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6B7N
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BU of 6b7n by Molmil
Cryo-electron microscopy structure of porcine delta coronavirus spike protein in the pre-fusion state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shang, J, Zheng, Y, Yang, Y, Liu, C, Geng, Q, Tai, W, Du, L, Zhou, Y, Zhang, W, Li, F.
Deposit date:2017-10-04
Release date:2017-10-25
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-Electron Microscopy Structure of Porcine Deltacoronavirus Spike Protein in the Prefusion State
J. Virol., 92, 2018
6RV3
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BU of 6rv3 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ...
Authors:Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-05-30
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
6RV2
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BU of 6rv2 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ...
Authors:Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-05-30
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
4I5M
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BU of 4i5m by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2
Authors:Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M.
Deposit date:2012-11-28
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
6U9I
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BU of 6u9i by Molmil
Crystal structure of BvnE pinacolase from Penicillium brevicompactum
Descriptor: BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL
Authors:Ye, Y, Du, L, Zhang, X, Newmister, S.A, McCauley, M, Alegre-Requena, J.V, Zhang, W, Mu, S, Minami, A, Fraley, A.E, Adrover-Castellano, M.L, Carney, N, Shende, V.V, Oikawa, H, Kato, H, Tsukamoto, S, Paton, R.S, Williams, R.M, Sherman, D.H, Li, S.
Deposit date:2019-09-09
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.777 Å)
Cite:Fungal-derived brevianamide assembly by a stereoselective semipinacolase.
Nat Catal, 3, 2020
3RTP
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BU of 3rtp by Molmil
Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration
Descriptor: Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide
Authors:Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I.
Deposit date:2011-05-03
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
1RWT
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BU of 1rwt by Molmil
Crystal Structure of Spinach Major Light-harvesting complex at 2.72 Angstrom Resolution
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Liu, Z, Yan, H, Wang, K, Kuang, T, Zhang, J, Gui, L, An, X, Chang, W.
Deposit date:2003-12-17
Release date:2004-03-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of spinach major light-harvesting complex at 2.72 A resolution
Nature, 428, 2004
6NWP
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BU of 6nwp by Molmil
Chronic traumatic encephalopathy Type I Tau filament
Descriptor: Microtubule-associated protein tau
Authors:Falcon, B, Zivanov, J, Zhang, W, Murzin, A.G, Garringer, H.J, Vidal, R, Crowther, R.A, Newell, K.L, Ghetti, B, Goedert, M, Scheres, H.W.
Deposit date:2019-02-07
Release date:2019-03-27
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Novel tau filament fold in chronic traumatic encephalopathy encloses hydrophobic molecules.
Nature, 568, 2019
6NWQ
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BU of 6nwq by Molmil
Chronic traumatic encephalopathy Type II Tau filament
Descriptor: Microtubule-associated protein tau
Authors:Falcon, B, Zivanov, J, Zhang, W, Murzin, A.G, Garringer, H.J, Vidal, R, Crowther, R.A, Newell, K.L, Ghetti, B, Goedert, M, Scheres, H.W.
Deposit date:2019-02-07
Release date:2019-03-27
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Novel tau filament fold in chronic traumatic encephalopathy encloses hydrophobic molecules.
Nature, 568, 2019
3MEX
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BU of 3mex by Molmil
Crystal structure of MexR in oxidized state
Descriptor: Multidrug resistance operon repressor
Authors:Chen, H, Yi, C, Zhang, J, Zhang, W, Yang, C.-G, He, C.
Deposit date:2010-04-01
Release date:2010-07-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into the oxidation-sensing mechanism of the antibiotic resistance of regulator MexR
Embo Rep., 11, 2010
6OWL
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BU of 6owl by Molmil
RNA oligonucleotides with 3'-arabino guanosine co-crystallized with GMP
Descriptor: RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*R)-3'), RNA (5'-R(P*G)-3')
Authors:Szostak, J.W, Kim, S, Zhang, W.
Deposit date:2019-05-10
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Model for the Emergence of RNA from a Prebiotically Plausible Mixture of Ribonucleotides, Arabinonucleotides, and 2'-Deoxynucleotides.
J.Am.Chem.Soc., 142, 2020
6HRF
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BU of 6hrf by Molmil
Straight filament from sporadic Alzheimer's disease brain
Descriptor: Microtubule-associated protein tau
Authors:Falcon, B, Zhang, W, Schweighauser, M, Murzin, A.G, Vidal, R, Garringer, H.J, Ghetti, B, Scheres, S.H.W, Goedert, M.
Deposit date:2018-09-26
