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PDB: 336 results

5MJN
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BU of 5mjn by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide
Descriptor: 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2016-12-01
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:5-Substituted-benzylsulfanyl-thiophene-2-sulfonamides with effective carbonic anhydrase inhibitory activity: Solution and crystallographic investigations.
Bioorg. Med. Chem., 25, 2017
6S50
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BU of 6s50 by Molmil
scdSav(SARK)mv2 - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
Descriptor: GLYCEROL, SULFATE ION, Streptavidin, ...
Authors:Rebelein, J.G.
Deposit date:2019-06-29
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
6GHX
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BU of 6ghx by Molmil
Alzheimer's Amyloid-Beta Peptide Fragment 31-35 in Complex with Cd-substituted Thermolysin
Descriptor: CADMIUM ION, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Leite, J.P, Gales, L.
Deposit date:2018-05-09
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.156 Å)
Cite:Alzheimer's A beta1-40peptide degradation by thermolysin: evidence of inhibition by a C-terminal A beta product.
FEBS Lett., 593, 2019
8CO0
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BU of 8co0 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-02-25
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
8CO3
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BU of 8co3 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 12, ZINC ION
Authors:Leitans, J, Dvinskis, E, Tars, K.
Deposit date:2023-02-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
6S4Q
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BU of 6s4q by Molmil
scdSav(SASK) - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
Descriptor: GLYCEROL, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Rebelein, J.G.
Deposit date:2019-06-28
Release date:2019-09-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
6TL6
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BU of 6tl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, GLYCEROL, ZINC ION, ...
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6TL5
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BU of 6tl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
5O7B
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BU of 5o7b by Molmil
CRYSTAL STRUCTURE OF THE SLR0328 TYROSINE PHOSPHATASE WZB FROM SYNECHOCYSTIS SP. PCC 6803
Descriptor: Putative low molecular weight protein-tyrosine-phosphatase slr0328
Authors:Leite, J.P, Gales, L.
Deposit date:2017-06-08
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:The role of the tyrosine kinase Wzc (Sll0923) and the phosphatase Wzb (Slr0328) in the production of extracellular polymeric substances (EPS) by Synechocystis PCC 6803.
Microbiologyopen, 2019
3J2A
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BU of 3j2a by Molmil
Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM
Descriptor: 16S rRNA
Authors:Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N.
Deposit date:2012-09-28
Release date:2013-01-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (13.1 Å)
Cite:Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process
Nucleic Acids Res., 41, 2013
4V6K
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BU of 4v6k by Molmil
Structural insights into cognate vs. near-cognate discrimination during decoding.
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Agirrezabala, X, Schreiner, E, Trabuco, L.G, Lei, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J.
Deposit date:2011-01-07
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (8.25 Å)
Cite:Structural insights into cognate versus near-cognate discrimination during decoding.
Embo J., 30, 2011
4V6L
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BU of 4v6l by Molmil
Structural insights into cognate vs. near-cognate discrimination during decoding.
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Agirrezabala, X, Schreiner, E, Trabuco, L.G, Lei, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J.
Deposit date:2011-01-07
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (13.2 Å)
Cite:Structural insights into cognate versus near-cognate discrimination during decoding.
Embo J., 30, 2011
8Z1L
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BU of 8z1l by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant atomoxetine in an outward-open state at resolution of 3.4 angstrom.
Descriptor: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, Sodium-dependent noradrenaline transporter
Authors:Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
Deposit date:2024-04-11
Release date:2024-07-31
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
8JOP
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BU of 8jop by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 11a
Descriptor: 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate
Authors:Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J.
Deposit date:2023-06-08
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease.
Bioorg.Med.Chem.Lett., 92, 2023
8IZT
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BU of 8izt by Molmil
Crystal structure of the N-terminal domain (residues 1-121) of MPXV A7
Descriptor: Virion morphogenesis protein OPG132, ZINC ION
Authors:Ni, X.C, Lei, J.
Deposit date:2023-04-08
Release date:2024-04-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural analysis of conformational changes in the mpox virus A7 protein.
