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5X87
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BU of 5x87 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation L177T
Descriptor: Bestrophin, ZINC ION
Authors:Zhang, Y, Chen, S, Yang, T.
Deposit date:2017-03-01
Release date:2017-11-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Patient-specific mutations impair BESTROPHIN1's essential role in mediating Ca2+-dependent Cl-currents in human RPE.
Elife, 6, 2017
6N33
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BU of 6n33 by Molmil
Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622
Descriptor: 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
Authors:Zhang, Y.
Deposit date:2018-11-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model.
Nat Commun, 10, 2019
2N78
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BU of 2n78 by Molmil
NMR structure of IF1 from Pseudomonas aeruginosa
Descriptor: Translation initiation factor IF-1
Authors:Zhang, Y.
Deposit date:2015-09-04
Release date:2016-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:(1)H, (13)C and (15)N resonance assignments and secondary structure analysis of translation initiation factor 1 from Pseudomonas aeruginosa.
Biomol.Nmr Assign., 10, 2016
2M0G
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BU of 2m0g by Molmil
Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition
Descriptor: Splicing factor 1, Splicing factor U2AF 65 kDa subunit
Authors:Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A.
Deposit date:2012-10-25
Release date:2013-01-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition.
Nucleic Acids Res., 41, 2013
2M09
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BU of 2m09 by Molmil
Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition
Descriptor: Splicing factor 1
Authors:Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A.
Deposit date:2012-10-22
Release date:2013-01-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition.
Nucleic Acids Res., 41, 2013
5WVM
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BU of 5wvm by Molmil
Crystal structure of baeS cocrystallized with 2 mM indole
Descriptor: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
Authors:Wang, W, Zhang, Y, Rang, T, Xu, D.
Deposit date:2016-12-26
Release date:2018-01-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
5WVN
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BU of 5wvn by Molmil
Crystal structure of MBS-BaeS fusion protein
Descriptor: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
Authors:Wang, W, Zhang, Y, Ran, T, Xu, D.
Deposit date:2016-12-26
Release date:2018-01-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
5WAN
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BU of 5wan by Molmil
Crystal Structure of a flavoenzyme RutA in the pyrimidine catabolic pathway
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Pyrimidine monooxygenase RutA, ...
Authors:Zhang, Y, Mukherjee, T, Abdelwahed, S, Begley, T.P, Ealick, S.E.
Deposit date:2017-06-26
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Catalysis of a flavoenzyme-mediated amide hydrolysis.
J. Am. Chem. Soc., 132, 2010
5X21
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BU of 5x21 by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex with GpA and pseudouridimycin (PUM)
Descriptor: (1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zhang, Y, Ebright, R.
Deposit date:2017-01-29
Release date:2017-07-05
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (3.323 Å)
Cite:Antibacterial Nucleoside-Analog Inhibitor of Bacterial RNA Polymerase.
Cell, 169, 2017
5X22
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BU of 5x22 by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex with GpA and CMPcPP
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zhang, Y, Ebright, R.
Deposit date:2017-01-29
Release date:2017-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Antibacterial Nucleoside-Analog Inhibitor of Bacterial RNA Polymerase.
Cell, 169, 2017
2Q5A
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BU of 2q5a by Molmil
human Pin1 bound to L-PEPTIDE
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE, Five residue peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Noel, J.P, Zhang, Y.
Deposit date:2007-05-31
Release date:2007-06-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for high-affinity peptide inhibition of human Pin1.
Acs Chem.Biol., 2, 2007
2QCX
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BU of 2qcx by Molmil
Crystal structure of Bacillus subtilis TenA Y112F mutant complexed with formyl aminomethyl pyrimidine
Descriptor: N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE, Transcriptional activator tenA
Authors:Zhang, Y, Jenkins, A.L, Begley, T.P, Ealick, S.E.
Deposit date:2007-06-19