Release date:2018-10-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tau filaments from multiple cases of sporadic and inherited Alzheimer's disease adopt a common fold.
Acta Neuropathol., 136, 2018
6HRE
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BU of 6hre by Molmil
Paired helical filament from sporadic Alzheimer's disease brain
Descriptor: Microtubule-associated protein tau
Authors:Falcon, B, Zhang, W, Schweighauser, M, Murzin, A.G, Vidal, R, Garringer, H.J, Ghetti, B, Scheres, S.H.W, Goedert, M.
Deposit date:2018-09-26
Release date:2018-10-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Tau filaments from multiple cases of sporadic and inherited Alzheimer's disease adopt a common fold.
Acta Neuropathol., 136, 2018
9J56
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BU of 9j56 by Molmil
Functional Investigation of the SAM-Dependent Methyltransferases Rdmb in Anthracycline Biosynthesis
Descriptor: (7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione, Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yang, Q.Y, Sang, M.L, Zhang, W.
Deposit date:2024-08-11
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional investigation of the SAM-dependent methyltransferase RdmB in anthracycline biosynthesis.
Synth Syst Biotechnol, 10, 2025
6GX5
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BU of 6gx5 by Molmil
Narrow Pick Filament from Pick's disease brain
Descriptor: Microtubule-associated protein tau
Authors:Falcon, B, Zhang, W, Murzin, A.G, Murshudov, G, Garringer, H.J, Vidal, R, Crowther, R.A, Ghetti, B, Scheres, S.H.W, Goedert, M.
Deposit date:2018-06-26
Release date:2018-09-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of filaments from Pick's disease reveal a novel tau protein fold.
Nature, 561, 2018
5HTP
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BU of 5htp by Molmil
Putative sugar kinases from Synechococcus elongatus PCC7942 in complex with AMPPNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable sugar kinase
Authors:Xie, Y, Li, M, Chang, W.
Deposit date:2016-01-27
Release date:2016-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
4X3P
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BU of 4x3p by Molmil
Sirt2 in complex with a myristoyl peptide
Descriptor: 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Wang, Y, Zhang, W, Hao, Q.
Deposit date:2014-12-01
Release date:2016-01-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
5HTV
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BU of 5htv by Molmil
Putative sugar kinases from Arabidopsis thaliana in complex with AMPPNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Putative xylulose kinase
Authors:Xie, Y, Li, M, Chang, W.
Deposit date:2016-01-27
Release date:2016-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
3KQ8
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BU of 3kq8 by Molmil
5-Te-uridine derivatized DNA-8mer
Descriptor: 5'-D(*GP*(UMS)P*GP*(TTI)P*AP*CP*AP*C)-3', MAGNESIUM ION
Authors:Sheng, J, Hassan, A.E.A, Zhang, W, Huang, Z.
Deposit date:2009-11-17
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Synthesis and Structure studies of 5-Tellurium modified DNA
To be Published
5HTJ
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BU of 5htj by Molmil
Putative sugar kinases from Synechococcus elongatus PCC7942-D8A
Descriptor: Probable sugar kinase
Authors:Xie, Y, Li, M, Chang, W.
Deposit date:2016-01-26
Release date:2016-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
5HV7
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BU of 5hv7 by Molmil
Putative sugar kinases from Synechococcus elongatus PCC7942 in complex with D-ribulose
Descriptor: D-ribulose, Probable sugar kinase
Authors:Xie, Y, Li, M, Chang, W.
Deposit date:2016-01-28
Release date:2016-06-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
5HTN
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BU of 5htn by Molmil
putative sugar kinases from Synechococcus elongatus PCC7942-apo form
Descriptor: Probable sugar kinase
Authors:Xie, Y, Li, M, Chang, W.
Deposit date:2016-01-27
Release date:2016-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
5HTX
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BU of 5htx by Molmil
Putative sugar kinases from Arabidopsis thaliana in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Putative xylulose kinase
Authors:Xie, Y, Li, M, Chang, W.
Deposit date:2016-01-27
Release date:2016-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.492 Å)
Cite:Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
8HCZ
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BU of 8hcz by Molmil
N-terminal domain structure of mycobacterium tuberculosis FadD23
Descriptor: Long-chain-fatty-acid--AMP ligase FadD23
Authors:Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
Deposit date:2022-11-03
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
8HDF
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BU of 8hdf by Molmil
Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM
Descriptor: Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023

238895

数据于2025-07-16公开中

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