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6W0K
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BU of 6w0k by Molmil
HBV D78S mutant capsid
Descriptor: Capsid protein
Authors:Zhao, Z, Wang, J, Zlotnick, A.
Deposit date:2020-03-01
Release date:2020-09-30
Last modified:2020-12-30
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
6OTS
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BU of 6ots by Molmil
Rat ERK2 E320K
Descriptor: Mitogen-activated protein kinase 1
Authors:Taylor, C.A, Cormier, K.W, Juang, Y.-C, Goldsmith, E.J, Cobb, M.H.
Deposit date:2019-05-03
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
7FJN
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BU of 7fjn by Molmil
Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
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
6QN3
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BU of 6qn3 by Molmil
Structure of the Glutamine II Riboswitch
Descriptor: BROMIDE ION, GLUTAMINE, MAGNESIUM ION, ...
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2019-02-08
Release date:2019-06-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and ligand binding of the glutamine-II riboswitch.
Nucleic Acids Res., 47, 2019
1TV6
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BU of 1tv6 by Molmil
HIV-1 Reverse Transcriptase Complexed with CP-94,707
Descriptor: 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE, reverse transcriptase p51 subunit, reverse transcriptase p66 subunit
Authors:Pata, J.D, Stirtan, W.G, Goldstein, S.W, Steitz, T.A.
Deposit date:2004-06-28
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of HIV-1 reverse transcriptase bound to an inhibitor active against mutant RTs resistant to other non-nucleoside inhibitors
Proc.Natl.Acad.Sci.USA, 101, 2004
5O77
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BU of 5o77 by Molmil
Klebsiella pneumoniae OmpK35
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, OmpK35
Authors:van den berg, B, Pathania, M, Zahn, M.
Deposit date:2017-06-08
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
7L9P
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BU of 7l9p by Molmil
Structure of human SHLD2-SHLD3-REV7-TRIP13(E253Q) complex
Descriptor: Mitotic spindle assembly checkpoint protein MAD2B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pachytene checkpoint protein 2 homolog, ...
Authors:Xie, W, Patel, D.J.
Deposit date:2021-01-04
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
5HW4
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BU of 5hw4 by Molmil
Crystal structure of Escherichia coli 16S rRNA methyltransferase RsmI in complex with AdoMet
Descriptor: Ribosomal RNA small subunit methyltransferase I, S-ADENOSYLMETHIONINE
Authors:Zhao, M, Zhang, H, Dong, Y, Gong, Y.
Deposit date:2016-01-28
Release date:2016-10-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.211 Å)
Cite:Structural Insights into the Methylation of C1402 in 16S rRNA by Methyltransferase RsmI
Plos One, 11, 2016
6JZO
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BU of 6jzo by Molmil
Structure of the mouse TRPC4 ion channel
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Duan, J, Li, Z, Li, J, Zhang, J.
Deposit date:2019-05-03
Release date:2020-10-21
Last modified:2021-05-05
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structure of the mouse TRPC4 ion channel
To Be Published
7FJS
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BU of 7fjs by Molmil
Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
1T8X
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BU of 1t8x by Molmil
r106g kdo8ps with pep and a5p
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, CADMIUM ION, ...
Authors:Gatti, D.L.
Deposit date:2004-05-13
Release date:2005-06-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
1T99
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BU of 1t99 by Molmil
r106g kdo8ps without substrates
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION
Authors:Gatti, D.L.
Deposit date:2004-05-16
Release date:2005-06-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
3C7T
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BU of 3c7t by Molmil
Crystal structure of the ecdysone phosphate phosphatase, EPPase, from Bombix mori in complex with tungstate
Descriptor: CHLORIDE ION, Ecdysteroid-phosphate phosphatase, IODIDE ION, ...
Authors:Chen, Y, Carpino, N, Nassar, N.
Deposit date:2008-02-08
