 disulfide mutant (closed conformation)
Descriptor: YTH domain-containing family protein 3
Authors:Bedi, R.K, Li, Y, Caflisch, A.
Deposit date:2022-11-24
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of YTHDF3 disulfide mutant (closed conformation)
To Be Published
5F5J
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BU of 5f5j by Molmil
E.coli GlpG Y205F mutant complexed with aldehyde inhibitor in DMPC/CHAPSO bicelle
Descriptor: Rhomboid protease GlpG, peptidic derivative of Gurken: ACE-VAL-ARG-MET-ALA-aldehyde
Authors:Urban, S, Cho, S, Dickey, S.
Deposit date:2015-12-04
Release date:2016-02-10
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures and Inhibition Kinetics Reveal a Two-Stage Catalytic Mechanism with Drug Design Implications for Rhomboid Proteolysis.
Mol.Cell, 61, 2016
5XH3
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BU of 5xh3 by Molmil
Crystal structure of a novel PET hydrolase R103G/S131A mutant in complex with HEMT from Ideonella sakaiensis 201-F6
Descriptor: GLYCEROL, O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate, Poly(ethylene terephthalate) hydrolase, ...
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2017-04-19
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural insight into catalytic mechanism of PET hydrolase
Nat Commun, 8, 2017
5X79
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BU of 5x79 by Molmil
Human GST Pi conjugated with novel inhibitor, GS-ESF
Descriptor: (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase P
Authors:Tomoike, F, Shishido, Y, Fukui, K, Kimura, Y, Abe, H.
Deposit date:2017-02-24
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1).
Chem. Commun. (Camb.), 53, 2017
8BS5
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BU of 8bs5 by Molmil
Crystal structure of YTHDF3 YTH domain open conformation
Descriptor: DI(HYDROXYETHYL)ETHER, L(+)-TARTARIC ACID, YTH domain-containing family protein 3
Authors:Bedi, R.K, Caflisch, A.
Deposit date:2022-11-24
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal structure of YTHDF3 YTH domain open conformation
To Be Published
6OEP
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BU of 6oep by Molmil
Cryo-EM structure of mouse RAG1/2 12RSS-NFC/23RSS-PRC complex (DNA1)
Descriptor: CALCIUM ION, DNA (46-MER), DNA (57-MER), ...
Authors:Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
8BY1
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BU of 8by1 by Molmil
streptavidin with an iridium catalyst for CH activation
Descriptor: SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2022-12-11
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
8BY0
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BU of 8by0 by Molmil
streptavidin mutant S112I K121R with an iridium catalyst for CH activation
Descriptor: SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2022-12-11
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
6OH3
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BU of 6oh3 by Molmil
X-ray crystal structure of the mouse CMP-sialic acid transporter in complex with CMP-sialic acid, by lipidic cubic phase
Descriptor: CMP-sialic acid transporter, CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID
Authors:Ahuja, S, Whorton, M.R.
Deposit date:2019-04-04
Release date:2019-04-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for mammalian nucleotide sugar transport.
Elife, 8, 2019
6OSK
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BU of 6osk by Molmil
RF1 accommodated 70S complex at 60 ms
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
Deposit date:2019-05-01
Release date:2019-06-26
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019

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數據於2024-07-31公開中

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