Virol Sin, 39, 2024
8IZU
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BU of 8izu by Molmil
Crystal structure of the N-terminal domain (residues 1-137) of MPXV A7
Descriptor: GLYCEROL, NICKEL (II) ION, Virion morphogenesis protein OPG132
Authors:Ni, X.C, Lei, J.
Deposit date:2023-04-08
Release date:2024-04-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural analysis of conformational changes in the mpox virus A7 protein.
Virol Sin, 39, 2024
8J3I
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BU of 8j3i by Molmil
Crystal structure of (S)-scoulerine 9-O-methyltransferase from Coptis chinensis
Descriptor: (S)-scoulerine 9-O-methyltransferase
Authors:Li, X.H, Su, D, Lei, J.H.
Deposit date:2023-04-16
Release date:2024-10-23
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal structure of (S)-scoulerine 9-O-methyltransferase from Coptis chinensis
To Be Published
6M49
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BU of 6m49 by Molmil
cryo-EM structure of Scap/Insig complex in the present of 25-hydroxyl cholesterol.
Descriptor: 25-HYDROXYCHOLESTEROL, Insulin-induced gene 2 protein, Sterol regulatory element-binding protein cleavage-activating protein,Sterol regulatory element-binding protein cleavage-activating protein
Authors:Yan, R, Cao, P, Song, W, Qian, H, Du, X, Coates, H.W, Zhao, X, Li, Y, Gao, S, Gong, X, Liu, X, Sui, J, Lei, J, Yang, H, Brown, A.J, Zhou, Q, Yan, C, Yan, N.
Deposit date:2020-03-06
Release date:2021-01-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A structure of human Scap bound to Insig-2 suggests how their interaction is regulated by sterols.
Science, 371, 2021
7XXK
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BU of 7xxk by Molmil
Crystal structure of SARS-CoV-2 N-CTD in complex with GMP
Descriptor: CHLORIDE ION, GUANINE, GUANOSINE, ...
Authors:Zhou, R.J, Ni, X.C, Lei, J.
Deposit date:2022-05-30
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of SARS-CoV-2 N-CTD in complex with GMP
To Be Published
7WSW
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BU of 7wsw by Molmil
Cryo-EM structure of the Potassium channel AKT1 from Arabidopsis thaliana
Descriptor: PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, Potassium channel AKT1
Authors:Yang, G.H, Lu, Y.M, Zhang, Y.M, Jia, Y.T, Li, X.M, Lei, J.L.
Deposit date:2022-02-02
Release date:2022-11-09
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022
7WZO
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BU of 7wzo by Molmil
Crystal structure of the SARS-CoV-2 nucleocapsid protein N-terminal domain in complex with Ubl1
Descriptor: Nucleoprotein, nsp3
Authors:Ni, X.C, Zhou, R.J, Lei, J.
Deposit date:2022-02-18
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural insights into ribonucleoprotein dissociation by nucleocapsid protein interacting with non-structural protein 3 in SARS-CoV-2.
Commun Biol, 6, 2023
6LGM
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BU of 6lgm by Molmil
Crystal structure of an oxido-reductase with mutation and inhibitor
Descriptor: Dimethyl fumarate, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yang, Y, Lei, J, Yin, L.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an oxido-reductase with mutation and inhibitor
To Be Published
6LQG
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BU of 6lqg by Molmil
Human gamma-secretase in complex with small molecule Avagacestat
Descriptor: (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
Deposit date:2020-01-13
Release date:2021-01-27
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
6LR4
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BU of 6lr4 by Molmil
Molecular basis for inhibition of human gamma-secretase by small molecule
Descriptor: (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
Deposit date:2020-01-15
Release date:2021-01-27
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
7XUF
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BU of 7xuf by Molmil
Cryo-EM structure of the AKT1-AtKC1 complex from Arabidopsis thaliana
Descriptor: POTASSIUM ION, Potassium channel AKT1, Potassium channel KAT3
Authors:Yang, G.H, Lu, Y.M, Jia, Y.T, Yang, F, Zhang, Y.M, Xu, X, Li, X.M, Lei, J.L.
Deposit date:2022-05-18
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022

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