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutagenesis studies on TenA: A thiamin salvage enzyme from Bacillus subtilis
Bioorg.Chem., 36, 2008
3TH8
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BU of 3th8 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063
Descriptor: (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Zhu, W, Zhang, Y, Oldfield, E.
Deposit date:2011-08-18
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
8VQ4
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BU of 8vq4 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
Descriptor: (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
8VQ3
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BU of 8vq3 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
Descriptor: (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
6LK5
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BU of 6lk5 by Molmil
MLKL mutant - T357ES358D
Descriptor: Mixed lineage kinase domain-like protein
Authors:Wang, H.Y, Li, S, Zhang, Y.
Deposit date:2019-12-18
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The MLKL kinase-like domain dimerization is an indispensable step of mammalian MLKL activation in necroptosis signaling.
Cell Death Dis, 12, 2021
6LTS
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BU of 6lts by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex comprising a truncated sigma finger
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhang, Y, Ebright, R.H.
Deposit date:2020-01-23
Release date:2020-03-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LK6
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BU of 6lk6 by Molmil
MLKL mutant - T357AS358A
Descriptor: Mixed lineage kinase domain-like protein
Authors:Wang, H, Li, S, Zhang, Y.
Deposit date:2019-12-18
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The MLKL kinase-like domain dimerization is an indispensable step of mammalian MLKL activation in necroptosis signaling.
Cell Death Dis, 12, 2021
3RY0
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BU of 3ry0 by Molmil
Crystal structure of TomN, a 4-Oxalocrotonate Tautomerase homologue in Tomaymycin biosynthetic pathway
Descriptor: Putative tautomerase
Authors:Zhang, Y, Yan, W.P, Li, W.Z, Whitman, C.P.
Deposit date:2011-05-10
Release date:2011-08-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Kinetic, Crystallographic, and Mechanistic Characterization of TomN: Elucidation of a Function for a 4-Oxalocrotonate Tautomerase Homologue in the Tomaymycin Biosynthetic Pathway.
Biochemistry, 50, 2011
6MIU
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BU of 6miu by Molmil
Crystal structure of p62 ZZ domain in complex with Arg-Glu peptide
Descriptor: Sequestosome-1, Arg-Glu peptide chimera, ZINC ION
Authors:Ahn, J, Zhang, Y, Kutateladze, T.G.
Deposit date:2018-09-20
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ZZ-dependent regulation of p62/SQSTM1 in autophagy.
Nat Commun, 9, 2018
6MJ7
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BU of 6mj7 by Molmil
Crystal structure of p62 ZZ domain in complex with free arginine
Descriptor: 1,4-DIETHYLENE DIOXIDE, ARGININE, Sequestosome-1, ...
Authors:Ahn, J, Zhang, Y, Kutateladze, T.G.
Deposit date:2018-09-20
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.412 Å)
Cite:ZZ-dependent regulation of p62/SQSTM1 in autophagy.
Nat Commun, 9, 2018
3PWM
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BU of 3pwm by Molmil
HIV-1 Protease Mutant L76V with Darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, CHLORIDE ION, ...
Authors:Zhang, Y, Weber, I.T.
Deposit date:2010-12-08
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts.
Biochemistry, 50, 2011
6O1E
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BU of 6o1e by Molmil
The crystal structure of human MORC3 ATPase-CW in complex with AMPPNP
Descriptor: MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Klein, B.J, Zhang, Y, Kutateladze, T.G.
Deposit date:2019-02-19
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Mechanism for autoinhibition and activation of the MORC3 ATPase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3PWR
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BU of 3pwr by Molmil
HIV-1 Protease Mutant L76V complexed with Saquinavir
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ...
Authors:Zhang, Y, Weber, I.T.
Deposit date:2010-12-08
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts.
Biochemistry, 50, 2011
8KHF
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BU of 8khf by Molmil
Structure of the human ATP synthase bound to bedaquiline (membrane domain)
Descriptor: ATP synthase F(0) complex subunit B1, mitochondrial, ATP synthase F(0) complex subunit C1, ...
Authors:Lai, Y, Zhang, Y.
Deposit date:2023-08-21
Release date:2024-05-01
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024

224572

数据于2024-09-04公开中

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