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and functional characterization of the c-terminal domain of the ecdysteroid phosphate phosphatase from Bombyx mori reveals a new enzymatic activity.
Biochemistry, 47, 2008
6AGH
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BU of 6agh by Molmil
Crystal structure of EFHA1 in Apo-State
Descriptor: Calcium uptake protein 2, mitochondrial
Authors:Yangfei, X, Xue, Y, Yuequan, S.
Deposit date:2018-08-11
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.742 Å)
Cite:Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter.
Cell Rep, 26, 2019
6AGJ
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BU of 6agj by Molmil
Crystal Structure of EFHA2 in Apo State
Descriptor: Calcium uptake protein 3, mitochondrial
Authors:Yangfei, X, Xue, Y, Yuequan, S.
Deposit date:2018-08-11
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter.
Cell Rep, 26, 2019
6E5U
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BU of 6e5u by Molmil
Crystal structure of the mRNA export receptor NXF1/NXT1 in complex with influenza virus NS1 protein
Descriptor: NTF2-related export protein 1, Non-structural protein 1, Nuclear RNA export factor 1
Authors:Xie, Y, Ren, Y.
Deposit date:2018-07-23
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis for influenza virus NS1 protein block of mRNA nuclear export.
Nat Microbiol, 4, 2019
5ZVT
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BU of 5zvt by Molmil
Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly
Descriptor: C-terminus of outer capsid protein VP5, Core protein VP6, MYRISTIC ACID, ...
Authors:Liu, H, Fang, Q, Cheng, L.
Deposit date:2018-05-12
Release date:2018-07-04
Last modified:2018-07-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AGI
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BU of 6agi by Molmil
Crystal Structure of EFHA2 in Ca-binding State
Descriptor: CALCIUM ION, Calcium uptake protein 3, mitochondrial, ...
Authors:Yangfei, X, Xue, Y, Yuequan, S.
Deposit date:2018-08-11
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter.
Cell Rep, 26, 2019
7YIR
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BU of 7yir by Molmil
Crystal structure of N-terminal PH domain of ARAP3 protein from human
Descriptor: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3, DI(HYDROXYETHYL)ETHER
Authors:Zhang, Y.J, Liu, Y.R, Wu, B.
Deposit date:2022-07-18
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3.
Int J Mol Sci, 24, 2023
7YIS
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BU of 7yis by Molmil
Crystal structure of N-terminal PH domain of ARAP3 protein in complex with inositol 1,3,4,5-tetrakisphosphate
Descriptor: (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
Authors:Zhang, Y.J, Liu, Y.R, Wu, B.
Deposit date:2022-07-18
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3.
Int J Mol Sci, 24, 2023
5FBO
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BU of 5fbo by Molmil
BTK-inhibitor co-structure
Descriptor: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
Authors:Fischmann, T.O.
Deposit date:2015-12-14
Release date:2016-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.894 Å)
Cite:Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
ACS Med Chem Lett, 7, 2016
3HEK
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BU of 3hek by Molmil
HSP90 N-terminal domain in complex with 1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium
Descriptor: Heat shock protein HSP 90-alpha, PHOSPHATE ION, [(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone
Authors:Gajiwala, K.S.
Deposit date:2009-05-08
Release date:2009-09-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Solution-phase parallel synthesis of Hsp90 inhibitors
J.Comb.Chem., 11
8HFS
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BU of 8hfs by Molmil
The structure of LcnA, LciA, and the man-PTS of Lactococcus lactis
Descriptor: Bacteriocin lactococcin-A, Lactococcin-A immunity protein, Mannose-specific PTS system, ...
Authors:Wang, J.W.
Deposit date:2022-11-12
Release date:2023-02-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural Basis of the Mechanisms of Action and Immunity of Lactococcin A, a Class IId Bacteriocin.
Appl.Environ.Microbiol., 89, 2023
5YQX
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BU of 5yqx by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Xue, X, Zhang, Y, Wang, C, Song, M.
Deposit date:2017-11-08
Release date:2018-11-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.
Eur.J.Med.Chem., 152, 2018

225946

数据于2024-10-09公开中

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