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8AVY
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BU of 8avy by Molmil
The ABCB1 L335C mutant (mABCB1) in the Apo state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ...
Authors:Parey, K, Januliene, D, Gewering, T, Moeller, A.
Deposit date:2022-08-27
Release date:2023-09-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
6SGX
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BU of 6sgx by Molmil
Structure of protomer 1 of the ESX-3 core complex
Descriptor: ESX-3 secretion system EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ...
Authors:Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S.
Deposit date:2019-08-05
Release date:2019-10-09
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Architecture of the mycobacterial type VII secretion system.
Nature, 576, 2019
6LMR
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BU of 6lmr by Molmil
Solution structure of cold shock domain and ssDNA complex
Descriptor: DNA (5'-D(P*AP*AP*CP*AP*CP*CP*T)-3'), Y-box-binding protein 1
Authors:Fan, J, Yang, D.
Deposit date:2019-12-26
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA binding to human YB-1 cold shock domain regulated by phosphorylation.
Nucleic Acids Res., 48, 2020
6EYF
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BU of 6eyf by Molmil
Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, GLYCEROL, ...
Authors:Brazzolotto, X, De la Mora, E, Dighe, S, Ross, B.
Deposit date:2017-11-12
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
6LNT
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BU of 6lnt by Molmil
Cryo-EM structure of immature Zika virus in complex with human antibody DV62.5 Fab
Descriptor: Envelope protein, Fab DV62.5 heavy-chain variable region, Fab DV62.5 light-chain variable region, ...
Authors:Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M.
Deposit date:2020-01-02
Release date:2020-02-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
6AUT
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BU of 6aut by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(Dimethylamino)propyl)-5-fluorophenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
3KAD
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BU of 3kad by Molmil
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Descriptor: 3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
8AKF
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BU of 8akf by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide
Descriptor: 1,2-ETHANEDIOL, 3-aminobenzamide, CHLORIDE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
4E36
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BU of 4e36 by Molmil
Crystal structure of the human Endoplasmic Reticulum Aminopeptidase 2 variant N392K
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Birtley, J.R, Saridakis, E, Pegias, P, Stratikos, E, Mavridis, I.M.
Deposit date:2012-03-09
Release date:2012-08-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:A common single nucleotide polymorphism in endoplasmic reticulum aminopeptidase 2 induces a specificity switch that leads to altered antigen processing.
J.Immunol., 189, 2012
6F12
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BU of 6f12 by Molmil
GLIC mutant E181A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-21
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6S8H
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BU of 6s8h by Molmil
Cryo-EM structure of LptB2FG in complex with LPS
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
Deposit date:2019-07-10
Release date:2019-09-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8N
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BU of 6s8n by Molmil
Cryo-EM structure of LptB2FGC in complex with lipopolysaccharide
Descriptor: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, Inner membrane protein yjgQ, ...
Authors:Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
Deposit date:2019-07-10
Release date:2019-09-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
3J46
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BU of 3j46 by Molmil
Structure of the SecY protein translocation channel in action
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L23P, ...
Authors:Akey, C.W, Park, E, Menetret, J.F, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A.
Deposit date:2013-06-18
Release date:2013-10-23
Last modified:2019-07-03
Method:ELECTRON MICROSCOPY (10.1 Å)
Cite:Structure of the SecY channel during initiation of protein translocation.
Nature, 506, 2013
3J5L
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BU of 3j5l by Molmil
Structure of the E. coli 50S subunit with ErmBL nascent chain
Descriptor: 23S ribsomal RNA, 5'-R(*CP*(MA6))-3', 5'-R(*CP*CP*A)-3', ...
Authors:Arenz, S, Ramu, H, Gupta, P, Berninghausen, O, Beckmann, R, Vazquez-Laslop, N, Mankin, A.S, Wilson, D.N.
Deposit date:2013-10-23
Release date:2014-03-26
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Molecular basis for erythromycin-dependent ribosome stalling during translation of the ErmBL leader peptide.
Nat Commun, 5, 2014
6BDL
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BU of 6bdl by Molmil
Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain in apo state
Descriptor: IMIDAZOLE, cGMP-dependent protein kinase 1
Authors:Qin, L, Sankaran, B, Kim, C.
Deposit date:2017-10-23
Release date:2018-10-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain
to be published
8ASL
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BU of 8asl by Molmil
RCII/PSI complex, class 2
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Zhao, Z, Vercellino, I, Knoppova, J, Sobotka, R, Murray, J.W, Nixon, P.J, Sazanov, L.A, Komenda, J.
Deposit date:2022-08-19
Release date:2023-08-16
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:The Ycf48 accessory factor occupies the site of the oxygen-evolving manganese cluster during photosystem II biogenesis.
Nat Commun, 14, 2023
6BE1
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BU of 6be1 by Molmil
Cryo-EM structure of serotonin receptor
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Basak, S, Chakrapani, S.
Deposit date:2017-10-24
Release date:2018-02-07
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:Cryo-EM structure of 5-HT
Nat Commun, 9, 2018
8AKD
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BU of 8akd by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 1-methyl-L-histidine
Descriptor: 4-METHYL-HISTIDINE, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AQY
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BU of 8aqy by Molmil
streptavidin mutant S112A with an iridium catalyst for CH activation
Descriptor: 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:2022-08-15
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:streptavidin mutant S112A with an iridium catalyst for CH activation
To Be Published
3EX8
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BU of 3ex8 by Molmil
Complex structure of bacillus subtilis RibG reduction mechanism in riboflavin biosynthesis
Descriptor: Riboflavin biosynthesis protein ribD, ZINC ION, [(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Authors:Chen, S.C, Lin, Y.H, Yu, H.C, Liaw, S.H.
Deposit date:2008-10-16
Release date:2008-11-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Complex structure of Bacillus subtilis RibG: the reduction mechanism during riboflavin biosynthesis.
J.Biol.Chem., 284, 2009
8AK6
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BU of 8ak6 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AK9
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BU of 8ak9 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment Isatin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
3FG4
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BU of 3fg4 by Molmil
Crystal structure of Delta413-417:GS I805A LOX
Descriptor: ACETIC ACID, ARACHIDONIC ACID, Allene oxide synthase-lipoxygenase protein, ...
Authors:Neau, D.B, Newcomer, M.E.
Deposit date:2008-12-04
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The 1.85 A structure of an 8R-lipoxygenase suggests a general model for lipoxygenase product specificity.
Biochemistry, 48, 2009
4E0S
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BU of 4e0s by Molmil
Crystal Structure of C5b-6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C5, ...
Authors:Aleshin, A.E, Stec, B, DiScipio, R, Liddington, R.C.
Deposit date:2012-03-05
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.21 Å)
Cite:Crystal structure of c5b-6 suggests structural basis for priming assembly of the membrane attack complex.
J.Biol.Chem., 287, 2012
8AKE
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BU of 8ake by Molmil
Human Sirt6 in complex with ADP-ribose and fragment nicotinamide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
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

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数据于2024-11-13公开中

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