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7P7M
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BU of 7p7m by Molmil
Complex I from E. coli, DDM/LMNG-purified, inhibited by Piericidin A, Open state
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, EICOSANE, ...
Authors:Kravchuk, V, Kampjut, D, Sazanov, L.
Deposit date:2021-07-19
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
7P7K
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BU of 7p7k by Molmil
Complex I from E. coli, DDM/LMNG-purified, with DQ, Resting state
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, EICOSANE, ...
Authors:Kravchuk, V, Kampjut, D, Sazanov, L.
Deposit date:2021-07-19
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
5GKY
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BU of 5gky by Molmil
Structure of RyR1 in a closed state (C1 conformer)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION
Authors:Bai, X.C, Yan, Z, Wu, J.P, Yan, N.
Deposit date:2016-07-07
Release date:2016-08-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The Central domain of RyR1 is the transducer for long-range allosteric gating of channel opening
Cell Res., 26, 2016
8PVD
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BU of 8pvd by Molmil
Structure of catalase determined by cryoEM at 100 keV
Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J.
Deposit date:2023-07-17
Release date:2023-11-29
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure determination by cryoEM at 100 keV.
Proc.Natl.Acad.Sci.USA, 120, 2023
7P19
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BU of 7p19 by Molmil
Crystal structure of SARS-CoV-2 RBD Q498Y complexed with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Erausquin, E, Lopez-Sagaseta, J.
Deposit date:2021-07-01
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural bases for the higher adherence to ACE2 conferred by the SARS-CoV-2 spike Q498Y substitution.
Acta Crystallogr D Struct Biol, 78, 2022
7P0Q
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BU of 7p0q by Molmil
F(M197)H mutant structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (100K, 26keV)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ...
Authors:Gabdulkhakov, A.G, Selikhanov, G.K, Guenther, S, Meents, A, Fufina, T.Y, Vasilieva, L.G.
Deposit date:2021-06-30
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:X-Ray structure of Rhodobacter sphaeroides reaction center with M197 Phe-His substitution clarifies properties of the mutant complex
To Be Published
4IPM
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BU of 4ipm by Molmil
Crystal structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with thiocellobiose
Descriptor: ACETATE ION, CALCIUM ION, GH7 family protein, ...
Authors:McGeehan, J.E, Martin, R.N.A, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J.
Deposit date:2013-01-10
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance.
Proc.Natl.Acad.Sci.USA, 110, 2013
8Q2W
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BU of 8q2w by Molmil
Crystal structure of YTHDC1 in complex with Compound 8 (CS_01)
Descriptor: 2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
4IP7
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BU of 4ip7 by Molmil
Structure of the S12D variant of human liver pyruvate kinase in complex with citrate and FBP.
Descriptor: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2013-01-09
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013
5GR7
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BU of 5gr7 by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-1
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ...
Authors:Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
Deposit date:2016-08-08
Release date:2017-06-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
8Q2Q
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BU of 8q2q by Molmil
Crystal structure of YTHDC1 in complex with Compound 2b (YL_32)
Descriptor: 2-chloranyl-~{N},9-dimethyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Li, Y, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q32
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BU of 8q32 by Molmil
Crystal structure of YTHDC1 in complex with Compound 13 (ZA_364)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4U
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BU of 8q4u by Molmil
Crystal structure of YTHDC1 in complex with Compound 36 (ZA_540b)
Descriptor: 9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
4IO9
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BU of 4io9 by Molmil
Crystal structure of compound 4d bound to large ribosomal subunit (50S) from Deinococcus radiodurans
Descriptor: (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate, 23S ribosomal RNA, 50S ribosomal protein L11, ...
Authors:Han, S, Marr, E.S.
Deposit date:2013-01-07
Release date:2013-03-06
Last modified:2013-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates.
Bioorg.Med.Chem.Lett., 23, 2013
5EBL
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BU of 5ebl by Molmil
KcsA T75G in the Conductive State
Descriptor: Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ...
Authors:Matulef, K, Valiyaveetil, F.I.
Deposit date:2015-10-19
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation.
Structure, 24, 2016
8Q38
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BU of 8q38 by Molmil
Crystal structure of YTHDC1 in complex with Compound 19 (ZA_347)
Descriptor: SULFATE ION, YTH domain-containing protein 1, methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4Q
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BU of 8q4q by Molmil
Crystal structure of YTHDC1 in complex with Compound 29 (ZA_337)
Descriptor: 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4R
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BU of 8q4r by Molmil
Crystal structure of YTHDC1 in complex with Compound 30 (ZA_326)
Descriptor: SULFATE ION, YTH domain-containing protein 1, [4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
4ID5
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BU of 4id5 by Molmil
HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site
Descriptor: 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-11
Release date:2013-02-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
7P0W
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BU of 7p0w by Molmil
Crystal structure of a trapped Pab-AGOG/double-standed DNA covalent intermediate (DNA containing thymine opposite to lesion)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*(PED)P*TP*TP*TP*CP*T)-3'), ...
Authors:Coste, F, Goffinont, S, Flament, D, Castaing, B.
Deposit date:2021-06-30
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
7OXE
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BU of 7oxe by Molmil
Crystal structure of the KDEL receptor bound to HDEF peptide at pH 6.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ER lumen protein-retaining receptor 2, THR-ALA-GLU-HIS-ASP-GLU-PHE
Authors:Newstead, S, Parker, J.L.
Deposit date:2021-06-22
Release date:2022-07-13
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.283 Å)
Cite:Molecular basis for pH sensing in the KDEL trafficking receptor.
Structure, 32, 2024
4I9B
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BU of 4i9b by Molmil
Structure of aminoaldehyde dehydrogenase 1 from Solanum lycopersium (SlAMADH1) with a thiohemiacetal intermediate
Descriptor: (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A, Kopecny, D.
Deposit date:2012-12-05
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Plant ALDH10 family: identifying critical residues for substrate specificity and trapping a thiohemiacetal intermediate.
J.Biol.Chem., 288, 2013
8R41
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BU of 8r41 by Molmil
Structure of CHI3L1 in complex with inhibitor 1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
Authors:Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M.
Deposit date:2023-11-10
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1.
J.Med.Chem., 67, 2024
7RHK
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BU of 7rhk by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-trapped closed state
Descriptor: (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ...
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
4I9W
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BU of 4i9w by Molmil
Human two pore domain K+ channel TRAAK (K2P4.1) - Fab complex structure
Descriptor: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ...
Authors:Brohawn, S.G, Mackinnon, R.
Deposit date:2012-12-05
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Domain-swapped chain connectivity and gated membrane access in a Fab-mediated crystal of the human TRAAK K+ channel.
Proc.Natl.Acad.Sci.USA, 110, 2013

224572

數據於2024-09-04公開中

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